<atom id="SO3-atom1" elementType="S" x2="-0.00165" y2="-1.0"/> <atom id="SO3-atom2" elementType="O" x2="-0.00165" y2="-0.00165"/> <atom id="SO3-atom3" elementType="O" x2="-1.0" y2="-1.0" formalCharge="-1"/> <atom id="SO3-atom4" elementType="O" x2="0.99671" y2="-1.0" formalCharge="-1"/> <bond id="SO3-bond1" atomRefs="SO3-atom4 SO3-atom1" order="1"/> <bond id="SO3-bond2" atomRefs="SO3-atom3 SO3-atom1" order="1"/> <bond id="SO3-bond3" atomRefs="SO3-atom2 SO3-atom1" order="2"/> <formula concise="O 3 S 1" formalCharge="-2"/> 80.058 S([O-])([O-])=O trioxosulfate(2-)
<atom id="WATER-atom1" elementType="O" x2="0.08287" y2="-0.19337"/> <atom id="WATER-atom2" elementType="H" x2="-1.0" y2="-0.74586"/> <atom id="WATER-atom3" elementType="H" x2="0.99448" y2="-1.0"/> <bond id="WATER-bond1" atomRefs="WATER-atom3 WATER-atom1" order="1"/> <bond id="WATER-bond2" atomRefs="WATER-atom2 WATER-atom1" order="1"/> <formula concise="H 2 O 1" formalCharge="0"/> 18.015 [OH2]
<atom id="SULFATE-atom1" elementType="O" x2="1.4" y2="0.0"/> <atom id="SULFATE-atom2" elementType="O" x2="0.0" y2="-1.4"/> <atom id="SULFATE-atom3" elementType="O" x2="2.8" y2="-1.4" formalCharge="-1"/> <atom id="SULFATE-atom4" elementType="O" x2="1.4" y2="-2.8" formalCharge="-1"/> <atom id="SULFATE-atom5" elementType="S" x2="1.4" y2="-1.4"/> <bond id="SULFATE-bond1" atomRefs="SULFATE-atom4 SULFATE-atom5" order="1"/> <bond id="SULFATE-bond2" atomRefs="SULFATE-atom3 SULFATE-atom5" order="1"/> <bond id="SULFATE-bond3" atomRefs="SULFATE-atom2 SULFATE-atom5" order="2"/> <bond id="SULFATE-bond4" atomRefs="SULFATE-atom1 SULFATE-atom5" order="2"/> <formula concise="O 4 S 1" formalCharge="-2"/> 96.058 O=S([O-])([O-])=O tetraoxosulfate(2-)
<atom id="PROTON-atom1" elementType="H" x2="0.0" y2="0.0" formalCharge="1"/> <formula concise="H 1" formalCharge="1"/> 1.008 [H+]
<atom id="ACETYL-COA-atom1" elementType="C" x2="0.89109" y2="-0.26403"/> <atom id="ACETYL-COA-atom2" elementType="O" x2="0.22112" y2="-0.25413"/> <atom id="ACETYL-COA-atom3" elementType="C" x2="0.82508" y2="-0.38944"/> <atom id="ACETYL-COA-atom4" elementType="H" x2="0.55776" y2="-0.37624"/> <atom id="ACETYL-COA-atom5" elementType="N" x2="0.61386" y2="0.0198"/> <atom id="ACETYL-COA-atom6" elementType="O" x2="-0.63696" y2="-0.42904"/> <atom id="ACETYL-COA-atom7" elementType="C" x2="-0.86469" y2="-0.09571"/> <atom id="ACETYL-COA-atom8" elementType="O" x2="-0.10891" y2="-0.25413"/> <atom id="ACETYL-COA-atom9" elementType="C" x2="0.9967" y2="0.18482"/> <atom id="ACETYL-COA-atom10" elementType="N" x2="0.45875" y2="0.26073"/> <atom id="ACETYL-COA-atom11" elementType="C" x2="-0.60066" y2="0.08911"/> <atom id="ACETYL-COA-atom12" elementType="O" x2="0.71947" y2="-0.17162"/> <atom id="ACETYL-COA-atom13" elementType="O" x2="0.17162" y2="-0.88449"/> <atom id="ACETYL-COA-atom14" elementType="C" x2="-1.0" y2="-0.61386"/> <atom id="ACETYL-COA-atom15" elementType="O" x2="0.22112" y2="0.11551"/> <atom id="ACETYL-COA-atom16" elementType="O" x2="-0.31353" y2="-0.06931"/> <atom id="ACETYL-COA-atom17" elementType="N" x2="-1.0" y2="-0.17492"/> <atom id="ACETYL-COA-atom18" elementType="C" x2="-0.47525" y2="-0.17492"/> <atom id="ACETYL-COA-atom19" elementType="C" x2="0.17162" y2="-0.69967"/> <atom id="ACETYL-COA-atom20" elementType="C" x2="-0.63696" y2="-0.61386"/> <atom id="ACETYL-COA-atom21" elementType="O" x2="0.62376" y2="-0.62046"/> <atom id="ACETYL-COA-atom22" elementType="C" x2="0.59406" y2="0.34653"/> <atom id="ACETYL-COA-atom23" elementType="N" x2="-0.44554" y2="-0.72607"/> <atom id="ACETYL-COA-atom24" elementType="C" x2="-0.60066" y2="-0.09571"/> <atom id="ACETYL-COA-atom25" elementType="N" x2="0.89109" y2="0.0264"/> <atom id="ACETYL-COA-atom26" elementType="H" x2="0.82508" y2="-0.27723"/> <atom id="ACETYL-COA-atom27" elementType="O" x2="0.80858" y2="-0.81518"/> <atom id="ACETYL-COA-atom28" elementType="O" x2="-0.10891" y2="0.11551"/> <atom id="ACETYL-COA-atom29" elementType="O" x2="0.43894" y2="-0.81518"/> <atom id="ACETYL-COA-atom30" elementType="C" x2="-0.78878" y2="-0.73267"/> <atom id="ACETYL-COA-atom31" elementType="O" x2="0.0429" y2="-0.06931"/> <atom id="ACETYL-COA-atom32" elementType="N" x2="0.59406" y2="0.53135"/> <atom id="ACETYL-COA-atom33" elementType="O" x2="-0.72937" y2="-0.35974"/> <atom id="ACETYL-COA-atom34" elementType="H" x2="0.62376" y2="-0.27723"/> <atom id="ACETYL-COA-atom35" elementType="C" x2="-0.28053" y2="-0.58416"/> <atom id="ACETYL-COA-atom36" elementType="C" x2="0.73597" y2="0.26733"/> <atom id="ACETYL-COA-atom37" elementType="H" x2="0.89109" y2="-0.37624"/> <atom id="ACETYL-COA-atom38" elementType="O" x2="0.82508" y2="-0.50165"/> <atom id="ACETYL-COA-atom39" elementType="C" x2="-0.60066" y2="-0.28053"/> <atom id="ACETYL-COA-atom40" elementType="O" x2="0.38944" y2="-0.06931"/> <atom id="ACETYL-COA-atom41" elementType="O" x2="-0.86469" y2="0.08911"/> <atom id="ACETYL-COA-atom42" elementType="N" x2="0.88119" y2="0.33003"/> <atom id="ACETYL-COA-atom43" elementType="P" x2="0.62376" y2="-0.81518"/> <atom id="ACETYL-COA-atom44" elementType="P" x2="0.22112" y2="-0.06931"/> <atom id="ACETYL-COA-atom45" elementType="C" x2="0.73597" y2="0.10891"/> <atom id="ACETYL-COA-atom46" elementType="C" x2="-0.12871" y2="-0.71287"/> <atom id="ACETYL-COA-atom47" elementType="P" x2="-0.10891" y2="-0.06931"/> <atom id="ACETYL-COA-atom48" elementType="C" x2="0.45875" y2="0.10231"/> <atom id="ACETYL-COA-atom49" elementType="C" x2="0.30693" y2="-0.57426"/> <atom id="ACETYL-COA-atom50" elementType="C" x2="-0.72937" y2="-0.17492"/> <atom id="ACETYL-COA-atom51" elementType="C" x2="0.55776" y2="-0.06931"/> <atom id="ACETYL-COA-atom52" elementType="C" x2="0.55776" y2="-0.26403"/> <atom id="ACETYL-COA-atom53" elementType="C" x2="0.62376" y2="-0.38944"/> <atom id="ACETYL-COA-atom54" elementType="S" x2="0.0264" y2="-0.57426"/> <atom id="ACETYL-COA-atom55" elementType="O" x2="0.62376" y2="-1.0"/> <bond id="ACETYL-COA-bond1" atomRefs="ACETYL-COA-atom55 ACETYL-COA-atom43" order="1"/> <bond id="ACETYL-COA-bond2" atomRefs="ACETYL-COA-atom54 ACETYL-COA-atom46" order="1"/> <bond id="ACETYL-COA-bond3" atomRefs="ACETYL-COA-atom53 ACETYL-COA-atom21" order="1"/> <bond id="ACETYL-COA-bond4" atomRefs="ACETYL-COA-atom53 ACETYL-COA-atom3" order="1"/> <bond id="ACETYL-COA-bond5" atomRefs="ACETYL-COA-atom52 ACETYL-COA-atom12" order="1"/> <bond id="ACETYL-COA-bond6" atomRefs="ACETYL-COA-atom52 ACETYL-COA-atom53" order="1"/> <bond id="ACETYL-COA-bond7" atomRefs="ACETYL-COA-atom51 ACETYL-COA-atom52" order="1"/> <bond id="ACETYL-COA-bond8" atomRefs="ACETYL-COA-atom50 ACETYL-COA-atom24" order="1"/> <bond id="ACETYL-COA-bond9" atomRefs="ACETYL-COA-atom49 ACETYL-COA-atom19" order="1"/> <bond id="ACETYL-COA-bond10" atomRefs="ACETYL-COA-atom48 ACETYL-COA-atom5" order="A"/> <bond id="ACETYL-COA-bond11" atomRefs="ACETYL-COA-atom47 ACETYL-COA-atom31" order="1"/> <bond id="ACETYL-COA-bond12" atomRefs="ACETYL-COA-atom46 ACETYL-COA-atom35" order="1"/> <bond id="ACETYL-COA-bond13" atomRefs="ACETYL-COA-atom25 ACETYL-COA-atom45" order="A"/> <bond id="ACETYL-COA-bond14" atomRefs="ACETYL-COA-atom44 ACETYL-COA-atom40" order="1"/> <bond id="ACETYL-COA-bond15" atomRefs="ACETYL-COA-atom43 ACETYL-COA-atom21" order="1"/> <bond id="ACETYL-COA-bond16" atomRefs="ACETYL-COA-atom42 ACETYL-COA-atom9" order="A"/> <bond id="ACETYL-COA-bond17" atomRefs="ACETYL-COA-atom36 ACETYL-COA-atom42" order="A"/> <bond id="ACETYL-COA-bond18" atomRefs="ACETYL-COA-atom41 ACETYL-COA-atom7" order="2"/> <bond id="ACETYL-COA-bond19" atomRefs="ACETYL-COA-atom40 ACETYL-COA-atom51" order="1"/> <bond id="ACETYL-COA-bond20" atomRefs="ACETYL-COA-atom39 ACETYL-COA-atom24" order="1"/> <bond id="ACETYL-COA-bond21" atomRefs="ACETYL-COA-atom38 ACETYL-COA-atom3" order="1"/> <bond id="ACETYL-COA-bond22" atomRefs="ACETYL-COA-atom37 ACETYL-COA-atom1" order="1"/> <bond id="ACETYL-COA-bond23" atomRefs="ACETYL-COA-atom45 ACETYL-COA-atom36" order="A"/> <bond id="ACETYL-COA-bond24" atomRefs="ACETYL-COA-atom35 ACETYL-COA-atom23" order="1"/> <bond id="ACETYL-COA-bond25" atomRefs="ACETYL-COA-atom34 ACETYL-COA-atom53" order="1"/> <bond id="ACETYL-COA-bond26" atomRefs="ACETYL-COA-atom33 ACETYL-COA-atom50" order="1"/> <bond id="ACETYL-COA-bond27" atomRefs="ACETYL-COA-atom32 ACETYL-COA-atom22" order="1"/> <bond id="ACETYL-COA-bond28" atomRefs="ACETYL-COA-atom31 ACETYL-COA-atom44" order="1"/> <bond id="ACETYL-COA-bond29" atomRefs="ACETYL-COA-atom30 ACETYL-COA-atom14" order="1"/> <bond id="ACETYL-COA-bond30" atomRefs="ACETYL-COA-atom29 ACETYL-COA-atom43" order="2"/> <bond id="ACETYL-COA-bond31" atomRefs="ACETYL-COA-atom28 ACETYL-COA-atom47" order="2"/> <bond id="ACETYL-COA-bond32" atomRefs="ACETYL-COA-atom27 ACETYL-COA-atom43" order="1"/> <bond id="ACETYL-COA-bond33" atomRefs="ACETYL-COA-atom26 ACETYL-COA-atom3" order="1"/> <bond id="ACETYL-COA-bond34" atomRefs="ACETYL-COA-atom24 ACETYL-COA-atom18" order="1"/> <bond id="ACETYL-COA-bond35" atomRefs="ACETYL-COA-atom23 ACETYL-COA-atom20" order="1"/> <bond id="ACETYL-COA-bond36" atomRefs="ACETYL-COA-atom36 ACETYL-COA-atom22" order="A"/> <bond id="ACETYL-COA-bond37" atomRefs="ACETYL-COA-atom22 ACETYL-COA-atom10" order="A"/> <bond id="ACETYL-COA-bond38" atomRefs="ACETYL-COA-atom20 ACETYL-COA-atom30" order="1"/> <bond id="ACETYL-COA-bond39" atomRefs="ACETYL-COA-atom19 ACETYL-COA-atom54" order="1"/> <bond id="ACETYL-COA-bond40" atomRefs="ACETYL-COA-atom18 ACETYL-COA-atom16" order="1"/> <bond id="ACETYL-COA-bond41" atomRefs="ACETYL-COA-atom17 ACETYL-COA-atom7" order="1"/> <bond id="ACETYL-COA-bond42" atomRefs="ACETYL-COA-atom16 ACETYL-COA-atom47" order="1"/> <bond id="ACETYL-COA-bond43" atomRefs="ACETYL-COA-atom15 ACETYL-COA-atom44" order="2"/> <bond id="ACETYL-COA-bond44" atomRefs="ACETYL-COA-atom14 ACETYL-COA-atom17" order="1"/> <bond id="ACETYL-COA-bond45" atomRefs="ACETYL-COA-atom13 ACETYL-COA-atom19" order="2"/> <bond id="ACETYL-COA-bond46" atomRefs="ACETYL-COA-atom12 ACETYL-COA-atom1" order="1"/> <bond id="ACETYL-COA-bond47" atomRefs="ACETYL-COA-atom11 ACETYL-COA-atom24" order="1"/> <bond id="ACETYL-COA-bond48" atomRefs="ACETYL-COA-atom10 ACETYL-COA-atom48" order="A"/> <bond id="ACETYL-COA-bond49" atomRefs="ACETYL-COA-atom9 ACETYL-COA-atom25" order="A"/> <bond id="ACETYL-COA-bond50" atomRefs="ACETYL-COA-atom8 ACETYL-COA-atom47" order="1"/> <bond id="ACETYL-COA-bond51" atomRefs="ACETYL-COA-atom7 ACETYL-COA-atom50" order="1"/> <bond id="ACETYL-COA-bond52" atomRefs="ACETYL-COA-atom6 ACETYL-COA-atom20" order="2"/> <bond id="ACETYL-COA-bond53" atomRefs="ACETYL-COA-atom5 ACETYL-COA-atom45" order="A"/> <bond id="ACETYL-COA-bond54" atomRefs="ACETYL-COA-atom4 ACETYL-COA-atom52" order="1"/> <bond id="ACETYL-COA-bond55" atomRefs="ACETYL-COA-atom2 ACETYL-COA-atom44" order="1"/> <bond id="ACETYL-COA-bond56" atomRefs="ACETYL-COA-atom1 ACETYL-COA-atom25" order="1"/> <bond id="ACETYL-COA-bond57" atomRefs="ACETYL-COA-atom1 ACETYL-COA-atom3" order="1"/> <formula concise="C 23 H 38 N 7 O 17 P 3 S 1" formalCharge="0"/> 809.571 [CH]3(n1(c2(c(nc1)c(N)ncn2)))(O[CH]([CH]([CH](O)3)OP(=O)(O)O)COP(O)(=O)OP(O)(=O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(C)=O)
NIL Coenzyme A (CoA) is a ubiquitous cofactor found in bacteria, plants, and animals. CoA participates in a large number of enzymatic reactions central to intermediary metabolism, including the oxidation of fatty acids, carbohydrates, and amino acids. Coenzyme A is the common acyl carrier in prokaryotic and eukaryotic cells, and is required for a multitude of reactions for both biosynthetic and degradative pathways |CITS: [16415216]|.
<atom id="CO-A-atom1" elementType="H" x2="12.5111" y2="-7.1722"/> <atom id="CO-A-atom2" elementType="H" x2="14.642" y2="-6.4841"/> <atom id="CO-A-atom3" elementType="H" x2="15.1689" y2="-7.1722"/> <atom id="CO-A-atom4" elementType="H" x2="13.038" y2="-6.4841"/> <atom id="CO-A-atom5" elementType="C" x2="3.208" y2="-6.416"/> <atom id="CO-A-atom6" elementType="C" x2="3.208" y2="-3.5512"/> <atom id="CO-A-atom7" elementType="N" x2="12.8087" y2="0.0"/> <atom id="CO-A-atom8" elementType="O" x2="2.2913" y2="-7.6991"/> <atom id="CO-A-atom9" elementType="O" x2="1.0771" y2="-3.5512"/> <atom id="CO-A-atom10" elementType="O" x2="11.6177" y2="-9.8758"/> <atom id="CO-A-atom11" elementType="O" x2="7.149" y2="-3.3451"/> <atom id="CO-A-atom12" elementType="O" x2="9.7843" y2="-3.3451"/> <atom id="CO-A-atom13" elementType="O" x2="2.1766" y2="-7.0576"/> <atom id="CO-A-atom14" elementType="O" x2="14.642" y2="-8.1803"/> <atom id="CO-A-atom15" elementType="O" x2="13.038" y2="-11.3194"/> <atom id="CO-A-atom16" elementType="O" x2="14.4816" y2="-9.8758"/> <atom id="CO-A-atom17" elementType="O" x2="7.149" y2="-6.2098"/> <atom id="CO-A-atom18" elementType="O" x2="9.7843" y2="-6.2098"/> <atom id="CO-A-atom19" elementType="S" x2="7.562" y2="-9.0048"/> <atom id="CO-A-atom20" elementType="C" x2="11.7091" y2="-3.4141"/> <atom id="CO-A-atom21" elementType="C" x2="16.0166" y2="-2.7268"/> <atom id="CO-A-atom22" elementType="C" x2="6.4392" y2="-9.8758"/> <atom id="CO-A-atom23" elementType="C" x2="5.1785" y2="-9.1195"/> <atom id="CO-A-atom24" elementType="C" x2="0.0" y2="-9.2342"/> <atom id="CO-A-atom25" elementType="C" x2="1.0538" y2="-9.899"/> <atom id="CO-A-atom26" elementType="C" x2="4.2161" y2="-5.6364"/> <atom id="CO-A-atom27" elementType="C" x2="12.5111" y2="-4.7887"/> <atom id="CO-A-atom28" elementType="N" x2="11.7091" y2="-2.1309"/> <atom id="CO-A-atom29" elementType="N" x2="12.9466" y2="-4.0781"/> <atom id="CO-A-atom30" elementType="N" x2="15.1008" y2="-1.5583"/> <atom id="CO-A-atom31" elementType="N" x2="3.8263" y2="-9.8758"/> <atom id="CO-A-atom32" elementType="N" x2="0.0" y2="-5.6364"/> <atom id="CO-A-atom33" elementType="O" x2="5.4993" y2="-4.7887"/> <atom id="CO-A-atom34" elementType="O" x2="11.1365" y2="-4.7887"/> <atom id="CO-A-atom35" elementType="O" x2="13.8176" y2="-5.5907"/> <atom id="CO-A-atom36" elementType="O" x2="13.038" y2="-8.4089"/> <atom id="CO-A-atom37" elementType="O" x2="8.3865" y2="-4.7887"/> <atom id="CO-A-atom38" elementType="C" x2="2.2913" y2="-9.1427"/> <atom id="CO-A-atom39" elementType="C" x2="1.0771" y2="-4.9948"/> <atom id="CO-A-atom40" elementType="C" x2="12.8087" y2="-1.4203"/> <atom id="CO-A-atom41" elementType="C" x2="13.9547" y2="-2.0619"/> <atom id="CO-A-atom42" elementType="C" x2="13.9547" y2="-3.3451"/> <atom id="CO-A-atom43" elementType="C" x2="2.1766" y2="-5.6364"/> <atom id="CO-A-atom44" elementType="N" x2="15.1689" y2="-4.01"/> <atom id="CO-A-atom45" elementType="C" x2="3.208" y2="-4.9948"/> <atom id="CO-A-atom46" elementType="C" x2="12.5111" y2="-6.3237"/> <atom id="CO-A-atom47" elementType="C" x2="14.642" y2="-7.3326"/> <atom id="CO-A-atom48" elementType="C" x2="15.1689" y2="-6.3237"/> <atom id="CO-A-atom49" elementType="C" x2="13.038" y2="-7.3326"/> <atom id="CO-A-atom50" elementType="P" x2="13.038" y2="-9.8758"/> <atom id="CO-A-atom51" elementType="P" x2="7.149" y2="-4.7887"/> <atom id="CO-A-atom52" elementType="P" x2="9.7843" y2="-4.7887"/> <bond id="CO-A-bond1" atomRefs="CO-A-atom47 CO-A-atom49" order="1"/> <bond id="CO-A-bond2" atomRefs="CO-A-atom47 CO-A-atom48" order="1"/> <bond id="CO-A-bond3" atomRefs="CO-A-atom46 CO-A-atom49" order="1"/> <bond id="CO-A-bond4" atomRefs="CO-A-atom48 CO-A-atom44" order="1"/> <bond id="CO-A-bond5" atomRefs="CO-A-atom43 CO-A-atom45" order="1"/> <bond id="CO-A-bond6" atomRefs="CO-A-atom42 CO-A-atom44" order="1"/> <bond id="CO-A-bond7" atomRefs="CO-A-atom42 CO-A-atom41" order="A"/> <bond id="CO-A-bond8" atomRefs="CO-A-atom41 CO-A-atom40" order="A"/> <bond id="CO-A-bond9" atomRefs="CO-A-atom39 CO-A-atom43" order="1"/> <bond id="CO-A-bond10" atomRefs="CO-A-atom37 CO-A-atom52" order="1"/> <bond id="CO-A-bond11" atomRefs="CO-A-atom37 CO-A-atom51" order="1"/> <bond id="CO-A-bond12" atomRefs="CO-A-atom36 CO-A-atom50" order="1"/> <bond id="CO-A-bond13" atomRefs="CO-A-atom49 CO-A-atom36" order="1"/> <bond id="CO-A-bond14" atomRefs="CO-A-atom35 CO-A-atom48" order="1"/> <bond id="CO-A-bond15" atomRefs="CO-A-atom35 CO-A-atom46" order="1"/> <bond id="CO-A-bond16" atomRefs="CO-A-atom34 CO-A-atom52" order="1"/> <bond id="CO-A-bond17" atomRefs="CO-A-atom33 CO-A-atom51" order="1"/> <bond id="CO-A-bond18" atomRefs="CO-A-atom32 CO-A-atom39" order="1"/> <bond id="CO-A-bond19" atomRefs="CO-A-atom31 CO-A-atom38" order="1"/> <bond id="CO-A-bond20" atomRefs="CO-A-atom30 CO-A-atom41" order="1"/> <bond id="CO-A-bond21" atomRefs="CO-A-atom29 CO-A-atom42" order="A"/> <bond id="CO-A-bond22" atomRefs="CO-A-atom40 CO-A-atom28" order="A"/> <bond id="CO-A-bond23" atomRefs="CO-A-atom46 CO-A-atom27" order="1"/> <bond id="CO-A-bond24" atomRefs="CO-A-atom27 CO-A-atom34" order="1"/> <bond id="CO-A-bond25" atomRefs="CO-A-atom26 CO-A-atom45" order="1"/> <bond id="CO-A-bond26" atomRefs="CO-A-atom26 CO-A-atom33" order="1"/> <bond id="CO-A-bond27" atomRefs="CO-A-atom25 CO-A-atom38" order="1"/> <bond id="CO-A-bond28" atomRefs="CO-A-atom24 CO-A-atom32" order="1"/> <bond id="CO-A-bond29" atomRefs="CO-A-atom24 CO-A-atom25" order="1"/> <bond id="CO-A-bond30" atomRefs="CO-A-atom23 CO-A-atom31" order="1"/> <bond id="CO-A-bond31" atomRefs="CO-A-atom22 CO-A-atom23" order="1"/> <bond id="CO-A-bond32" atomRefs="CO-A-atom21 CO-A-atom44" order="1"/> <bond id="CO-A-bond33" atomRefs="CO-A-atom21 CO-A-atom30" order="2"/> <bond id="CO-A-bond34" atomRefs="CO-A-atom20 CO-A-atom29" order="A"/> <bond id="CO-A-bond35" atomRefs="CO-A-atom28 CO-A-atom20" order="A"/> <bond id="CO-A-bond36" atomRefs="CO-A-atom19 CO-A-atom22" order="1"/> <bond id="CO-A-bond37" atomRefs="CO-A-atom18 CO-A-atom52" order="1"/> <bond id="CO-A-bond38" atomRefs="CO-A-atom17 CO-A-atom51" order="1"/> <bond id="CO-A-bond39" atomRefs="CO-A-atom16 CO-A-atom50" order="1"/> <bond id="CO-A-bond40" atomRefs="CO-A-atom15 CO-A-atom50" order="1"/> <bond id="CO-A-bond41" atomRefs="CO-A-atom47 CO-A-atom14" order="1"/> <bond id="CO-A-bond42" atomRefs="CO-A-atom13 CO-A-atom43" order="1"/> <bond id="CO-A-bond43" atomRefs="CO-A-atom12 CO-A-atom52" order="2"/> <bond id="CO-A-bond44" atomRefs="CO-A-atom11 CO-A-atom51" order="2"/> <bond id="CO-A-bond45" atomRefs="CO-A-atom10 CO-A-atom50" order="2"/> <bond id="CO-A-bond46" atomRefs="CO-A-atom9 CO-A-atom39" order="2"/> <bond id="CO-A-bond47" atomRefs="CO-A-atom8 CO-A-atom38" order="2"/> <bond id="CO-A-bond48" atomRefs="CO-A-atom7 CO-A-atom40" order="1"/> <bond id="CO-A-bond49" atomRefs="CO-A-atom6 CO-A-atom45" order="1"/> <bond id="CO-A-bond50" atomRefs="CO-A-atom5 CO-A-atom45" order="1"/> <bond id="CO-A-bond51" atomRefs="CO-A-atom4 CO-A-atom49" order="1"/> <bond id="CO-A-bond52" atomRefs="CO-A-atom3 CO-A-atom48" order="1"/> <bond id="CO-A-bond53" atomRefs="CO-A-atom2 CO-A-atom47" order="1"/> <bond id="CO-A-bond54" atomRefs="CO-A-atom1 CO-A-atom46" order="1"/> <formula concise="C 21 H 36 N 7 O 16 P 3 S 1" formalCharge="0"/> 767.534 CC(C)(C(O)C(=O)NCCC(=O)NCCS)COP(=O)(O)OP(=O)(O)OC[CH]1(O[CH]([CH](O)[CH]1OP(O)(O)=O)N2(c3(c(N=C2)c(N)ncn3)))
<atom id="CARBON-MONOXIDE-atom1" elementType="O" x2="-1.0" y2="-1.0" formalCharge="1"/> <atom id="CARBON-MONOXIDE-atom2" elementType="C" x2="0.99714285" y2="-1.0" formalCharge="-1"/> <bond id="CARBON-MONOXIDE-bond1" atomRefs="CARBON-MONOXIDE-atom2 CARBON-MONOXIDE-atom1" order="3"/> <formula concise="C 1 O 1" formalCharge="0"/> 28.01 [C-]#[O+]
corrinoid/iron-sulfur protein, methylated
<atom id="GLY-atom1" elementType="C" x2="-0.33333" y2="-0.23051"/> <atom id="GLY-atom2" elementType="N" x2="0.99668" y2="-0.2272"/> <atom id="GLY-atom3" elementType="O" x2="-1.0" y2="0.15423"/> <atom id="GLY-atom4" elementType="O" x2="-0.33333" y2="-1.0"/> <atom id="GLY-atom5" elementType="C" x2="0.33002" y2="0.15423"/> <bond id="GLY-bond1" atomRefs="GLY-atom5 GLY-atom1" order="1"/> <bond id="GLY-bond2" atomRefs="GLY-atom4 GLY-atom1" order="1"/> <bond id="GLY-bond3" atomRefs="GLY-atom3 GLY-atom1" order="2"/> <bond id="GLY-bond4" atomRefs="GLY-atom2 GLY-atom5" order="1"/> <formula concise="C 2 H 5 N 1 O 2" formalCharge="0"/> 75.067 C(=O)(O)CN
<atom id="CARBON-DIOXIDE-atom1" elementType="C" x2="-0.0013209581" y2="-1.0"/> <atom id="CARBON-DIOXIDE-atom2" elementType="O" x2="-1.0" y2="-1.0"/> <atom id="CARBON-DIOXIDE-atom3" elementType="O" x2="0.9973581" y2="-0.99735796"/> <bond id="CARBON-DIOXIDE-bond1" atomRefs="CARBON-DIOXIDE-atom3 CARBON-DIOXIDE-atom1" order="2"/> <bond id="CARBON-DIOXIDE-bond2" atomRefs="CARBON-DIOXIDE-atom2 CARBON-DIOXIDE-atom1" order="2"/> <formula concise="C 1 O 2" formalCharge="0"/> 44.01 C(=O)=O
<atom id="THF-atom1" elementType="H" x2="6.2042" y2="-6.6369"/> <atom id="THF-atom2" elementType="H" x2="0.0" y2="-2.8483"/> <atom id="THF-atom3" elementType="H" x2="7.1632" y2="-1.4542"/> <atom id="THF-atom4" elementType="N" x2="0.1037" y2="0.0"/> <atom id="THF-atom5" elementType="O" x2="15.1104" y2="-9.7116"/> <atom id="THF-atom6" elementType="O" x2="14.867" y2="-2.6596"/> <atom id="THF-atom7" elementType="O" x2="12.28" y2="-2.9038"/> <atom id="THF-atom8" elementType="O" x2="2.3729" y2="-4.2456"/> <atom id="THF-atom9" elementType="O" x2="17.1336" y2="-8.7833"/> <atom id="THF-atom10" elementType="O" x2="16.9893" y2="-3.8553"/> <atom id="THF-atom11" elementType="C" x2="10.3773" y2="-6.3201"/> <atom id="THF-atom12" elementType="C" x2="10.3773" y2="-3.9526"/> <atom id="THF-atom13" elementType="C" x2="8.9612" y2="-6.3201"/> <atom id="THF-atom14" elementType="C" x2="9.0346" y2="-3.9526"/> <atom id="THF-atom15" elementType="C" x2="15.0378" y2="-7.3201"/> <atom id="THF-atom16" elementType="C" x2="15.6476" y2="-6.1979"/> <atom id="THF-atom17" elementType="C" x2="5.96" y2="-0.854"/> <atom id="THF-atom18" elementType="C" x2="6.7653" y2="-3.5623"/> <atom id="THF-atom19" elementType="N" x2="2.3729" y2="-0.1461"/> <atom id="THF-atom20" elementType="N" x2="4.8129" y2="-0.1461"/> <atom id="THF-atom21" elementType="N" x2="13.6713" y2="-5.0997"/> <atom id="THF-atom22" elementType="N" x2="4.8129" y2="-2.8543"/> <atom id="THF-atom23" elementType="C" x2="15.7698" y2="-8.4672"/> <atom id="THF-atom24" elementType="C" x2="15.5989" y2="-3.8553"/> <atom id="THF-atom25" elementType="C" x2="12.28" y2="-4.319"/> <atom id="THF-atom26" elementType="C" x2="1.2259" y2="-0.854"/> <atom id="THF-atom27" elementType="C" x2="11.0357" y2="-5.1483"/> <atom id="THF-atom28" elementType="C" x2="8.3027" y2="-5.1244"/> <atom id="THF-atom29" elementType="C" x2="3.6172" y2="-0.854"/> <atom id="THF-atom30" elementType="C" x2="3.6172" y2="-2.171"/> <atom id="THF-atom31" elementType="C" x2="2.3729" y2="-2.8543"/> <atom id="THF-atom32" elementType="C" x2="14.9396" y2="-5.0997"/> <atom id="THF-atom33" elementType="N" x2="6.7653" y2="-5.1244"/> <atom id="THF-atom34" elementType="N" x2="1.2259" y2="-2.171"/> <atom id="THF-atom35" elementType="C" x2="5.96" y2="-2.171"/> <bond id="THF-bond1" atomRefs="THF-atom31 THF-atom34" order="A"/> <bond id="THF-bond2" atomRefs="THF-atom30 THF-atom31" order="A"/> <bond id="THF-bond3" atomRefs="THF-atom29 THF-atom30" order="A"/> <bond id="THF-bond4" atomRefs="THF-atom28 THF-atom33" order="1"/> <bond id="THF-bond5" atomRefs="THF-atom34 THF-atom26" order="A"/> <bond id="THF-bond6" atomRefs="THF-atom25 THF-atom27" order="1"/> <bond id="THF-bond7" atomRefs="THF-atom24 THF-atom32" order="1"/> <bond id="THF-bond8" atomRefs="THF-atom22 THF-atom35" order="1"/> <bond id="THF-bond9" atomRefs="THF-atom22 THF-atom30" order="1"/> <bond id="THF-bond10" atomRefs="THF-atom21 THF-atom32" order="1"/> <bond id="THF-bond11" atomRefs="THF-atom21 THF-atom25" order="1"/> <bond id="THF-bond12" atomRefs="THF-atom20 THF-atom29" order="1"/> <bond id="THF-bond13" atomRefs="THF-atom19 THF-atom29" order="A"/> <bond id="THF-bond14" atomRefs="THF-atom26 THF-atom19" order="A"/> <bond id="THF-bond15" atomRefs="THF-atom35 THF-atom18" order="1"/> <bond id="THF-bond16" atomRefs="THF-atom18 THF-atom33" order="1"/> <bond id="THF-bond17" atomRefs="THF-atom17 THF-atom35" order="1"/> <bond id="THF-bond18" atomRefs="THF-atom17 THF-atom20" order="1"/> <bond id="THF-bond19" atomRefs="THF-atom32 THF-atom16" order="1"/> <bond id="THF-bond20" atomRefs="THF-atom15 THF-atom23" order="1"/> <bond id="THF-bond21" atomRefs="THF-atom15 THF-atom16" order="1"/> <bond id="THF-bond22" atomRefs="THF-atom28 THF-atom14" order="A"/> <bond id="THF-bond23" atomRefs="THF-atom13 THF-atom28" order="A"/> <bond id="THF-bond24" atomRefs="THF-atom12 THF-atom27" order="A"/> <bond id="THF-bond25" atomRefs="THF-atom14 THF-atom12" order="A"/> <bond id="THF-bond26" atomRefs="THF-atom27 THF-atom11" order="A"/> <bond id="THF-bond27" atomRefs="THF-atom11 THF-atom13" order="A"/> <bond id="THF-bond28" atomRefs="THF-atom10 THF-atom24" order="1"/> <bond id="THF-bond29" atomRefs="THF-atom9 THF-atom23" order="1"/> <bond id="THF-bond30" atomRefs="THF-atom8 THF-atom31" order="2"/> <bond id="THF-bond31" atomRefs="THF-atom7 THF-atom25" order="2"/> <bond id="THF-bond32" atomRefs="THF-atom6 THF-atom24" order="2"/> <bond id="THF-bond33" atomRefs="THF-atom5 THF-atom23" order="2"/> <bond id="THF-bond34" atomRefs="THF-atom4 THF-atom26" order="1"/> <bond id="THF-bond35" atomRefs="THF-atom35 THF-atom3" order="1"/> <bond id="THF-bond36" atomRefs="THF-atom2 THF-atom34" order="1"/> <bond id="THF-bond37" atomRefs="THF-atom1 THF-atom33" order="1"/> <formula concise="C 19 H 23 N 7 O 6" formalCharge="0"/> 445.434 C2([CH](Nc1(c(=O)[nH]c(N)nc1N2))C[NH]c3(ccc(cc3)C(=O)NC(C(O)=O)CCC(O)=O))
<atom id="METHYLENE-THF-atom1" elementType="C" x2="-0.35787922" y2="-0.5287187"/> <atom id="METHYLENE-THF-atom2" elementType="O" x2="0.37849784" y2="-0.5699558"/> <atom id="METHYLENE-THF-atom3" elementType="C" x2="-0.622975" y2="-0.5346097"/> <atom id="METHYLENE-THF-atom4" elementType="C" x2="-0.16936672" y2="-0.97643596"/> <atom id="METHYLENE-THF-atom5" elementType="C" x2="0.18114877" y2="-0.7790869"/> <atom id="METHYLENE-THF-atom6" elementType="H" x2="-0.23711342" y2="-0.26951396"/> <atom id="METHYLENE-THF-atom7" elementType="C" x2="-0.35787922" y2="-0.38144332"/> <atom id="METHYLENE-THF-atom8" elementType="C" x2="-0.013254762" y2="-0.7260678"/> <atom id="METHYLENE-THF-atom9" elementType="O" x2="0.18114877" y2="-0.63770247"/> <atom id="METHYLENE-THF-atom10" elementType="C" x2="0.5022092" y2="-0.64359355"/> <atom id="METHYLENE-THF-atom11" elementType="N" x2="-0.87334317" y2="-0.5346097"/> <atom id="METHYLENE-THF-atom12" elementType="C" x2="-0.275405" y2="-0.65537554"/> <atom id="METHYLENE-THF-atom13" elementType="H" x2="-0.21354932" y2="-0.4874816"/> <atom id="METHYLENE-THF-atom14" elementType="C" x2="-0.013254762" y2="-0.97643596"/> <atom id="METHYLENE-THF-atom15" elementType="C" x2="0.8733431" y2="-0.84977907"/> <atom id="METHYLENE-THF-atom16" elementType="O" x2="-0.7496318" y2="-0.7496318"/> <atom id="METHYLENE-THF-atom17" elementType="N" x2="-0.49926364" y2="-0.6053019"/> <atom id="METHYLENE-THF-atom18" elementType="C" x2="-0.49926364" y2="-0.7496318"/> <atom id="METHYLENE-THF-atom19" elementType="O" x2="0.62592053" y2="-0.57290137"/> <atom id="METHYLENE-THF-atom20" elementType="C" x2="-0.622975" y2="-0.39027983"/> <atom id="METHYLENE-THF-atom21" elementType="N" x2="-0.9970545" y2="-0.31958765"/> <atom id="METHYLENE-THF-atom22" elementType="N" x2="-0.49926364" y2="-0.3166421"/> <atom id="METHYLENE-THF-atom23" elementType="N" x2="-0.3519882" y2="-0.79086894"/> <atom id="METHYLENE-THF-atom24" elementType="C" x2="0.62592053" y2="-0.84977907"/> <atom id="METHYLENE-THF-atom25" elementType="O" x2="0.8703977" y2="-1.0"/> <atom id="METHYLENE-THF-atom26" elementType="C" x2="-0.22827685" y2="-0.84977907"/> <atom id="METHYLENE-THF-atom27" elementType="N" x2="0.32842422" y2="-0.84977907"/> <atom id="METHYLENE-THF-atom28" elementType="O" x2="0.99705446" y2="-0.7849779"/> <atom id="METHYLENE-THF-atom29" elementType="C" x2="0.5022092" y2="-0.7790869"/> <atom id="METHYLENE-THF-atom30" elementType="H" x2="-1.0" y2="-0.6082474"/> <atom id="METHYLENE-THF-atom31" elementType="C" x2="0.74963176" y2="-0.7790869"/> <atom id="METHYLENE-THF-atom32" elementType="C" x2="0.05743742" y2="-0.84977907"/> <atom id="METHYLENE-THF-atom33" elementType="N" x2="-0.7496318" y2="-0.31958765"/> <atom id="METHYLENE-THF-atom34" elementType="C" x2="-0.7496318" y2="-0.6053019"/> <atom id="METHYLENE-THF-atom35" elementType="C" x2="-0.16936672" y2="-0.7260678"/> <atom id="METHYLENE-THF-atom36" elementType="H" x2="-0.21354932" y2="-0.3843888"/> <atom id="METHYLENE-THF-atom37" elementType="C" x2="-0.87334317" y2="-0.39027983"/> <bond id="METHYLENE-THF-bond1" atomRefs="METHYLENE-THF-atom37 METHYLENE-THF-atom11" order="A"/> <bond id="METHYLENE-THF-bond2" atomRefs="METHYLENE-THF-atom36 METHYLENE-THF-atom7" order="1"/> <bond id="METHYLENE-THF-bond3" atomRefs="METHYLENE-THF-atom35 METHYLENE-THF-atom8" order="A"/> <bond id="METHYLENE-THF-bond4" atomRefs="METHYLENE-THF-atom34 METHYLENE-THF-atom3" order="A"/> <bond id="METHYLENE-THF-bond5" atomRefs="METHYLENE-THF-atom33 METHYLENE-THF-atom37" order="A"/> <bond id="METHYLENE-THF-bond6" atomRefs="METHYLENE-THF-atom32 METHYLENE-THF-atom14" order="A"/> <bond id="METHYLENE-THF-bond7" atomRefs="METHYLENE-THF-atom31 METHYLENE-THF-atom24" order="1"/> <bond id="METHYLENE-THF-bond8" atomRefs="METHYLENE-THF-atom31 METHYLENE-THF-atom15" order="1"/> <bond id="METHYLENE-THF-bond9" atomRefs="METHYLENE-THF-atom30 METHYLENE-THF-atom11" order="1"/> <bond id="METHYLENE-THF-bond10" atomRefs="METHYLENE-THF-atom29 METHYLENE-THF-atom24" order="1"/> <bond id="METHYLENE-THF-bond11" atomRefs="METHYLENE-THF-atom28 METHYLENE-THF-atom15" order="2"/> <bond id="METHYLENE-THF-bond12" atomRefs="METHYLENE-THF-atom27 METHYLENE-THF-atom5" order="1"/> <bond id="METHYLENE-THF-bond13" atomRefs="METHYLENE-THF-atom27 METHYLENE-THF-atom29" order="1"/> <bond id="METHYLENE-THF-bond14" atomRefs="METHYLENE-THF-atom26 METHYLENE-THF-atom35" order="A"/> <bond id="METHYLENE-THF-bond15" atomRefs="METHYLENE-THF-atom26 METHYLENE-THF-atom23" order="1"/> <bond id="METHYLENE-THF-bond16" atomRefs="METHYLENE-THF-atom25 METHYLENE-THF-atom15" order="1"/> <bond id="METHYLENE-THF-bond17" atomRefs="METHYLENE-THF-atom22 METHYLENE-THF-atom20" order="1"/> <bond id="METHYLENE-THF-bond18" atomRefs="METHYLENE-THF-atom22 METHYLENE-THF-atom7" order="1"/> <bond id="METHYLENE-THF-bond19" atomRefs="METHYLENE-THF-atom21 METHYLENE-THF-atom37" order="1"/> <bond id="METHYLENE-THF-bond20" atomRefs="METHYLENE-THF-atom20 METHYLENE-THF-atom33" order="A"/> <bond id="METHYLENE-THF-bond21" atomRefs="METHYLENE-THF-atom19 METHYLENE-THF-atom10" order="1"/> <bond id="METHYLENE-THF-bond22" atomRefs="METHYLENE-THF-atom18 METHYLENE-THF-atom23" order="1"/> <bond id="METHYLENE-THF-bond23" atomRefs="METHYLENE-THF-atom18 METHYLENE-THF-atom17" order="1"/> <bond id="METHYLENE-THF-bond24" atomRefs="METHYLENE-THF-atom17 METHYLENE-THF-atom1" order="1"/> <bond id="METHYLENE-THF-bond25" atomRefs="METHYLENE-THF-atom16 METHYLENE-THF-atom34" order="2"/> <bond id="METHYLENE-THF-bond26" atomRefs="METHYLENE-THF-atom14 METHYLENE-THF-atom4" order="A"/> <bond id="METHYLENE-THF-bond27" atomRefs="METHYLENE-THF-atom12 METHYLENE-THF-atom23" order="1"/> <bond id="METHYLENE-THF-bond28" atomRefs="METHYLENE-THF-atom11 METHYLENE-THF-atom34" order="A"/> <bond id="METHYLENE-THF-bond29" atomRefs="METHYLENE-THF-atom10 METHYLENE-THF-atom29" order="1"/> <bond id="METHYLENE-THF-bond30" atomRefs="METHYLENE-THF-atom9 METHYLENE-THF-atom5" order="2"/> <bond id="METHYLENE-THF-bond31" atomRefs="METHYLENE-THF-atom8 METHYLENE-THF-atom32" order="A"/> <bond id="METHYLENE-THF-bond32" atomRefs="METHYLENE-THF-atom7 METHYLENE-THF-atom1" order="1"/> <bond id="METHYLENE-THF-bond33" atomRefs="METHYLENE-THF-atom6 METHYLENE-THF-atom7" order="1"/> <bond id="METHYLENE-THF-bond34" atomRefs="METHYLENE-THF-atom5 METHYLENE-THF-atom32" order="1"/> <bond id="METHYLENE-THF-bond35" atomRefs="METHYLENE-THF-atom4 METHYLENE-THF-atom26" order="A"/> <bond id="METHYLENE-THF-bond36" atomRefs="METHYLENE-THF-atom3 METHYLENE-THF-atom20" order="A"/> <bond id="METHYLENE-THF-bond37" atomRefs="METHYLENE-THF-atom3 METHYLENE-THF-atom17" order="1"/> <bond id="METHYLENE-THF-bond38" atomRefs="METHYLENE-THF-atom2 METHYLENE-THF-atom10" order="2"/> <bond id="METHYLENE-THF-bond39" atomRefs="METHYLENE-THF-atom1 METHYLENE-THF-atom13" order="1"/> <bond id="METHYLENE-THF-bond40" atomRefs="METHYLENE-THF-atom1 METHYLENE-THF-atom12" order="1"/> <formula concise="C 20 H 23 N 7 O 6" formalCharge="0"/> 457.445 C(=O)(NC(C(O)=O)CCC(=O)O)c1(ccc(cc1)N2(CN4([CH](C2)[CH2]Nc3(nc(N)[nH]c(c34)=O))))
<atom id="AMMONIA-atom1" elementType="H" x2="-1.0" y2="-1.0"/> <atom id="AMMONIA-atom2" elementType="H" x2="0.99489796" y2="-1.0"/> <atom id="AMMONIA-atom3" elementType="H" x2="-0.020408154" y2="-0.2755102"/> <atom id="AMMONIA-atom4" elementType="N" x2="-0.020408154" y2="-1.0"/> <bond id="AMMONIA-bond1" atomRefs="AMMONIA-atom4 AMMONIA-atom1" order="1"/> <bond id="AMMONIA-bond2" atomRefs="AMMONIA-atom4 AMMONIA-atom2" order="1"/> <bond id="AMMONIA-bond3" atomRefs="AMMONIA-atom3 AMMONIA-atom4" order="1"/> <formula concise="H 3 N 1" formalCharge="0"/> 17.03 [NH3]
A fatty acid is a carboxylic acid with a long unbranched aliphatic tail. Carboxylic acids as short as |FRAME:BUTYRIC_ACID| (4 carbon atoms) are considered to be fatty acids, even though fatty acids derived from natural fats and oils, such as |FRAME:CPD-195|, are usually at least 8 carbon atoms long. Most of the natural fatty acids have an even number of carbon atoms, since their biosynthesis involves acetyl-CoA, a coenzyme carrying a two-carbon-atom group. The various synonyms reflect some of the variations of names that can occur in the ENZYME db. It is not clear to what degree minor nuances should be distinguished between. A more formalized classification system of broadness of substrate specificity would definitely be useful.
<cml> <molecule id="a fatty acid" title="a fatty acid" dictRef="dicta fatty acid"> <atomArray> <atom id="a fatty acid-atom1" elementType="R" x2="0.99462366" y2="-0.123655915"/> <atom id="a fatty acid-atom2" elementType="C" x2="0.32795703" y2="0.3118279"/> <atom id="a fatty acid-atom3" elementType="C" x2="-0.26344085" y2="-0.123655915"/> <atom id="a fatty acid-atom4" elementType="O" x2="-1.0" y2="0.3118279"/> <atom id="a fatty acid-atom5" elementType="O" x2="-0.26344085" y2="-1.0"/> </atomArray> <bondArray> <bond id="a fatty acid-bond1" atomRefs="a fatty acid-atom5 a fatty acid-atom3" order="2"/> <bond id="a fatty acid-bond2" atomRefs="a fatty acid-atom4 a fatty acid-atom3" order="1"/> <bond id="a fatty acid-bond3" atomRefs="a fatty acid-atom3 a fatty acid-atom2" order="1"/> <bond id="a fatty acid-bond4" atomRefs="a fatty acid-atom2 a fatty acid-atom1" order="1"/> </bondArray> <formula concise="C 2 H 3 O 2 R 1" formalCharge="0"/> </molecule> </cml>
<atom id="UDP-atom1" elementType="H" x2="9.0551" y2="-7.0266"/> <atom id="UDP-atom2" elementType="O" x2="11.4319" y2="-8.35"/> <atom id="UDP-atom3" elementType="O" x2="9.0762" y2="-4.2669"/> <atom id="UDP-atom4" elementType="O" x2="1.3538" y2="-3.2753"/> <atom id="UDP-atom5" elementType="O" x2="4.0686" y2="-3.2753"/> <atom id="UDP-atom6" elementType="O" x2="7.336" y2="-0.0021"/> <atom id="UDP-atom7" elementType="O" x2="10.2998" y2="0.0"/> <atom id="UDP-atom8" elementType="O" x2="0.0" y2="-1.9142"/> <atom id="UDP-atom9" elementType="O" x2="1.3538" y2="-0.562"/> <atom id="UDP-atom10" elementType="O" x2="4.0645" y2="-0.562"/> <atom id="UDP-atom11" elementType="C" x2="12.6256" y2="-6.315"/> <atom id="UDP-atom12" elementType="C" x2="12.6256" y2="-4.9431"/> <atom id="UDP-atom13" elementType="C" x2="6.437" y2="-2.8193"/> <atom id="UDP-atom14" elementType="O" x2="5.4253" y2="-1.9157"/> <atom id="UDP-atom15" elementType="O" x2="8.8155" y2="-3.1849"/> <atom id="UDP-atom16" elementType="O" x2="2.7105" y2="-1.9186"/> <atom id="UDP-atom17" elementType="C" x2="11.4355" y2="-6.9934"/> <atom id="UDP-atom18" elementType="C" x2="10.2607" y2="-4.9431"/> <atom id="UDP-atom19" elementType="C" x2="8.1372" y2="-1.0969"/> <atom id="UDP-atom20" elementType="C" x2="9.5013" y2="-1.0969"/> <atom id="UDP-atom21" elementType="C" x2="7.7255" y2="-2.395"/> <atom id="UDP-atom22" elementType="C" x2="9.9208" y2="-2.395"/> <atom id="UDP-atom23" elementType="N" x2="10.2607" y2="-6.315"/> <atom id="UDP-atom24" elementType="N" x2="11.4355" y2="-4.2498"/> <atom id="UDP-atom25" elementType="P" x2="1.3538" y2="-1.9186"/> <atom id="UDP-atom26" elementType="P" x2="4.0671" y2="-1.9186"/> <bond id="UDP-bond1" atomRefs="UDP-atom22 UDP-atom24" order="1"/> <bond id="UDP-bond2" atomRefs="UDP-atom20 UDP-atom22" order="1"/> <bond id="UDP-bond3" atomRefs="UDP-atom19 UDP-atom21" order="1"/> <bond id="UDP-bond4" atomRefs="UDP-atom19 UDP-atom20" order="1"/> <bond id="UDP-bond5" atomRefs="UDP-atom18 UDP-atom24" order="A"/> <bond id="UDP-bond6" atomRefs="UDP-atom23 UDP-atom18" order="A"/> <bond id="UDP-bond7" atomRefs="UDP-atom17 UDP-atom23" order="A"/> <bond id="UDP-bond8" atomRefs="UDP-atom16 UDP-atom26" order="1"/> <bond id="UDP-bond9" atomRefs="UDP-atom16 UDP-atom25" order="1"/> <bond id="UDP-bond10" atomRefs="UDP-atom15 UDP-atom22" order="1"/> <bond id="UDP-bond11" atomRefs="UDP-atom15 UDP-atom21" order="1"/> <bond id="UDP-bond12" atomRefs="UDP-atom14 UDP-atom26" order="1"/> <bond id="UDP-bond13" atomRefs="UDP-atom21 UDP-atom13" order="1"/> <bond id="UDP-bond14" atomRefs="UDP-atom13 UDP-atom14" order="1"/> <bond id="UDP-bond15" atomRefs="UDP-atom24 UDP-atom12" order="A"/> <bond id="UDP-bond16" atomRefs="UDP-atom11 UDP-atom17" order="A"/> <bond id="UDP-bond17" atomRefs="UDP-atom12 UDP-atom11" order="A"/> <bond id="UDP-bond18" atomRefs="UDP-atom10 UDP-atom26" order="1"/> <bond id="UDP-bond19" atomRefs="UDP-atom9 UDP-atom25" order="1"/> <bond id="UDP-bond20" atomRefs="UDP-atom8 UDP-atom25" order="1"/> <bond id="UDP-bond21" atomRefs="UDP-atom20 UDP-atom7" order="1"/> <bond id="UDP-bond22" atomRefs="UDP-atom19 UDP-atom6" order="1"/> <bond id="UDP-bond23" atomRefs="UDP-atom5 UDP-atom26" order="2"/> <bond id="UDP-bond24" atomRefs="UDP-atom4 UDP-atom25" order="2"/> <bond id="UDP-bond25" atomRefs="UDP-atom3 UDP-atom18" order="2"/> <bond id="UDP-bond26" atomRefs="UDP-atom2 UDP-atom17" order="2"/> <bond id="UDP-bond27" atomRefs="UDP-atom1 UDP-atom23" order="1"/> <formula concise="C 9 H 14 N 2 O 12 P 2" formalCharge="0"/> 404.163 c1(n(c(=O)[nH]c(c1)=O)C2(OC(C(O)C2O)COP(=O)(O)OP(O)(O)=O))
<atom id="DUDP-atom1" elementType="H" x2="9.0423" y2="-7.0166"/> <atom id="DUDP-atom2" elementType="O" x2="11.4176" y2="-8.3376"/> <atom id="DUDP-atom3" elementType="O" x2="9.0649" y2="-4.2593"/> <atom id="DUDP-atom4" elementType="O" x2="1.352" y2="-3.269"/> <atom id="DUDP-atom5" elementType="O" x2="4.0635" y2="-3.269"/> <atom id="DUDP-atom6" elementType="O" x2="7.3267" y2="0.0"/> <atom id="DUDP-atom7" elementType="O" x2="1.352" y2="-0.5591"/> <atom id="DUDP-atom8" elementType="O" x2="0.0" y2="-1.9096"/> <atom id="DUDP-atom9" elementType="O" x2="4.0594" y2="-0.5591"/> <atom id="DUDP-atom10" elementType="C" x2="12.61" y2="-6.3049"/> <atom id="DUDP-atom11" elementType="C" x2="12.61" y2="-4.9348"/> <atom id="DUDP-atom12" elementType="C" x2="6.4289" y2="-2.8136"/> <atom id="DUDP-atom13" elementType="C" x2="9.4895" y2="-1.0934"/> <atom id="DUDP-atom14" elementType="O" x2="5.4185" y2="-1.9111"/> <atom id="DUDP-atom15" elementType="O" x2="8.8046" y2="-3.1787"/> <atom id="DUDP-atom16" elementType="O" x2="2.707" y2="-1.9141"/> <atom id="DUDP-atom17" elementType="C" x2="11.4213" y2="-6.9825"/> <atom id="DUDP-atom18" elementType="C" x2="10.2479" y2="-4.9348"/> <atom id="DUDP-atom19" elementType="C" x2="8.1271" y2="-1.0934"/> <atom id="DUDP-atom20" elementType="C" x2="7.7158" y2="-2.3898"/> <atom id="DUDP-atom21" elementType="C" x2="9.9083" y2="-2.3898"/> <atom id="DUDP-atom22" elementType="N" x2="10.2479" y2="-6.3049"/> <atom id="DUDP-atom23" elementType="N" x2="11.4213" y2="-4.2424"/> <atom id="DUDP-atom24" elementType="P" x2="1.352" y2="-1.9141"/> <atom id="DUDP-atom25" elementType="P" x2="4.062" y2="-1.9141"/> <bond id="DUDP-bond1" atomRefs="DUDP-atom21 DUDP-atom23" order="1"/> <bond id="DUDP-bond2" atomRefs="DUDP-atom19 DUDP-atom20" order="1"/> <bond id="DUDP-bond3" atomRefs="DUDP-atom18 DUDP-atom23" order="A"/> <bond id="DUDP-bond4" atomRefs="DUDP-atom22 DUDP-atom18" order="A"/> <bond id="DUDP-bond5" atomRefs="DUDP-atom17 DUDP-atom22" order="A"/> <bond id="DUDP-bond6" atomRefs="DUDP-atom16 DUDP-atom25" order="1"/> <bond id="DUDP-bond7" atomRefs="DUDP-atom16 DUDP-atom24" order="1"/> <bond id="DUDP-bond8" atomRefs="DUDP-atom15 DUDP-atom21" order="1"/> <bond id="DUDP-bond9" atomRefs="DUDP-atom15 DUDP-atom20" order="1"/> <bond id="DUDP-bond10" atomRefs="DUDP-atom14 DUDP-atom25" order="1"/> <bond id="DUDP-bond11" atomRefs="DUDP-atom13 DUDP-atom21" order="1"/> <bond id="DUDP-bond12" atomRefs="DUDP-atom13 DUDP-atom19" order="1"/> <bond id="DUDP-bond13" atomRefs="DUDP-atom20 DUDP-atom12" order="1"/> <bond id="DUDP-bond14" atomRefs="DUDP-atom12 DUDP-atom14" order="1"/> <bond id="DUDP-bond15" atomRefs="DUDP-atom23 DUDP-atom11" order="A"/> <bond id="DUDP-bond16" atomRefs="DUDP-atom10 DUDP-atom17" order="A"/> <bond id="DUDP-bond17" atomRefs="DUDP-atom11 DUDP-atom10" order="A"/> <bond id="DUDP-bond18" atomRefs="DUDP-atom9 DUDP-atom25" order="1"/> <bond id="DUDP-bond19" atomRefs="DUDP-atom8 DUDP-atom24" order="1"/> <bond id="DUDP-bond20" atomRefs="DUDP-atom7 DUDP-atom24" order="1"/> <bond id="DUDP-bond21" atomRefs="DUDP-atom19 DUDP-atom6" order="1"/> <bond id="DUDP-bond22" atomRefs="DUDP-atom5 DUDP-atom25" order="2"/> <bond id="DUDP-bond23" atomRefs="DUDP-atom4 DUDP-atom24" order="2"/> <bond id="DUDP-bond24" atomRefs="DUDP-atom3 DUDP-atom18" order="2"/> <bond id="DUDP-bond25" atomRefs="DUDP-atom2 DUDP-atom17" order="2"/> <bond id="DUDP-bond26" atomRefs="DUDP-atom1 DUDP-atom22" order="1"/> <formula concise="C 9 H 14 N 2 O 11 P 2" formalCharge="0"/> 388.164 c1(n(c(=O)[nH]c(c1)=O)C2(OC(C(C2)O)COP(=O)(O)OP(O)(O)=O))
RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE LARGE SUBUNIT
<atom id="CDP-atom1" elementType="N" x2="8.5918" y2="-5.0505"/> <atom id="CDP-atom2" elementType="O" x2="7.167" y2="-2.5808"/> <atom id="CDP-atom3" elementType="O" x2="4.1382" y2="-1.9811"/> <atom id="CDP-atom4" elementType="O" x2="2.4961" y2="-1.9811"/> <atom id="CDP-atom5" elementType="O" x2="6.1144" y2="-0.0013"/> <atom id="CDP-atom6" elementType="O" x2="7.907" y2="0.0"/> <atom id="CDP-atom7" elementType="O" x2="4.1357" y2="-0.3399"/> <atom id="CDP-atom8" elementType="O" x2="2.4961" y2="-0.3399"/> <atom id="CDP-atom9" elementType="C" x2="9.3138" y2="-3.8196"/> <atom id="CDP-atom10" elementType="C" x2="9.3138" y2="-2.9898"/> <atom id="CDP-atom11" elementType="C" x2="5.5707" y2="-1.7052"/> <atom id="CDP-atom12" elementType="N" x2="7.8834" y2="-3.8196"/> <atom id="CDP-atom13" elementType="O" x2="4.9587" y2="-1.1587"/> <atom id="CDP-atom14" elementType="O" x2="7.0093" y2="-1.9263"/> <atom id="CDP-atom15" elementType="O" x2="1.6773" y2="-1.1578"/> <atom id="CDP-atom16" elementType="O" x2="3.3167" y2="-1.1605"/> <atom id="CDP-atom17" elementType="C" x2="7.8834" y2="-2.9898"/> <atom id="CDP-atom18" elementType="C" x2="8.594" y2="-4.2299"/> <atom id="CDP-atom19" elementType="C" x2="6.599" y2="-0.6634"/> <atom id="CDP-atom20" elementType="C" x2="7.4241" y2="-0.6634"/> <atom id="CDP-atom21" elementType="C" x2="6.35" y2="-1.4486"/> <atom id="CDP-atom22" elementType="C" x2="7.6778" y2="-1.4486"/> <atom id="CDP-atom23" elementType="N" x2="8.594" y2="-2.5705"/> <atom id="CDP-atom24" elementType="P" x2="4.1373" y2="-1.1605"/> <atom id="CDP-atom25" elementType="P" x2="2.4961" y2="-1.1605"/> <bond id="CDP-bond1" atomRefs="CDP-atom1 CDP-atom18" order="1"/> <bond id="CDP-bond2" atomRefs="CDP-atom2 CDP-atom17" order="2"/> <bond id="CDP-bond3" atomRefs="CDP-atom3 CDP-atom24" order="2"/> <bond id="CDP-bond4" atomRefs="CDP-atom4 CDP-atom25" order="2"/> <bond id="CDP-bond5" atomRefs="CDP-atom19 CDP-atom5" order="1"/> <bond id="CDP-bond6" atomRefs="CDP-atom20 CDP-atom6" order="1"/> <bond id="CDP-bond7" atomRefs="CDP-atom7 CDP-atom24" order="1"/> <bond id="CDP-bond8" atomRefs="CDP-atom8 CDP-atom25" order="1"/> <bond id="CDP-bond9" atomRefs="CDP-atom10 CDP-atom9" order="A"/> <bond id="CDP-bond10" atomRefs="CDP-atom9 CDP-atom18" order="A"/> <bond id="CDP-bond11" atomRefs="CDP-atom23 CDP-atom10" order="A"/> <bond id="CDP-bond12" atomRefs="CDP-atom11 CDP-atom13" order="1"/> <bond id="CDP-bond13" atomRefs="CDP-atom21 CDP-atom11" order="1"/> <bond id="CDP-bond14" atomRefs="CDP-atom12 CDP-atom17" order="A"/> <bond id="CDP-bond15" atomRefs="CDP-atom18 CDP-atom12" order="A"/> <bond id="CDP-bond16" atomRefs="CDP-atom13 CDP-atom24" order="1"/> <bond id="CDP-bond17" atomRefs="CDP-atom14 CDP-atom21" order="1"/> <bond id="CDP-bond18" atomRefs="CDP-atom14 CDP-atom22" order="1"/> <bond id="CDP-bond19" atomRefs="CDP-atom15 CDP-atom25" order="1"/> <bond id="CDP-bond20" atomRefs="CDP-atom16 CDP-atom24" order="1"/> <bond id="CDP-bond21" atomRefs="CDP-atom16 CDP-atom25" order="1"/> <bond id="CDP-bond22" atomRefs="CDP-atom17 CDP-atom23" order="A"/> <bond id="CDP-bond23" atomRefs="CDP-atom19 CDP-atom20" order="1"/> <bond id="CDP-bond24" atomRefs="CDP-atom19 CDP-atom21" order="1"/> <bond id="CDP-bond25" atomRefs="CDP-atom20 CDP-atom22" order="1"/> <bond id="CDP-bond26" atomRefs="CDP-atom22 CDP-atom23" order="1"/> <formula concise="C 9 H 15 N 3 O 11 P 2" formalCharge="0"/> 403.179 c1(n(c(=O)nc(N)c1)C2(OC(C(O)C(O)2)COP(O)(=O)OP(O)(=O)O))
<atom id="DCDP-atom1" elementType="N" x2="8.5918" y2="-5.0505"/> <atom id="DCDP-atom2" elementType="O" x2="7.167" y2="-2.5808"/> <atom id="DCDP-atom3" elementType="O" x2="4.1382" y2="-1.9811"/> <atom id="DCDP-atom4" elementType="O" x2="6.1144" y2="-0.0013"/> <atom id="DCDP-atom5" elementType="O" x2="4.1357" y2="-0.3399"/> <atom id="DCDP-atom6" elementType="C" x2="9.3138" y2="-3.8196"/> <atom id="DCDP-atom7" elementType="C" x2="9.3138" y2="-2.9898"/> <atom id="DCDP-atom8" elementType="C" x2="5.5707" y2="-1.7052"/> <atom id="DCDP-atom9" elementType="N" x2="7.8834" y2="-3.8196"/> <atom id="DCDP-atom10" elementType="O" x2="4.9587" y2="-1.1587"/> <atom id="DCDP-atom11" elementType="O" x2="7.0093" y2="-1.9263"/> <atom id="DCDP-atom12" elementType="C" x2="7.8834" y2="-2.9898"/> <atom id="DCDP-atom13" elementType="C" x2="8.594" y2="-4.2299"/> <atom id="DCDP-atom14" elementType="C" x2="6.599" y2="-0.6634"/> <atom id="DCDP-atom15" elementType="C" x2="7.4241" y2="-0.6634"/> <atom id="DCDP-atom16" elementType="C" x2="6.35" y2="-1.4486"/> <atom id="DCDP-atom17" elementType="C" x2="7.6778" y2="-1.4486"/> <atom id="DCDP-atom18" elementType="N" x2="8.594" y2="-2.5705"/> <atom id="DCDP-atom19" elementType="P" x2="4.1373" y2="-1.1605"/> <atom id="DCDP-atom20" elementType="O" x2="3.3167" y2="-1.1605"/> <atom id="DCDP-atom21" elementType="O" x2="2.4917" y2="-1.9873"/> <atom id="DCDP-atom22" elementType="O" x2="2.4892" y2="-0.3373"/> <atom id="DCDP-atom23" elementType="P" x2="2.4908" y2="-1.1623"/> <atom id="DCDP-atom24" elementType="O" x2="1.6658" y2="-1.1623"/> <bond id="DCDP-bond1" atomRefs="DCDP-atom24 DCDP-atom23" order="1"/> <bond id="DCDP-bond2" atomRefs="DCDP-atom22 DCDP-atom23" order="1"/> <bond id="DCDP-bond3" atomRefs="DCDP-atom21 DCDP-atom23" order="2"/> <bond id="DCDP-bond4" atomRefs="DCDP-atom20 DCDP-atom23" order="1"/> <bond id="DCDP-bond5" atomRefs="DCDP-atom1 DCDP-atom13" order="1"/> <bond id="DCDP-bond6" atomRefs="DCDP-atom2 DCDP-atom12" order="2"/> <bond id="DCDP-bond7" atomRefs="DCDP-atom3 DCDP-atom19" order="2"/> <bond id="DCDP-bond8" atomRefs="DCDP-atom14 DCDP-atom4" order="1"/> <bond id="DCDP-bond9" atomRefs="DCDP-atom5 DCDP-atom19" order="1"/> <bond id="DCDP-bond10" atomRefs="DCDP-atom7 DCDP-atom6" order="A"/> <bond id="DCDP-bond11" atomRefs="DCDP-atom6 DCDP-atom13" order="A"/> <bond id="DCDP-bond12" atomRefs="DCDP-atom18 DCDP-atom7" order="A"/> <bond id="DCDP-bond13" atomRefs="DCDP-atom8 DCDP-atom10" order="1"/> <bond id="DCDP-bond14" atomRefs="DCDP-atom16 DCDP-atom8" order="1"/> <bond id="DCDP-bond15" atomRefs="DCDP-atom9 DCDP-atom12" order="A"/> <bond id="DCDP-bond16" atomRefs="DCDP-atom13 DCDP-atom9" order="A"/> <bond id="DCDP-bond17" atomRefs="DCDP-atom10 DCDP-atom19" order="1"/> <bond id="DCDP-bond18" atomRefs="DCDP-atom11 DCDP-atom16" order="1"/> <bond id="DCDP-bond19" atomRefs="DCDP-atom11 DCDP-atom17" order="1"/> <bond id="DCDP-bond20" atomRefs="DCDP-atom20 DCDP-atom19" order="1"/> <bond id="DCDP-bond21" atomRefs="DCDP-atom12 DCDP-atom18" order="A"/> <bond id="DCDP-bond22" atomRefs="DCDP-atom14 DCDP-atom15" order="1"/> <bond id="DCDP-bond23" atomRefs="DCDP-atom14 DCDP-atom16" order="1"/> <bond id="DCDP-bond24" atomRefs="DCDP-atom15 DCDP-atom17" order="1"/> <bond id="DCDP-bond25" atomRefs="DCDP-atom17 DCDP-atom18" order="1"/> <formula concise="C 9 H 15 N 3 O 10 P 2" formalCharge="0"/> 387.179 c1(n(c(=O)nc(N)c1)C2(OC(C(O)C2)COP(O)(=O)OP(O)(O)=O))
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<atom id="DGDP-atom1" elementType="N" x2="3.6108" y2="-2.7704"/> <atom id="DGDP-atom2" elementType="O" x2="5.034" y2="-5.242"/> <atom id="DGDP-atom3" elementType="O" x2="0.8201" y2="-1.9828"/> <atom id="DGDP-atom4" elementType="O" x2="2.4647" y2="-1.9828"/> <atom id="DGDP-atom5" elementType="O" x2="4.4441" y2="0.0"/> <atom id="DGDP-atom6" elementType="O" x2="0.0" y2="-1.1583"/> <atom id="DGDP-atom7" elementType="O" x2="0.8201" y2="-0.3391"/> <atom id="DGDP-atom8" elementType="O" x2="2.4623" y2="-0.3391"/> <atom id="DGDP-atom9" elementType="C" x2="7.0299" y2="-3.5893"/> <atom id="DGDP-atom10" elementType="C" x2="3.8995" y2="-1.7066"/> <atom id="DGDP-atom11" elementType="C" x2="5.7558" y2="-0.6632"/> <atom id="DGDP-atom12" elementType="N" x2="6.5482" y2="-4.2647"/> <atom id="DGDP-atom13" elementType="N" x2="4.3246" y2="-4.0092"/> <atom id="DGDP-atom14" elementType="O" x2="3.2866" y2="-1.1592"/> <atom id="DGDP-atom15" elementType="O" x2="5.3404" y2="-1.928"/> <atom id="DGDP-atom16" elementType="O" x2="1.642" y2="-1.161"/> <atom id="DGDP-atom17" elementType="C" x2="4.3246" y2="-3.1781"/> <atom id="DGDP-atom18" elementType="C" x2="5.0363" y2="-4.4201"/> <atom id="DGDP-atom19" elementType="C" x2="5.7572" y2="-4.0092"/> <atom id="DGDP-atom20" elementType="C" x2="5.7572" y2="-3.1781"/> <atom id="DGDP-atom21" elementType="C" x2="4.9295" y2="-0.6632"/> <atom id="DGDP-atom22" elementType="C" x2="4.6801" y2="-1.4496"/> <atom id="DGDP-atom23" elementType="C" x2="6.01" y2="-1.4496"/> <atom id="DGDP-atom24" elementType="N" x2="6.5462" y2="-2.9298"/> <atom id="DGDP-atom25" elementType="P" x2="0.8201" y2="-1.161"/> <atom id="DGDP-atom26" elementType="P" x2="2.4638" y2="-1.161"/> <atom id="DGDP-atom27" elementType="N" x2="5.0363" y2="-2.758"/> <atom id="DGDP-atom28" elementType="H" x2="3.6101" y2="-4.4217"/> <bond id="DGDP-bond1" atomRefs="DGDP-atom13 DGDP-atom28" order="1"/> <bond id="DGDP-bond2" atomRefs="DGDP-atom23 DGDP-atom24" order="1"/> <bond id="DGDP-bond3" atomRefs="DGDP-atom21 DGDP-atom22" order="1"/> <bond id="DGDP-bond4" atomRefs="DGDP-atom20 DGDP-atom24" order="A"/> <bond id="DGDP-bond5" atomRefs="DGDP-atom19 DGDP-atom20" order="A"/> <bond id="DGDP-bond6" atomRefs="DGDP-atom19 DGDP-atom18" order="A"/> <bond id="DGDP-bond7" atomRefs="DGDP-atom16 DGDP-atom26" order="1"/> <bond id="DGDP-bond8" atomRefs="DGDP-atom16 DGDP-atom25" order="1"/> <bond id="DGDP-bond9" atomRefs="DGDP-atom15 DGDP-atom23" order="1"/> <bond id="DGDP-bond10" atomRefs="DGDP-atom15 DGDP-atom22" order="1"/> <bond id="DGDP-bond11" atomRefs="DGDP-atom14 DGDP-atom26" order="1"/> <bond id="DGDP-bond12" atomRefs="DGDP-atom18 DGDP-atom13" order="A"/> <bond id="DGDP-bond13" atomRefs="DGDP-atom13 DGDP-atom17" order="A"/> <bond id="DGDP-bond14" atomRefs="DGDP-atom27 DGDP-atom20" order="A"/> <bond id="DGDP-bond15" atomRefs="DGDP-atom17 DGDP-atom27" order="A"/> <bond id="DGDP-bond16" atomRefs="DGDP-atom12 DGDP-atom19" order="A"/> <bond id="DGDP-bond17" atomRefs="DGDP-atom11 DGDP-atom23" order="1"/> <bond id="DGDP-bond18" atomRefs="DGDP-atom11 DGDP-atom21" order="1"/> <bond id="DGDP-bond19" atomRefs="DGDP-atom22 DGDP-atom10" order="1"/> <bond id="DGDP-bond20" atomRefs="DGDP-atom10 DGDP-atom14" order="1"/> <bond id="DGDP-bond21" atomRefs="DGDP-atom24 DGDP-atom9" order="A"/> <bond id="DGDP-bond22" atomRefs="DGDP-atom9 DGDP-atom12" order="A"/> <bond id="DGDP-bond23" atomRefs="DGDP-atom8 DGDP-atom26" order="1"/> <bond id="DGDP-bond24" atomRefs="DGDP-atom7 DGDP-atom25" order="1"/> <bond id="DGDP-bond25" atomRefs="DGDP-atom6 DGDP-atom25" order="1"/> <bond id="DGDP-bond26" atomRefs="DGDP-atom21 DGDP-atom5" order="1"/> <bond id="DGDP-bond27" atomRefs="DGDP-atom4 DGDP-atom26" order="2"/> <bond id="DGDP-bond28" atomRefs="DGDP-atom3 DGDP-atom25" order="2"/> <bond id="DGDP-bond29" atomRefs="DGDP-atom2 DGDP-atom18" order="2"/> <bond id="DGDP-bond30" atomRefs="DGDP-atom1 DGDP-atom17" order="1"/> <formula concise="C 10 H 15 N 5 O 10 P 2" formalCharge="0"/> 427.203 C(OP(=O)(O)OP(O)(O)=O)C1(OC(CC1O)n2(c3(c(nc2)c(=O)[nH]c(n3)N)))
<atom id="ADP-atom1" elementType="O" x2="5.313" y2="-3.3049"/> <atom id="ADP-atom2" elementType="O" x2="7.2891" y2="-1.3253"/> <atom id="ADP-atom3" elementType="O" x2="5.3105" y2="-1.6639"/> <atom id="ADP-atom4" elementType="C" x2="9.9778" y2="-4.7867"/> <atom id="ADP-atom5" elementType="C" x2="6.7454" y2="-3.0291"/> <atom id="ADP-atom6" elementType="N" x2="9.4969" y2="-5.4609"/> <atom id="ADP-atom7" elementType="N" x2="7.9875" y2="-3.9567"/> <atom id="ADP-atom8" elementType="O" x2="6.1335" y2="-2.4826"/> <atom id="ADP-atom9" elementType="O" x2="8.1839" y2="-3.2502"/> <atom id="ADP-atom10" elementType="C" x2="7.2769" y2="-4.3761"/> <atom id="ADP-atom11" elementType="C" x2="7.9875" y2="-5.6161"/> <atom id="ADP-atom12" elementType="C" x2="8.7072" y2="-5.2058"/> <atom id="ADP-atom13" elementType="C" x2="8.7072" y2="-4.3761"/> <atom id="ADP-atom14" elementType="C" x2="7.5247" y2="-2.7725"/> <atom id="ADP-atom15" elementType="C" x2="7.7737" y2="-1.9874"/> <atom id="ADP-atom16" elementType="C" x2="8.5987" y2="-1.9874"/> <atom id="ADP-atom17" elementType="C" x2="8.8524" y2="-2.7725"/> <atom id="ADP-atom18" elementType="N" x2="7.2769" y2="-5.2058"/> <atom id="ADP-atom19" elementType="N" x2="9.4949" y2="-4.1282"/> <atom id="ADP-atom20" elementType="P" x2="5.3121" y2="-2.4844"/> <atom id="ADP-atom21" elementType="N" x2="7.9852" y2="-6.4411"/> <atom id="ADP-atom22" elementType="O" x2="9.0842" y2="-1.3204"/> <atom id="ADP-atom23" elementType="O" x2="4.4916" y2="-2.4844"/> <atom id="ADP-atom24" elementType="O" x2="3.6666" y2="-3.3112"/> <atom id="ADP-atom25" elementType="O" x2="3.6641" y2="-1.6612"/> <atom id="ADP-atom26" elementType="P" x2="3.6657" y2="-2.4862"/> <atom id="ADP-atom27" elementType="O" x2="2.8407" y2="-2.4862"/> <bond id="ADP-bond1" atomRefs="ADP-atom27 ADP-atom26" order="1"/> <bond id="ADP-bond2" atomRefs="ADP-atom25 ADP-atom26" order="1"/> <bond id="ADP-bond3" atomRefs="ADP-atom24 ADP-atom26" order="2"/> <bond id="ADP-bond4" atomRefs="ADP-atom23 ADP-atom26" order="1"/> <bond id="ADP-bond5" atomRefs="ADP-atom16 ADP-atom22" order="1"/> <bond id="ADP-bond6" atomRefs="ADP-atom21 ADP-atom11" order="1"/> <bond id="ADP-bond7" atomRefs="ADP-atom1 ADP-atom20" order="2"/> <bond id="ADP-bond8" atomRefs="ADP-atom15 ADP-atom2" order="1"/> <bond id="ADP-bond9" atomRefs="ADP-atom3 ADP-atom20" order="1"/> <bond id="ADP-bond10" atomRefs="ADP-atom6 ADP-atom4" order="A"/> <bond id="ADP-bond11" atomRefs="ADP-atom4 ADP-atom19" order="A"/> <bond id="ADP-bond12" atomRefs="ADP-atom5 ADP-atom8" order="1"/> <bond id="ADP-bond13" atomRefs="ADP-atom14 ADP-atom5" order="1"/> <bond id="ADP-bond14" atomRefs="ADP-atom12 ADP-atom6" order="A"/> <bond id="ADP-bond15" atomRefs="ADP-atom10 ADP-atom7" order="A"/> <bond id="ADP-bond16" atomRefs="ADP-atom7 ADP-atom13" order="A"/> <bond id="ADP-bond17" atomRefs="ADP-atom8 ADP-atom20" order="1"/> <bond id="ADP-bond18" atomRefs="ADP-atom9 ADP-atom14" order="1"/> <bond id="ADP-bond19" atomRefs="ADP-atom9 ADP-atom17" order="1"/> <bond id="ADP-bond20" atomRefs="ADP-atom23 ADP-atom20" order="1"/> <bond id="ADP-bond21" atomRefs="ADP-atom18 ADP-atom10" order="A"/> <bond id="ADP-bond22" atomRefs="ADP-atom12 ADP-atom11" order="A"/> <bond id="ADP-bond23" atomRefs="ADP-atom11 ADP-atom18" order="A"/> <bond id="ADP-bond24" atomRefs="ADP-atom13 ADP-atom12" order="A"/> <bond id="ADP-bond25" atomRefs="ADP-atom19 ADP-atom13" order="A"/> <bond id="ADP-bond26" atomRefs="ADP-atom14 ADP-atom15" order="1"/> <bond id="ADP-bond27" atomRefs="ADP-atom15 ADP-atom16" order="1"/> <bond id="ADP-bond28" atomRefs="ADP-atom16 ADP-atom17" order="1"/> <bond id="ADP-bond29" atomRefs="ADP-atom17 ADP-atom19" order="1"/> <formula concise="C 10 H 15 N 5 O 10 P 2" formalCharge="-3"/> 427.203 C(OP(O)(=O)OP(O)(O)=O)C1(OC(C(O)C(O)1)n2(c3(c(nc2)c(N)ncn3)))
<atom id="DADP-atom1" elementType="O" x2="5.313" y2="-3.3049"/> <atom id="DADP-atom2" elementType="O" x2="3.6711" y2="-3.3049"/> <atom id="DADP-atom3" elementType="O" x2="7.2891" y2="-1.3253"/> <atom id="DADP-atom4" elementType="O" x2="5.3105" y2="-1.6639"/> <atom id="DADP-atom5" elementType="O" x2="3.6711" y2="-1.6639"/> <atom id="DADP-atom6" elementType="C" x2="9.9778" y2="-4.7867"/> <atom id="DADP-atom7" elementType="C" x2="6.7454" y2="-3.0291"/> <atom id="DADP-atom8" elementType="N" x2="9.4969" y2="-5.4609"/> <atom id="DADP-atom9" elementType="N" x2="7.9875" y2="-3.9567"/> <atom id="DADP-atom10" elementType="O" x2="6.1335" y2="-2.4826"/> <atom id="DADP-atom11" elementType="O" x2="8.1839" y2="-3.2502"/> <atom id="DADP-atom12" elementType="O" x2="4.4916" y2="-2.4844"/> <atom id="DADP-atom13" elementType="C" x2="7.2769" y2="-4.3761"/> <atom id="DADP-atom14" elementType="C" x2="7.9875" y2="-5.6161"/> <atom id="DADP-atom15" elementType="C" x2="8.7072" y2="-5.2058"/> <atom id="DADP-atom16" elementType="C" x2="8.7072" y2="-4.3761"/> <atom id="DADP-atom17" elementType="C" x2="7.5247" y2="-2.7725"/> <atom id="DADP-atom18" elementType="C" x2="7.7737" y2="-1.9874"/> <atom id="DADP-atom19" elementType="C" x2="8.5987" y2="-1.9874"/> <atom id="DADP-atom20" elementType="C" x2="8.8524" y2="-2.7725"/> <atom id="DADP-atom21" elementType="N" x2="7.2769" y2="-5.2058"/> <atom id="DADP-atom22" elementType="N" x2="9.4949" y2="-4.1282"/> <atom id="DADP-atom23" elementType="P" x2="5.3121" y2="-2.4844"/> <atom id="DADP-atom24" elementType="P" x2="3.6711" y2="-2.4844"/> <atom id="DADP-atom25" elementType="O" x2="2.8523" y2="-2.4817"/> <atom id="DADP-atom26" elementType="N" x2="7.9852" y2="-6.4411"/> <bond id="DADP-bond1" atomRefs="DADP-atom26 DADP-atom14" order="1"/> <bond id="DADP-bond2" atomRefs="DADP-atom1 DADP-atom23" order="2"/> <bond id="DADP-bond3" atomRefs="DADP-atom2 DADP-atom24" order="2"/> <bond id="DADP-bond4" atomRefs="DADP-atom18 DADP-atom3" order="1"/> <bond id="DADP-bond5" atomRefs="DADP-atom4 DADP-atom23" order="1"/> <bond id="DADP-bond6" atomRefs="DADP-atom5 DADP-atom24" order="1"/> <bond id="DADP-bond7" atomRefs="DADP-atom8 DADP-atom6" order="A"/> <bond id="DADP-bond8" atomRefs="DADP-atom6 DADP-atom22" order="A"/> <bond id="DADP-bond9" atomRefs="DADP-atom7 DADP-atom10" order="1"/> <bond id="DADP-bond10" atomRefs="DADP-atom17 DADP-atom7" order="1"/> <bond id="DADP-bond11" atomRefs="DADP-atom15 DADP-atom8" order="A"/> <bond id="DADP-bond12" atomRefs="DADP-atom13 DADP-atom9" order="A"/> <bond id="DADP-bond13" atomRefs="DADP-atom9 DADP-atom16" order="A"/> <bond id="DADP-bond14" atomRefs="DADP-atom10 DADP-atom23" order="1"/> <bond id="DADP-bond15" atomRefs="DADP-atom11 DADP-atom17" order="1"/> <bond id="DADP-bond16" atomRefs="DADP-atom11 DADP-atom20" order="1"/> <bond id="DADP-bond17" atomRefs="DADP-atom25 DADP-atom24" order="1"/> <bond id="DADP-bond18" atomRefs="DADP-atom12 DADP-atom23" order="1"/> <bond id="DADP-bond19" atomRefs="DADP-atom12 DADP-atom24" order="1"/> <bond id="DADP-bond20" atomRefs="DADP-atom21 DADP-atom13" order="A"/> <bond id="DADP-bond21" atomRefs="DADP-atom15 DADP-atom14" order="A"/> <bond id="DADP-bond22" atomRefs="DADP-atom14 DADP-atom21" order="A"/> <bond id="DADP-bond23" atomRefs="DADP-atom16 DADP-atom15" order="A"/> <bond id="DADP-bond24" atomRefs="DADP-atom22 DADP-atom16" order="A"/> <bond id="DADP-bond25" atomRefs="DADP-atom17 DADP-atom18" order="1"/> <bond id="DADP-bond26" atomRefs="DADP-atom18 DADP-atom19" order="1"/> <bond id="DADP-bond27" atomRefs="DADP-atom19 DADP-atom20" order="1"/> <bond id="DADP-bond28" atomRefs="DADP-atom20 DADP-atom22" order="1"/> <formula concise="C 10 H 15 N 5 O 9 P 2" formalCharge="0"/> 411.204 C(OP(O)(=O)OP(O)(=O)O)C1(OC(CC(O)1)n2(c3(c(nc2)c(N)ncn3))) 2'-deoxyadenosine 5'-(trihydrogen diphosphate)
(3R)-3-hydroxyacyl-[acyl-carrier protein]
3-hydroxydecanoyl-[acyl-carrier protein] dehydratase
trans-2,3-dehydroacyl-[acyl-carrier protein]
Nicotinamide adenine dinucleotide (NAD) and its phosphorylated derivative, nicotinamide adenine dinucleotide phosphate (NADP) are two of the most important coenzymes in redox reactions in the cell. Generally, NAD is involved in catabolic reactions, while NADP is involved in anabolic reactions. Because of the positive charge on the nitrogen atom in the nicotinamide ring, the oxidized forms of these compounds are often depicted as NAD+ and NADP+, respectively. Nicotinamide adenine dinucleotide (NAD) and its phosphorylated derivative, nicotinamide adenine dinucleotide phosphate (NADP) are two of the most important coenzymes in redox reactions in the cell. Generally, NAD is involved in catabolic reactions, while NADP is involved in anabolic reactions. Because of the positive charge on the nitrogen atom in the nicotinamide ring, the oxidized forms of these compounds are often depicted as NAD+ and NADP+, respectively.
<atom id="NADP-atom1" elementType="O" x2="5.313" y2="-3.3049"/> <atom id="NADP-atom2" elementType="O" x2="7.2891" y2="-1.3253"/> <atom id="NADP-atom3" elementType="O" x2="5.3105" y2="-1.6639"/> <atom id="NADP-atom4" elementType="C" x2="9.9778" y2="-4.7867"/> <atom id="NADP-atom5" elementType="C" x2="6.7454" y2="-3.0291"/> <atom id="NADP-atom6" elementType="N" x2="9.4969" y2="-5.4609"/> <atom id="NADP-atom7" elementType="N" x2="7.9875" y2="-3.9567"/> <atom id="NADP-atom8" elementType="O" x2="6.1335" y2="-2.4826"/> <atom id="NADP-atom9" elementType="O" x2="8.1839" y2="-3.2502"/> <atom id="NADP-atom10" elementType="C" x2="7.2769" y2="-4.3761"/> <atom id="NADP-atom11" elementType="C" x2="7.9875" y2="-5.6161"/> <atom id="NADP-atom12" elementType="C" x2="8.7072" y2="-5.2058"/> <atom id="NADP-atom13" elementType="C" x2="8.7072" y2="-4.3761"/> <atom id="NADP-atom14" elementType="C" x2="7.5247" y2="-2.7725"/> <atom id="NADP-atom15" elementType="C" x2="7.7737" y2="-1.9874"/> <atom id="NADP-atom16" elementType="C" x2="8.5987" y2="-1.9874"/> <atom id="NADP-atom17" elementType="C" x2="8.8524" y2="-2.7725"/> <atom id="NADP-atom18" elementType="N" x2="7.2769" y2="-5.2058"/> <atom id="NADP-atom19" elementType="N" x2="9.4949" y2="-4.1282"/> <atom id="NADP-atom20" elementType="P" x2="5.3121" y2="-2.4844"/> <atom id="NADP-atom21" elementType="N" x2="7.9852" y2="-6.4411"/> <atom id="NADP-atom22" elementType="O" x2="4.4916" y2="-2.4844"/> <atom id="NADP-atom23" elementType="O" x2="3.6666" y2="-3.3112"/> <atom id="NADP-atom24" elementType="O" x2="3.6641" y2="-1.6612"/> <atom id="NADP-atom25" elementType="P" x2="3.6657" y2="-2.4862"/> <atom id="NADP-atom26" elementType="O" x2="9.0842" y2="-1.3204"/> <atom id="NADP-atom27" elementType="P" x2="9.9092" y2="-1.3204"/> <atom id="NADP-atom28" elementType="O" x2="9.9092" y2="-2.1454"/> <atom id="NADP-atom29" elementType="O" x2="10.7342" y2="-1.3204"/> <atom id="NADP-atom30" elementType="O" x2="9.9092" y2="-0.4954"/> <atom id="NADP-atom31" elementType="C" x2="1.4118" y2="-2.4811"/> <atom id="NADP-atom32" elementType="C" x2="0.0769" y2="-2.4811"/> <atom id="NADP-atom33" elementType="C" x2="0.3318" y2="-1.6965"/> <atom id="NADP-atom34" elementType="C" x2="1.1568" y2="-1.6965"/> <atom id="NADP-atom35" elementType="O" x2="0.7443" y2="-2.966"/> <atom id="NADP-atom36" elementType="O" x2="-0.1531" y2="-1.0291"/> <atom id="NADP-atom37" elementType="O" x2="1.6418" y2="-1.0291"/> <atom id="NADP-atom38" elementType="C" x2="-0.7077" y2="-3.561"/> <atom id="NADP-atom39" elementType="C" x2="-1.4222" y2="-3.9735"/> <atom id="NADP-atom40" elementType="C" x2="-2.1367" y2="-3.561"/> <atom id="NADP-atom41" elementType="C" x2="-2.1367" y2="-2.736"/> <atom id="NADP-atom42" elementType="C" x2="-1.4222" y2="-2.3235"/> <atom id="NADP-atom43" elementType="C" x2="-2.8511" y2="-2.3235"/> <atom id="NADP-atom44" elementType="O" x2="-2.8511" y2="-1.4985"/> <atom id="NADP-atom45" elementType="N" x2="-3.5656" y2="-2.736"/> <atom id="NADP-atom46" elementType="N" x2="-0.7077" y2="-2.736" formalCharge="1"/> <atom id="NADP-atom47" elementType="C" x2="2.1248" y2="-2.8961"/> <atom id="NADP-atom48" elementType="O" x2="2.8407" y2="-2.4862"/> <bond id="NADP-bond1" atomRefs="NADP-atom47 NADP-atom48" order="1"/> <bond id="NADP-bond2" atomRefs="NADP-atom31 NADP-atom47" order="1"/> <bond id="NADP-bond3" atomRefs="NADP-atom43 NADP-atom45" order="1"/> <bond id="NADP-bond4" atomRefs="NADP-atom43 NADP-atom44" order="2"/> <bond id="NADP-bond5" atomRefs="NADP-atom41 NADP-atom43" order="1"/> <bond id="NADP-bond6" atomRefs="NADP-atom42 NADP-atom41" order="A"/> <bond id="NADP-bond7" atomRefs="NADP-atom41 NADP-atom40" order="A"/> <bond id="NADP-bond8" atomRefs="NADP-atom40 NADP-atom39" order="A"/> <bond id="NADP-bond9" atomRefs="NADP-atom39 NADP-atom38" order="A"/> <bond id="NADP-bond10" atomRefs="NADP-atom38 NADP-atom46" order="A"/> <bond id="NADP-bond11" atomRefs="NADP-atom46 NADP-atom42" order="A"/> <bond id="NADP-bond12" atomRefs="NADP-atom34 NADP-atom37" order="1"/> <bond id="NADP-bond13" atomRefs="NADP-atom33 NADP-atom36" order="1"/> <bond id="NADP-bond14" atomRefs="NADP-atom32 NADP-atom46" order="1"/> <bond id="NADP-bond15" atomRefs="NADP-atom33 NADP-atom34" order="1"/> <bond id="NADP-bond16" atomRefs="NADP-atom32 NADP-atom33" order="1"/> <bond id="NADP-bond17" atomRefs="NADP-atom35 NADP-atom32" order="1"/> <bond id="NADP-bond18" atomRefs="NADP-atom35 NADP-atom31" order="1"/> <bond id="NADP-bond19" atomRefs="NADP-atom34 NADP-atom31" order="1"/> <bond id="NADP-bond20" atomRefs="NADP-atom27 NADP-atom28" order="2"/> <bond id="NADP-bond21" atomRefs="NADP-atom27 NADP-atom30" order="1"/> <bond id="NADP-bond22" atomRefs="NADP-atom27 NADP-atom29" order="1"/> <bond id="NADP-bond23" atomRefs="NADP-atom26 NADP-atom27" order="1"/> <bond id="NADP-bond24" atomRefs="NADP-atom48 NADP-atom25" order="1"/> <bond id="NADP-bond25" atomRefs="NADP-atom24 NADP-atom25" order="1"/> <bond id="NADP-bond26" atomRefs="NADP-atom23 NADP-atom25" order="2"/> <bond id="NADP-bond27" atomRefs="NADP-atom22 NADP-atom25" order="1"/> <bond id="NADP-bond28" atomRefs="NADP-atom16 NADP-atom26" order="1"/> <bond id="NADP-bond29" atomRefs="NADP-atom21 NADP-atom11" order="1"/> <bond id="NADP-bond30" atomRefs="NADP-atom1 NADP-atom20" order="2"/> <bond id="NADP-bond31" atomRefs="NADP-atom15 NADP-atom2" order="1"/> <bond id="NADP-bond32" atomRefs="NADP-atom3 NADP-atom20" order="1"/> <bond id="NADP-bond33" atomRefs="NADP-atom6 NADP-atom4" order="A"/> <bond id="NADP-bond34" atomRefs="NADP-atom4 NADP-atom19" order="A"/> <bond id="NADP-bond35" atomRefs="NADP-atom5 NADP-atom8" order="1"/> <bond id="NADP-bond36" atomRefs="NADP-atom14 NADP-atom5" order="1"/> <bond id="NADP-bond37" atomRefs="NADP-atom12 NADP-atom6" order="A"/> <bond id="NADP-bond38" atomRefs="NADP-atom10 NADP-atom7" order="A"/> <bond id="NADP-bond39" atomRefs="NADP-atom7 NADP-atom13" order="A"/> <bond id="NADP-bond40" atomRefs="NADP-atom8 NADP-atom20" order="1"/> <bond id="NADP-bond41" atomRefs="NADP-atom9 NADP-atom14" order="1"/> <bond id="NADP-bond42" atomRefs="NADP-atom9 NADP-atom17" order="1"/> <bond id="NADP-bond43" atomRefs="NADP-atom22 NADP-atom20" order="1"/> <bond id="NADP-bond44" atomRefs="NADP-atom18 NADP-atom10" order="A"/> <bond id="NADP-bond45" atomRefs="NADP-atom12 NADP-atom11" order="A"/> <bond id="NADP-bond46" atomRefs="NADP-atom11 NADP-atom18" order="A"/> <bond id="NADP-bond47" atomRefs="NADP-atom13 NADP-atom12" order="A"/> <bond id="NADP-bond48" atomRefs="NADP-atom19 NADP-atom13" order="A"/> <bond id="NADP-bond49" atomRefs="NADP-atom14 NADP-atom15" order="1"/> <bond id="NADP-bond50" atomRefs="NADP-atom15 NADP-atom16" order="1"/> <bond id="NADP-bond51" atomRefs="NADP-atom16 NADP-atom17" order="1"/> <bond id="NADP-bond52" atomRefs="NADP-atom17 NADP-atom19" order="1"/> <formula concise="C 21 H 29 N 7 O 17 P 3" formalCharge="0"/> 744.418 C(C1(OC(C(C(O)1)OP(O)(=O)O)n2(c3(c(nc2)c(N)ncn3))))OP(O)(=O)OP(=O)(O)OCC4(OC(C(O)C(O)4)[n+]5(cc(C(N)=O)ccc5))
nicotinamide adenine dinucleotide phosphate
3-oxoacyl-[acyl-carrier protein] reductase
<atom id="NADPH-atom1" elementType="O" x2="5.313" y2="-3.3049"/> <atom id="NADPH-atom2" elementType="O" x2="7.2891" y2="-1.3253"/> <atom id="NADPH-atom3" elementType="O" x2="5.3105" y2="-1.6639"/> <atom id="NADPH-atom4" elementType="C" x2="9.9778" y2="-4.7867"/> <atom id="NADPH-atom5" elementType="C" x2="6.7454" y2="-3.0291"/> <atom id="NADPH-atom6" elementType="N" x2="9.4969" y2="-5.4609"/> <atom id="NADPH-atom7" elementType="N" x2="7.9875" y2="-3.9567"/> <atom id="NADPH-atom8" elementType="O" x2="6.1335" y2="-2.4826"/> <atom id="NADPH-atom9" elementType="O" x2="8.1839" y2="-3.2502"/> <atom id="NADPH-atom10" elementType="C" x2="7.2769" y2="-4.3761"/> <atom id="NADPH-atom11" elementType="C" x2="7.9875" y2="-5.6161"/> <atom id="NADPH-atom12" elementType="C" x2="8.7072" y2="-5.2058"/> <atom id="NADPH-atom13" elementType="C" x2="8.7072" y2="-4.3761"/> <atom id="NADPH-atom14" elementType="C" x2="7.5247" y2="-2.7725"/> <atom id="NADPH-atom15" elementType="C" x2="7.7737" y2="-1.9874"/> <atom id="NADPH-atom16" elementType="C" x2="8.5987" y2="-1.9874"/> <atom id="NADPH-atom17" elementType="C" x2="8.8524" y2="-2.7725"/> <atom id="NADPH-atom18" elementType="N" x2="7.2769" y2="-5.2058"/> <atom id="NADPH-atom19" elementType="N" x2="9.4949" y2="-4.1282"/> <atom id="NADPH-atom20" elementType="P" x2="5.3121" y2="-2.4844"/> <atom id="NADPH-atom21" elementType="N" x2="7.9852" y2="-6.4411"/> <atom id="NADPH-atom22" elementType="O" x2="4.4916" y2="-2.4844"/> <atom id="NADPH-atom23" elementType="O" x2="3.6666" y2="-3.3112"/> <atom id="NADPH-atom24" elementType="O" x2="3.6641" y2="-1.6612"/> <atom id="NADPH-atom25" elementType="P" x2="3.6657" y2="-2.4862"/> <atom id="NADPH-atom26" elementType="O" x2="9.0842" y2="-1.3204"/> <atom id="NADPH-atom27" elementType="P" x2="9.9092" y2="-1.3204"/> <atom id="NADPH-atom28" elementType="O" x2="9.9092" y2="-2.1454"/> <atom id="NADPH-atom29" elementType="O" x2="10.7342" y2="-1.3204"/> <atom id="NADPH-atom30" elementType="O" x2="9.9092" y2="-0.4954"/> <atom id="NADPH-atom31" elementType="C" x2="1.4118" y2="-2.4811"/> <atom id="NADPH-atom32" elementType="C" x2="0.0769" y2="-2.4811"/> <atom id="NADPH-atom33" elementType="C" x2="0.3318" y2="-1.6965"/> <atom id="NADPH-atom34" elementType="C" x2="1.1568" y2="-1.6965"/> <atom id="NADPH-atom35" elementType="O" x2="0.7443" y2="-2.966"/> <atom id="NADPH-atom36" elementType="O" x2="-0.1531" y2="-1.0291"/> <atom id="NADPH-atom37" elementType="O" x2="1.6418" y2="-1.0291"/> <atom id="NADPH-atom38" elementType="C" x2="-0.7077" y2="-3.561"/> <atom id="NADPH-atom39" elementType="C" x2="-1.4222" y2="-3.9735"/> <atom id="NADPH-atom40" elementType="C" x2="-2.1367" y2="-3.561"/> <atom id="NADPH-atom41" elementType="C" x2="-2.1367" y2="-2.736"/> <atom id="NADPH-atom42" elementType="C" x2="-1.4222" y2="-2.3235"/> <atom id="NADPH-atom43" elementType="C" x2="-2.8511" y2="-2.3235"/> <atom id="NADPH-atom44" elementType="O" x2="-2.8511" y2="-1.4985"/> <atom id="NADPH-atom45" elementType="N" x2="-3.5656" y2="-2.736"/> <atom id="NADPH-atom46" elementType="N" x2="-0.7077" y2="-2.736"/> <atom id="NADPH-atom47" elementType="C" x2="2.1248" y2="-2.8961"/> <atom id="NADPH-atom48" elementType="O" x2="2.8407" y2="-2.4862"/> <bond id="NADPH-bond1" atomRefs="NADPH-atom47 NADPH-atom48" order="1"/> <bond id="NADPH-bond2" atomRefs="NADPH-atom31 NADPH-atom47" order="1"/> <bond id="NADPH-bond3" atomRefs="NADPH-atom43 NADPH-atom45" order="1"/> <bond id="NADPH-bond4" atomRefs="NADPH-atom43 NADPH-atom44" order="2"/> <bond id="NADPH-bond5" atomRefs="NADPH-atom41 NADPH-atom43" order="1"/> <bond id="NADPH-bond6" atomRefs="NADPH-atom41 NADPH-atom42" order="2"/> <bond id="NADPH-bond7" atomRefs="NADPH-atom40 NADPH-atom41" order="1"/> <bond id="NADPH-bond8" atomRefs="NADPH-atom39 NADPH-atom40" order="1"/> <bond id="NADPH-bond9" atomRefs="NADPH-atom38 NADPH-atom39" order="2"/> <bond id="NADPH-bond10" atomRefs="NADPH-atom38 NADPH-atom46" order="1"/> <bond id="NADPH-bond11" atomRefs="NADPH-atom42 NADPH-atom46" order="1"/> <bond id="NADPH-bond12" atomRefs="NADPH-atom34 NADPH-atom37" order="1"/> <bond id="NADPH-bond13" atomRefs="NADPH-atom33 NADPH-atom36" order="1"/> <bond id="NADPH-bond14" atomRefs="NADPH-atom32 NADPH-atom46" order="1"/> <bond id="NADPH-bond15" atomRefs="NADPH-atom33 NADPH-atom34" order="1"/> <bond id="NADPH-bond16" atomRefs="NADPH-atom32 NADPH-atom33" order="1"/> <bond id="NADPH-bond17" atomRefs="NADPH-atom35 NADPH-atom32" order="1"/> <bond id="NADPH-bond18" atomRefs="NADPH-atom35 NADPH-atom31" order="1"/> <bond id="NADPH-bond19" atomRefs="NADPH-atom34 NADPH-atom31" order="1"/> <bond id="NADPH-bond20" atomRefs="NADPH-atom27 NADPH-atom28" order="2"/> <bond id="NADPH-bond21" atomRefs="NADPH-atom27 NADPH-atom30" order="1"/> <bond id="NADPH-bond22" atomRefs="NADPH-atom27 NADPH-atom29" order="1"/> <bond id="NADPH-bond23" atomRefs="NADPH-atom26 NADPH-atom27" order="1"/> <bond id="NADPH-bond24" atomRefs="NADPH-atom48 NADPH-atom25" order="1"/> <bond id="NADPH-bond25" atomRefs="NADPH-atom24 NADPH-atom25" order="1"/> <bond id="NADPH-bond26" atomRefs="NADPH-atom23 NADPH-atom25" order="2"/> <bond id="NADPH-bond27" atomRefs="NADPH-atom22 NADPH-atom25" order="1"/> <bond id="NADPH-bond28" atomRefs="NADPH-atom16 NADPH-atom26" order="1"/> <bond id="NADPH-bond29" atomRefs="NADPH-atom21 NADPH-atom11" order="1"/> <bond id="NADPH-bond30" atomRefs="NADPH-atom1 NADPH-atom20" order="2"/> <bond id="NADPH-bond31" atomRefs="NADPH-atom15 NADPH-atom2" order="1"/> <bond id="NADPH-bond32" atomRefs="NADPH-atom3 NADPH-atom20" order="1"/> <bond id="NADPH-bond33" atomRefs="NADPH-atom6 NADPH-atom4" order="A"/> <bond id="NADPH-bond34" atomRefs="NADPH-atom4 NADPH-atom19" order="A"/> <bond id="NADPH-bond35" atomRefs="NADPH-atom5 NADPH-atom8" order="1"/> <bond id="NADPH-bond36" atomRefs="NADPH-atom14 NADPH-atom5" order="1"/> <bond id="NADPH-bond37" atomRefs="NADPH-atom12 NADPH-atom6" order="A"/> <bond id="NADPH-bond38" atomRefs="NADPH-atom10 NADPH-atom7" order="A"/> <bond id="NADPH-bond39" atomRefs="NADPH-atom7 NADPH-atom13" order="A"/> <bond id="NADPH-bond40" atomRefs="NADPH-atom8 NADPH-atom20" order="1"/> <bond id="NADPH-bond41" atomRefs="NADPH-atom9 NADPH-atom14" order="1"/> <bond id="NADPH-bond42" atomRefs="NADPH-atom9 NADPH-atom17" order="1"/> <bond id="NADPH-bond43" atomRefs="NADPH-atom22 NADPH-atom20" order="1"/> <bond id="NADPH-bond44" atomRefs="NADPH-atom18 NADPH-atom10" order="A"/> <bond id="NADPH-bond45" atomRefs="NADPH-atom12 NADPH-atom11" order="A"/> <bond id="NADPH-bond46" atomRefs="NADPH-atom11 NADPH-atom18" order="A"/> <bond id="NADPH-bond47" atomRefs="NADPH-atom13 NADPH-atom12" order="A"/> <bond id="NADPH-bond48" atomRefs="NADPH-atom19 NADPH-atom13" order="A"/> <bond id="NADPH-bond49" atomRefs="NADPH-atom14 NADPH-atom15" order="1"/> <bond id="NADPH-bond50" atomRefs="NADPH-atom15 NADPH-atom16" order="1"/> <bond id="NADPH-bond51" atomRefs="NADPH-atom16 NADPH-atom17" order="1"/> <bond id="NADPH-bond52" atomRefs="NADPH-atom17 NADPH-atom19" order="1"/> <formula concise="C 21 H 30 N 7 O 17 P 3" formalCharge="0"/> 745.426 C(C1(OC(C(C(O)1)OP(O)(=O)O)n2(c3(c(nc2)c(N)ncn3))))OP(O)(=O)OP(=O)(O)OCC4(OC(C(O)C(O)4)N5(C=C(C(N)=O)CC=C5))
Nicotinamide adenine dinucleotide phosphate - reduced
dihydrotriphosphopyridine nucleotide reduced
dihydronicotinamide adenine dinucleotide phosphate
dihydronicotinamide adenine dinucleotide phosphate reduced
dihydronicotinamide adenine dinucleotide-P
3-oxoacyl-[acyl-carrier protein] synthase
<atom id="ISOBUTYRYL-COA-atom1" elementType="N" x2="0.0415" y2="-0.7668"/> <atom id="ISOBUTYRYL-COA-atom2" elementType="C" x2="0.0415" y2="-0.0085"/> <atom id="ISOBUTYRYL-COA-atom3" elementType="N" x2="0.6911" y2="0.3749"/> <atom id="ISOBUTYRYL-COA-atom4" elementType="C" x2="0.6911" y2="-1.1418"/> <atom id="ISOBUTYRYL-COA-atom5" elementType="C" x2="1.3489" y2="-0.7668"/> <atom id="ISOBUTYRYL-COA-atom6" elementType="C" x2="1.3489" y2="-0.0085"/> <atom id="ISOBUTYRYL-COA-atom7" elementType="C" x2="2.6616" y2="-0.7668"/> <atom id="ISOBUTYRYL-COA-atom8" elementType="N" x2="2.0052" y2="-1.1483"/> <atom id="ISOBUTYRYL-COA-atom9" elementType="N" x2="0.689" y2="-1.8918"/> <atom id="ISOBUTYRYL-COA-atom10" elementType="N" x2="2.66" y2="-0.0085"/> <atom id="ISOBUTYRYL-COA-atom11" elementType="O" x2="1.7287" y2="0.846"/> <atom id="ISOBUTYRYL-COA-atom12" elementType="O" x2="-0.6388" y2="1.5644"/> <atom id="ISOBUTYRYL-COA-atom13" elementType="C" x2="2.3489" y2="1.2945"/> <atom id="ISOBUTYRYL-COA-atom14" elementType="C" x2="2.1218" y2="1.9991"/> <atom id="ISOBUTYRYL-COA-atom15" elementType="C" x2="1.3563" y2="1.9991"/> <atom id="ISOBUTYRYL-COA-atom16" elementType="C" x2="1.1182" y2="1.2835"/> <atom id="ISOBUTYRYL-COA-atom17" elementType="C" x2="0.4159" y2="1.0627"/> <atom id="ISOBUTYRYL-COA-atom18" elementType="P" x2="-1.8063" y2="1.5613"/> <atom id="ISOBUTYRYL-COA-atom19" elementType="O" x2="-1.801" y2="0.8031"/> <atom id="ISOBUTYRYL-COA-atom20" elementType="O" x2="-2.6021" y2="1.5651"/> <atom id="ISOBUTYRYL-COA-atom21" elementType="O" x2="-1.8073" y2="3.1488"/> <atom id="ISOBUTYRYL-COA-atom22" elementType="O" x2="-0.9381" y2="4.6835"/> <atom id="ISOBUTYRYL-COA-atom23" elementType="P" x2="-1.8021" y2="4.678"/> <atom id="ISOBUTYRYL-COA-atom24" elementType="O" x2="-2.5562" y2="4.686"/> <atom id="ISOBUTYRYL-COA-atom25" elementType="O" x2="-1.7989" y2="5.5738"/> <atom id="ISOBUTYRYL-COA-atom26" elementType="C" x2="-0.3746" y2="4.289"/> <atom id="ISOBUTYRYL-COA-atom27" elementType="C" x2="0.2749" y2="4.6639"/> <atom id="ISOBUTYRYL-COA-atom28" elementType="C" x2="0.9244" y2="4.2888"/> <atom id="ISOBUTYRYL-COA-atom29" elementType="C" x2="0.2669" y2="5.3307"/> <atom id="ISOBUTYRYL-COA-atom30" elementType="C" x2="0.2591" y2="3.8887"/> <atom id="ISOBUTYRYL-COA-atom31" elementType="C" x2="1.574" y2="4.6637"/> <atom id="ISOBUTYRYL-COA-atom32" elementType="O" x2="0.9243" y2="3.5388"/> <atom id="ISOBUTYRYL-COA-atom33" elementType="O" x2="1.5741" y2="5.4137"/> <atom id="ISOBUTYRYL-COA-atom34" elementType="N" x2="2.2234" y2="4.2886"/> <atom id="ISOBUTYRYL-COA-atom35" elementType="C" x2="2.873" y2="4.6635"/> <atom id="ISOBUTYRYL-COA-atom36" elementType="C" x2="3.5225" y2="4.2884"/> <atom id="ISOBUTYRYL-COA-atom37" elementType="C" x2="4.1721" y2="4.6633"/> <atom id="ISOBUTYRYL-COA-atom38" elementType="N" x2="4.8215" y2="4.2882"/> <atom id="ISOBUTYRYL-COA-atom39" elementType="O" x2="4.1722" y2="5.4133"/> <atom id="ISOBUTYRYL-COA-atom40" elementType="C" x2="5.4711" y2="4.6631"/> <atom id="ISOBUTYRYL-COA-atom41" elementType="C" x2="6.1206" y2="4.2881"/> <atom id="ISOBUTYRYL-COA-atom42" elementType="O" x2="2.5633" y2="2.6054"/> <atom id="ISOBUTYRYL-COA-atom43" elementType="O" x2="0.9719" y2="2.5366"/> <atom id="ISOBUTYRYL-COA-atom44" elementType="O" x2="0.1528" y2="1.8225"/> <atom id="ISOBUTYRYL-COA-atom45" elementType="P" x2="0.1739" y2="2.5315"/> <atom id="ISOBUTYRYL-COA-atom46" elementType="O" x2="-0.5675" y2="2.5457"/> <atom id="ISOBUTYRYL-COA-atom47" elementType="O" x2="0.1682" y2="3.2857"/> <atom id="ISOBUTYRYL-COA-atom48" elementType="S" x2="6.7676" y2="4.6667"/> <atom id="ISOBUTYRYL-COA-atom49" elementType="C" x2="7.4193" y2="4.2955"/> <atom id="ISOBUTYRYL-COA-atom50" elementType="C" x2="8.0666" y2="4.6743"/> <atom id="ISOBUTYRYL-COA-atom51" elementType="O" x2="7.4237" y2="3.5455"/> <atom id="ISOBUTYRYL-COA-atom52" elementType="C" x2="8.0622" y2="5.4242"/> <atom id="ISOBUTYRYL-COA-atom53" elementType="C" x2="8.7183" y2="4.3031"/> <bond id="ISOBUTYRYL-COA-bond1" atomRefs="ISOBUTYRYL-COA-atom50 ISOBUTYRYL-COA-atom53" order="1"/> <bond id="ISOBUTYRYL-COA-bond2" atomRefs="ISOBUTYRYL-COA-atom50 ISOBUTYRYL-COA-atom52" order="1"/> <bond id="ISOBUTYRYL-COA-bond3" atomRefs="ISOBUTYRYL-COA-atom49 ISOBUTYRYL-COA-atom51" order="2"/> <bond id="ISOBUTYRYL-COA-bond4" atomRefs="ISOBUTYRYL-COA-atom49 ISOBUTYRYL-COA-atom50" order="1"/> <bond id="ISOBUTYRYL-COA-bond5" atomRefs="ISOBUTYRYL-COA-atom48 ISOBUTYRYL-COA-atom49" order="1"/> <bond id="ISOBUTYRYL-COA-bond6" atomRefs="ISOBUTYRYL-COA-atom43 ISOBUTYRYL-COA-atom45" order="1"/> <bond id="ISOBUTYRYL-COA-bond7" atomRefs="ISOBUTYRYL-COA-atom45 ISOBUTYRYL-COA-atom47" order="2"/> <bond id="ISOBUTYRYL-COA-bond8" atomRefs="ISOBUTYRYL-COA-atom45 ISOBUTYRYL-COA-atom46" order="1"/> <bond id="ISOBUTYRYL-COA-bond9" atomRefs="ISOBUTYRYL-COA-atom44 ISOBUTYRYL-COA-atom45" order="1"/> <bond id="ISOBUTYRYL-COA-bond10" atomRefs="ISOBUTYRYL-COA-atom15 ISOBUTYRYL-COA-atom43" order="1"/> <bond id="ISOBUTYRYL-COA-bond11" atomRefs="ISOBUTYRYL-COA-atom14 ISOBUTYRYL-COA-atom42" order="1"/> <bond id="ISOBUTYRYL-COA-bond12" atomRefs="ISOBUTYRYL-COA-atom41 ISOBUTYRYL-COA-atom48" order="1"/> <bond id="ISOBUTYRYL-COA-bond13" atomRefs="ISOBUTYRYL-COA-atom40 ISOBUTYRYL-COA-atom41" order="1"/> <bond id="ISOBUTYRYL-COA-bond14" atomRefs="ISOBUTYRYL-COA-atom38 ISOBUTYRYL-COA-atom40" order="1"/> <bond id="ISOBUTYRYL-COA-bond15" atomRefs="ISOBUTYRYL-COA-atom37 ISOBUTYRYL-COA-atom39" order="2"/> <bond id="ISOBUTYRYL-COA-bond16" atomRefs="ISOBUTYRYL-COA-atom37 ISOBUTYRYL-COA-atom38" order="1"/> <bond id="ISOBUTYRYL-COA-bond17" atomRefs="ISOBUTYRYL-COA-atom36 ISOBUTYRYL-COA-atom37" order="1"/> <bond id="ISOBUTYRYL-COA-bond18" atomRefs="ISOBUTYRYL-COA-atom35 ISOBUTYRYL-COA-atom36" order="1"/> <bond id="ISOBUTYRYL-COA-bond19" atomRefs="ISOBUTYRYL-COA-atom34 ISOBUTYRYL-COA-atom35" order="1"/> <bond id="ISOBUTYRYL-COA-bond20" atomRefs="ISOBUTYRYL-COA-atom31 ISOBUTYRYL-COA-atom34" order="1"/> <bond id="ISOBUTYRYL-COA-bond21" atomRefs="ISOBUTYRYL-COA-atom31 ISOBUTYRYL-COA-atom33" order="2"/> <bond id="ISOBUTYRYL-COA-bond22" atomRefs="ISOBUTYRYL-COA-atom28 ISOBUTYRYL-COA-atom32" order="1"/> <bond id="ISOBUTYRYL-COA-bond23" atomRefs="ISOBUTYRYL-COA-atom28 ISOBUTYRYL-COA-atom31" order="1"/> <bond id="ISOBUTYRYL-COA-bond24" atomRefs="ISOBUTYRYL-COA-atom27 ISOBUTYRYL-COA-atom30" order="1"/> <bond id="ISOBUTYRYL-COA-bond25" atomRefs="ISOBUTYRYL-COA-atom27 ISOBUTYRYL-COA-atom29" order="1"/> <bond id="ISOBUTYRYL-COA-bond26" atomRefs="ISOBUTYRYL-COA-atom27 ISOBUTYRYL-COA-atom28" order="1"/> <bond id="ISOBUTYRYL-COA-bond27" atomRefs="ISOBUTYRYL-COA-atom26 ISOBUTYRYL-COA-atom27" order="1"/> <bond id="ISOBUTYRYL-COA-bond28" atomRefs="ISOBUTYRYL-COA-atom23 ISOBUTYRYL-COA-atom21" order="1"/> <bond id="ISOBUTYRYL-COA-bond29" atomRefs="ISOBUTYRYL-COA-atom22 ISOBUTYRYL-COA-atom26" order="1"/> <bond id="ISOBUTYRYL-COA-bond30" atomRefs="ISOBUTYRYL-COA-atom23 ISOBUTYRYL-COA-atom25" order="1"/> <bond id="ISOBUTYRYL-COA-bond31" atomRefs="ISOBUTYRYL-COA-atom23 ISOBUTYRYL-COA-atom24" order="2"/> <bond id="ISOBUTYRYL-COA-bond32" atomRefs="ISOBUTYRYL-COA-atom22 ISOBUTYRYL-COA-atom23" order="1"/> <bond id="ISOBUTYRYL-COA-bond33" atomRefs="ISOBUTYRYL-COA-atom18 ISOBUTYRYL-COA-atom21" order="1"/> <bond id="ISOBUTYRYL-COA-bond34" atomRefs="ISOBUTYRYL-COA-atom18 ISOBUTYRYL-COA-atom20" order="2"/> <bond id="ISOBUTYRYL-COA-bond35" atomRefs="ISOBUTYRYL-COA-atom18 ISOBUTYRYL-COA-atom19" order="1"/> <bond id="ISOBUTYRYL-COA-bond36" atomRefs="ISOBUTYRYL-COA-atom12 ISOBUTYRYL-COA-atom18" order="1"/> <bond id="ISOBUTYRYL-COA-bond37" atomRefs="ISOBUTYRYL-COA-atom13 ISOBUTYRYL-COA-atom10" order="1"/> <bond id="ISOBUTYRYL-COA-bond38" atomRefs="ISOBUTYRYL-COA-atom17 ISOBUTYRYL-COA-atom12" order="1"/> <bond id="ISOBUTYRYL-COA-bond39" atomRefs="ISOBUTYRYL-COA-atom16 ISOBUTYRYL-COA-atom17" order="1"/> <bond id="ISOBUTYRYL-COA-bond40" atomRefs="ISOBUTYRYL-COA-atom13 ISOBUTYRYL-COA-atom14" order="1"/> <bond id="ISOBUTYRYL-COA-bond41" atomRefs="ISOBUTYRYL-COA-atom15 ISOBUTYRYL-COA-atom14" order="1"/> <bond id="ISOBUTYRYL-COA-bond42" atomRefs="ISOBUTYRYL-COA-atom11 ISOBUTYRYL-COA-atom13" order="1"/> <bond id="ISOBUTYRYL-COA-bond43" atomRefs="ISOBUTYRYL-COA-atom16 ISOBUTYRYL-COA-atom15" order="1"/> <bond id="ISOBUTYRYL-COA-bond44" atomRefs="ISOBUTYRYL-COA-atom16 ISOBUTYRYL-COA-atom11" order="1"/> <bond id="ISOBUTYRYL-COA-bond45" atomRefs="ISOBUTYRYL-COA-atom4 ISOBUTYRYL-COA-atom9" order="1"/> <bond id="ISOBUTYRYL-COA-bond46" atomRefs="ISOBUTYRYL-COA-atom6 ISOBUTYRYL-COA-atom10" order="A"/> <bond id="ISOBUTYRYL-COA-bond47" atomRefs="ISOBUTYRYL-COA-atom8 ISOBUTYRYL-COA-atom5" order="A"/> <bond id="ISOBUTYRYL-COA-bond48" atomRefs="ISOBUTYRYL-COA-atom7 ISOBUTYRYL-COA-atom8" order="A"/> <bond id="ISOBUTYRYL-COA-bond49" atomRefs="ISOBUTYRYL-COA-atom10 ISOBUTYRYL-COA-atom7" order="A"/> <bond id="ISOBUTYRYL-COA-bond50" atomRefs="ISOBUTYRYL-COA-atom5 ISOBUTYRYL-COA-atom6" order="A"/> <bond id="ISOBUTYRYL-COA-bond51" atomRefs="ISOBUTYRYL-COA-atom4 ISOBUTYRYL-COA-atom5" order="A"/> <bond id="ISOBUTYRYL-COA-bond52" atomRefs="ISOBUTYRYL-COA-atom6 ISOBUTYRYL-COA-atom3" order="A"/> <bond id="ISOBUTYRYL-COA-bond53" atomRefs="ISOBUTYRYL-COA-atom3 ISOBUTYRYL-COA-atom2" order="A"/> <bond id="ISOBUTYRYL-COA-bond54" atomRefs="ISOBUTYRYL-COA-atom2 ISOBUTYRYL-COA-atom1" order="A"/> <bond id="ISOBUTYRYL-COA-bond55" atomRefs="ISOBUTYRYL-COA-atom1 ISOBUTYRYL-COA-atom4" order="A"/> <formula concise="C 25 H 42 N 7 O 17 P 3 S 1" formalCharge="0"/> 837.625 c1(c2(c(ncn1)n(cn2)C3(OC(C(C(O)3)OP(O)(=O)O)COP(O)(=O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)C(C)C)))(N)
<atom id="OXYGEN-MOLECULE-atom1" elementType="O" x2="-1.0" y2="-1.0"/> <atom id="OXYGEN-MOLECULE-atom2" elementType="O" x2="0.9967" y2="-1.0"/> <bond id="OXYGEN-MOLECULE-bond1" atomRefs="OXYGEN-MOLECULE-atom2 OXYGEN-MOLECULE-atom1" order="2"/> <formula concise="O 2" formalCharge="0"/> 31.999 O=O O2
The fatty acid synthase is a enzyme complex isolated from the tissues of C.chinensis.
<atom id="2-KETOGLUTARATE-atom1" elementType="C" x2="-0.33887" y2="-0.61794"/> <atom id="2-KETOGLUTARATE-atom2" elementType="O" x2="0.99668" y2="-0.61462"/> <atom id="2-KETOGLUTARATE-atom3" elementType="C" x2="0.66777" y2="-0.42193"/> <atom id="2-KETOGLUTARATE-atom4" elementType="O" x2="0.33223" y2="-1.0"/> <atom id="2-KETOGLUTARATE-atom5" elementType="O" x2="0.66777" y2="-0.03987"/> <atom id="2-KETOGLUTARATE-atom6" elementType="C" x2="0.33223" y2="-0.61794"/> <atom id="2-KETOGLUTARATE-atom7" elementType="O" x2="-1.0" y2="-0.61462"/> <atom id="2-KETOGLUTARATE-atom8" elementType="C" x2="-0.00332" y2="-0.42193"/> <atom id="2-KETOGLUTARATE-atom9" elementType="C" x2="-0.6711" y2="-0.42193"/> <atom id="2-KETOGLUTARATE-atom10" elementType="O" x2="-0.6711" y2="-0.03987"/> <bond id="2-KETOGLUTARATE-bond1" atomRefs="2-KETOGLUTARATE-atom10 2-KETOGLUTARATE-atom9" order="2"/> <bond id="2-KETOGLUTARATE-bond2" atomRefs="2-KETOGLUTARATE-atom9 2-KETOGLUTARATE-atom1" order="1"/> <bond id="2-KETOGLUTARATE-bond3" atomRefs="2-KETOGLUTARATE-atom8 2-KETOGLUTARATE-atom6" order="1"/> <bond id="2-KETOGLUTARATE-bond4" atomRefs="2-KETOGLUTARATE-atom7 2-KETOGLUTARATE-atom9" order="1"/> <bond id="2-KETOGLUTARATE-bond5" atomRefs="2-KETOGLUTARATE-atom6 2-KETOGLUTARATE-atom3" order="1"/> <bond id="2-KETOGLUTARATE-bond6" atomRefs="2-KETOGLUTARATE-atom5 2-KETOGLUTARATE-atom3" order="2"/> <bond id="2-KETOGLUTARATE-bond7" atomRefs="2-KETOGLUTARATE-atom4 2-KETOGLUTARATE-atom6" order="2"/> <bond id="2-KETOGLUTARATE-bond8" atomRefs="2-KETOGLUTARATE-atom2 2-KETOGLUTARATE-atom3" order="1"/> <bond id="2-KETOGLUTARATE-bond9" atomRefs="2-KETOGLUTARATE-atom1 2-KETOGLUTARATE-atom8" order="1"/> <formula concise="C 5 H 6 O 5" formalCharge="0"/> 146.099 C(O)(=O)C(=O)CCC(=O)O
Nicotinamide adenine dinucleotide (NAD) and its phosphorylated derivative, nicotinamide adenine dinucleotide phosphate (NADP) are two of the most important coenzymes in redox reactions in the cell. Generally, NAD is involved in catabolic reactions, while NADP is involved in anabolic reactions. Because of the positive charge on the nitrogen atom in the nicotinamide ring, the oxidized forms of these compounds are often depicted as NAD+ and NADP+, respectively.
<atom id="NAD-atom1" elementType="N" x2="0.0" y2="-2.8535"/> <atom id="NAD-atom2" elementType="N" x2="19.3103" y2="-9.0476"/> <atom id="NAD-atom3" elementType="O" x2="1.1945" y2="-0.7847"/> <atom id="NAD-atom4" elementType="O" x2="14.843" y2="-3.8046"/> <atom id="NAD-atom5" elementType="O" x2="12.0906" y2="-3.8151"/> <atom id="NAD-atom6" elementType="O" x2="18.1466" y2="-0.4952"/> <atom id="NAD-atom7" elementType="O" x2="8.7056" y2="0.0"/> <atom id="NAD-atom8" elementType="O" x2="21.1476" y2="-0.487"/> <atom id="NAD-atom9" elementType="O" x2="5.7049" y2="0.0"/> <atom id="NAD-atom10" elementType="O" x2="14.8388" y2="-1.0612"/> <atom id="NAD-atom11" elementType="O" x2="12.0864" y2="-1.0567"/> <atom id="NAD-atom12" elementType="C" x2="3.5833" y2="-4.9224"/> <atom id="NAD-atom13" elementType="C" x2="2.3888" y2="-4.2328"/> <atom id="NAD-atom14" elementType="C" x2="18.1262" y2="-5.5954"/> <atom id="NAD-atom15" elementType="C" x2="4.7778" y2="-4.2328"/> <atom id="NAD-atom16" elementType="C" x2="22.6415" y2="-6.2818"/> <atom id="NAD-atom17" elementType="C" x2="3.5833" y2="-2.1639"/> <atom id="NAD-atom18" elementType="C" x2="17.2376" y2="-3.3435"/> <atom id="NAD-atom19" elementType="C" x2="9.513" y2="-3.1212"/> <atom id="NAD-atom20" elementType="N" x2="18.1262" y2="-6.9825"/> <atom id="NAD-atom21" elementType="N" x2="19.3141" y2="-4.8943"/> <atom id="NAD-atom22" elementType="N" x2="21.8375" y2="-7.409"/> <atom id="NAD-atom23" elementType="O" x2="16.2147" y2="-2.4299"/> <atom id="NAD-atom24" elementType="O" x2="10.7099" y2="-2.4359"/> <atom id="NAD-atom25" elementType="O" x2="19.6425" y2="-3.7132"/> <atom id="NAD-atom26" elementType="O" x2="7.2052" y2="-3.2381"/> <atom id="NAD-atom27" elementType="O" x2="13.4698" y2="-2.4329"/> <atom id="NAD-atom28" elementType="C" x2="1.1945" y2="-2.1639"/> <atom id="NAD-atom29" elementType="C" x2="19.3141" y2="-7.6684"/> <atom id="NAD-atom30" elementType="C" x2="2.3888" y2="-2.8535"/> <atom id="NAD-atom31" elementType="C" x2="20.5173" y2="-6.9825"/> <atom id="NAD-atom32" elementType="C" x2="20.5173" y2="-5.5954"/> <atom id="NAD-atom33" elementType="C" x2="18.9567" y2="-1.6021"/> <atom id="NAD-atom34" elementType="C" x2="7.8948" y2="-1.1157"/> <atom id="NAD-atom35" elementType="C" x2="20.3359" y2="-1.6021"/> <atom id="NAD-atom36" elementType="C" x2="6.5156" y2="-1.1157"/> <atom id="NAD-atom37" elementType="C" x2="18.5404" y2="-2.9146"/> <atom id="NAD-atom38" elementType="C" x2="8.3211" y2="-2.4274"/> <atom id="NAD-atom39" elementType="C" x2="20.7601" y2="-2.9146"/> <atom id="NAD-atom40" elementType="C" x2="6.0894" y2="-2.4274"/> <atom id="NAD-atom41" elementType="N" x2="21.8342" y2="-5.181"/> <atom id="NAD-atom42" elementType="N" x2="4.7778" y2="-2.8535" formalCharge="1"/> <atom id="NAD-atom43" elementType="P" x2="14.8415" y2="-2.4329"/> <atom id="NAD-atom44" elementType="P" x2="12.0891" y2="-2.4359"/> <bond id="NAD-bond1" atomRefs="NAD-atom40 NAD-atom42" order="1"/> <bond id="NAD-bond2" atomRefs="NAD-atom39 NAD-atom41" order="1"/> <bond id="NAD-bond3" atomRefs="NAD-atom36 NAD-atom40" order="1"/> <bond id="NAD-bond4" atomRefs="NAD-atom35 NAD-atom39" order="1"/> <bond id="NAD-bond5" atomRefs="NAD-atom34 NAD-atom38" order="1"/> <bond id="NAD-bond6" atomRefs="NAD-atom34 NAD-atom36" order="1"/> <bond id="NAD-bond7" atomRefs="NAD-atom33 NAD-atom37" order="1"/> <bond id="NAD-bond8" atomRefs="NAD-atom33 NAD-atom35" order="1"/> <bond id="NAD-bond9" atomRefs="NAD-atom41 NAD-atom32" order="A"/> <bond id="NAD-bond10" atomRefs="NAD-atom32 NAD-atom31" order="A"/> <bond id="NAD-bond11" atomRefs="NAD-atom31 NAD-atom29" order="A"/> <bond id="NAD-bond12" atomRefs="NAD-atom28 NAD-atom30" order="1"/> <bond id="NAD-bond13" atomRefs="NAD-atom27 NAD-atom44" order="1"/> <bond id="NAD-bond14" atomRefs="NAD-atom27 NAD-atom43" order="1"/> <bond id="NAD-bond15" atomRefs="NAD-atom26 NAD-atom40" order="1"/> <bond id="NAD-bond16" atomRefs="NAD-atom26 NAD-atom38" order="1"/> <bond id="NAD-bond17" atomRefs="NAD-atom25 NAD-atom39" order="1"/> <bond id="NAD-bond18" atomRefs="NAD-atom25 NAD-atom37" order="1"/> <bond id="NAD-bond19" atomRefs="NAD-atom24 NAD-atom44" order="1"/> <bond id="NAD-bond20" atomRefs="NAD-atom23 NAD-atom43" order="1"/> <bond id="NAD-bond21" atomRefs="NAD-atom31 NAD-atom22" order="A"/> <bond id="NAD-bond22" atomRefs="NAD-atom21 NAD-atom32" order="A"/> <bond id="NAD-bond23" atomRefs="NAD-atom29 NAD-atom20" order="A"/> <bond id="NAD-bond24" atomRefs="NAD-atom38 NAD-atom19" order="1"/> <bond id="NAD-bond25" atomRefs="NAD-atom19 NAD-atom24" order="1"/> <bond id="NAD-bond26" atomRefs="NAD-atom37 NAD-atom18" order="1"/> <bond id="NAD-bond27" atomRefs="NAD-atom18 NAD-atom23" order="1"/> <bond id="NAD-bond28" atomRefs="NAD-atom17 NAD-atom42" order="A"/> <bond id="NAD-bond29" atomRefs="NAD-atom30 NAD-atom17" order="A"/> <bond id="NAD-bond30" atomRefs="NAD-atom16 NAD-atom41" order="A"/> <bond id="NAD-bond31" atomRefs="NAD-atom22 NAD-atom16" order="A"/> <bond id="NAD-bond32" atomRefs="NAD-atom42 NAD-atom15" order="A"/> <bond id="NAD-bond33" atomRefs="NAD-atom14 NAD-atom21" order="A"/> <bond id="NAD-bond34" atomRefs="NAD-atom20 NAD-atom14" order="A"/> <bond id="NAD-bond35" atomRefs="NAD-atom13 NAD-atom30" order="A"/> <bond id="NAD-bond36" atomRefs="NAD-atom15 NAD-atom12" order="A"/> <bond id="NAD-bond37" atomRefs="NAD-atom12 NAD-atom13" order="A"/> <bond id="NAD-bond38" atomRefs="NAD-atom11 NAD-atom44" order="1"/> <bond id="NAD-bond39" atomRefs="NAD-atom10 NAD-atom43" order="1"/> <bond id="NAD-bond40" atomRefs="NAD-atom36 NAD-atom9" order="1"/> <bond id="NAD-bond41" atomRefs="NAD-atom35 NAD-atom8" order="1"/> <bond id="NAD-bond42" atomRefs="NAD-atom34 NAD-atom7" order="1"/> <bond id="NAD-bond43" atomRefs="NAD-atom33 NAD-atom6" order="1"/> <bond id="NAD-bond44" atomRefs="NAD-atom5 NAD-atom44" order="2"/> <bond id="NAD-bond45" atomRefs="NAD-atom4 NAD-atom43" order="2"/> <bond id="NAD-bond46" atomRefs="NAD-atom3 NAD-atom28" order="2"/> <bond id="NAD-bond47" atomRefs="NAD-atom2 NAD-atom29" order="1"/> <bond id="NAD-bond48" atomRefs="NAD-atom1 NAD-atom28" order="1"/> <formula concise="C 21 H 28 N 7 O 14 P 2" formalCharge="0"/> 664.438 c1([n+](cc(C(=O)N)cc1)C2(OC(C(O)C2O)COP(=O)(O)OP(=O)(O)OCC3(OC(C(O)C3O)n4(c5(c(nc4)c(N)ncn5)))))
nicotinamide adenine dinucleotide oxidized
β-nicotinamide adenine dinucleotide
<atom id="SUC-COA-atom1" elementType="C" x2="0.88294" y2="-0.23077"/> <atom id="SUC-COA-atom2" elementType="N" x2="-1.0" y2="-0.14381"/> <atom id="SUC-COA-atom3" elementType="C" x2="0.8194" y2="-0.35452"/> <atom id="SUC-COA-atom4" elementType="C" x2="-0.60535" y2="0.11371"/> <atom id="SUC-COA-atom5" elementType="N" x2="0.60535" y2="0.05017"/> <atom id="SUC-COA-atom6" elementType="O" x2="-0.86622" y2="0.11371"/> <atom id="SUC-COA-atom7" elementType="P" x2="0.8194" y2="-0.82274"/> <atom id="SUC-COA-atom8" elementType="C" x2="-0.86622" y2="-0.06355"/> <atom id="SUC-COA-atom9" elementType="O" x2="0.8194" y2="-0.46154"/> <atom id="SUC-COA-atom10" elementType="C" x2="0.98662" y2="0.21405"/> <atom id="SUC-COA-atom11" elementType="O" x2="0.8194" y2="-1.0"/> <atom id="SUC-COA-atom12" elementType="N" x2="0.45151" y2="0.29097"/> <atom id="SUC-COA-atom13" elementType="C" x2="0.22408" y2="-0.57525"/> <atom id="SUC-COA-atom14" elementType="O" x2="0.71572" y2="-0.14047"/> <atom id="SUC-COA-atom15" elementType="O" x2="-0.66221" y2="-0.41472"/> <atom id="SUC-COA-atom16" elementType="N" x2="-0.52843" y2="-0.6689"/> <atom id="SUC-COA-atom17" elementType="O" x2="-0.31773" y2="-0.04013"/> <atom id="SUC-COA-atom18" elementType="C" x2="0.08696" y2="-0.67559"/> <atom id="SUC-COA-atom19" elementType="O" x2="0.48829" y2="-0.39799"/> <atom id="SUC-COA-atom20" elementType="C" x2="0.48829" y2="-0.57525"/> <atom id="SUC-COA-atom21" elementType="O" x2="0.21405" y2="0.13712"/> <atom id="SUC-COA-atom22" elementType="C" x2="-0.66221" y2="-0.59197"/> <atom id="SUC-COA-atom23" elementType="H" x2="0.8194" y2="-0.24749"/> <atom id="SUC-COA-atom24" elementType="C" x2="0.58863" y2="0.37793"/> <atom id="SUC-COA-atom25" elementType="O" x2="0.21405" y2="-0.21739"/> <atom id="SUC-COA-atom26" elementType="C" x2="-0.60535" y2="-0.06355"/> <atom id="SUC-COA-atom27" elementType="N" x2="0.88294" y2="0.05686"/> <atom id="SUC-COA-atom28" elementType="C" x2="-0.60535" y2="-0.2408"/> <atom id="SUC-COA-atom29" elementType="O" x2="0.8194" y2="-0.62542"/> <atom id="SUC-COA-atom30" elementType="O" x2="-0.11371" y2="0.13712"/> <atom id="SUC-COA-atom31" elementType="H" x2="0.61873" y2="-0.24749"/> <atom id="SUC-COA-atom32" elementType="C" x2="-0.47492" y2="-0.14381"/> <atom id="SUC-COA-atom33" elementType="O" x2="0.04013" y2="-0.04013"/> <atom id="SUC-COA-atom34" elementType="O" x2="-0.11371" y2="-0.21739"/> <atom id="SUC-COA-atom35" elementType="O" x2="0.99666" y2="-0.82274"/> <atom id="SUC-COA-atom36" elementType="S" x2="-0.06355" y2="-0.56522"/> <atom id="SUC-COA-atom37" elementType="C" x2="-0.20401" y2="-0.6689"/> <atom id="SUC-COA-atom38" elementType="O" x2="0.64548" y2="-0.65552"/> <atom id="SUC-COA-atom39" elementType="C" x2="0.7291" y2="0.29766"/> <atom id="SUC-COA-atom40" elementType="C" x2="-0.35452" y2="-0.57525"/> <atom id="SUC-COA-atom41" elementType="O" x2="0.08696" y2="-0.85284"/> <atom id="SUC-COA-atom42" elementType="C" x2="0.35786" y2="-0.66555"/> <atom id="SUC-COA-atom43" elementType="O" x2="0.38462" y2="-0.04013"/> <atom id="SUC-COA-atom44" elementType="C" x2="-0.86957" y2="-0.67559"/> <atom id="SUC-COA-atom45" elementType="N" x2="0.87291" y2="0.3612"/> <atom id="SUC-COA-atom46" elementType="H" x2="0.55184" y2="-0.33779"/> <atom id="SUC-COA-atom47" elementType="P" x2="0.21405" y2="-0.04013"/> <atom id="SUC-COA-atom48" elementType="C" x2="0.7291" y2="0.14047"/> <atom id="SUC-COA-atom49" elementType="O" x2="-0.74916" y2="-0.32107"/> <atom id="SUC-COA-atom50" elementType="P" x2="-0.11371" y2="-0.04013"/> <atom id="SUC-COA-atom51" elementType="C" x2="0.45151" y2="0.13378"/> <atom id="SUC-COA-atom52" elementType="C" x2="-1.0" y2="-0.59197"/> <atom id="SUC-COA-atom53" elementType="C" x2="-0.74916" y2="-0.14381"/> <atom id="SUC-COA-atom54" elementType="C" x2="0.55184" y2="-0.04013"/> <atom id="SUC-COA-atom55" elementType="C" x2="0.55184" y2="-0.23077"/> <atom id="SUC-COA-atom56" elementType="O" x2="0.64214" y2="-0.82274"/> <atom id="SUC-COA-atom57" elementType="C" x2="0.61873" y2="-0.35452"/> <atom id="SUC-COA-atom58" elementType="N" x2="0.58863" y2="0.55518"/> <atom id="SUC-COA-atom59" elementType="H" x2="0.88294" y2="-0.33779"/> <bond id="SUC-COA-bond1" atomRefs="SUC-COA-atom59 SUC-COA-atom1" order="1"/> <bond id="SUC-COA-bond2" atomRefs="SUC-COA-atom58 SUC-COA-atom24" order="1"/> <bond id="SUC-COA-bond3" atomRefs="SUC-COA-atom57 SUC-COA-atom29" order="1"/> <bond id="SUC-COA-bond4" atomRefs="SUC-COA-atom57 SUC-COA-atom3" order="1"/> <bond id="SUC-COA-bond5" atomRefs="SUC-COA-atom56 SUC-COA-atom7" order="2"/> <bond id="SUC-COA-bond6" atomRefs="SUC-COA-atom55 SUC-COA-atom14" order="1"/> <bond id="SUC-COA-bond7" atomRefs="SUC-COA-atom55 SUC-COA-atom57" order="1"/> <bond id="SUC-COA-bond8" atomRefs="SUC-COA-atom54 SUC-COA-atom55" order="1"/> <bond id="SUC-COA-bond9" atomRefs="SUC-COA-atom53 SUC-COA-atom26" order="1"/> <bond id="SUC-COA-bond10" atomRefs="SUC-COA-atom52 SUC-COA-atom2" order="1"/> <bond id="SUC-COA-bond11" atomRefs="SUC-COA-atom51 SUC-COA-atom5" order="A"/> <bond id="SUC-COA-bond12" atomRefs="SUC-COA-atom50 SUC-COA-atom33" order="1"/> <bond id="SUC-COA-bond13" atomRefs="SUC-COA-atom49 SUC-COA-atom53" order="1"/> <bond id="SUC-COA-bond14" atomRefs="SUC-COA-atom27 SUC-COA-atom48" order="A"/> <bond id="SUC-COA-bond15" atomRefs="SUC-COA-atom47 SUC-COA-atom43" order="1"/> <bond id="SUC-COA-bond16" atomRefs="SUC-COA-atom46 SUC-COA-atom55" order="1"/> <bond id="SUC-COA-bond17" atomRefs="SUC-COA-atom45 SUC-COA-atom10" order="A"/> <bond id="SUC-COA-bond18" atomRefs="SUC-COA-atom39 SUC-COA-atom45" order="A"/> <bond id="SUC-COA-bond19" atomRefs="SUC-COA-atom44 SUC-COA-atom52" order="1"/> <bond id="SUC-COA-bond20" atomRefs="SUC-COA-atom43 SUC-COA-atom54" order="1"/> <bond id="SUC-COA-bond21" atomRefs="SUC-COA-atom42 SUC-COA-atom13" order="1"/> <bond id="SUC-COA-bond22" atomRefs="SUC-COA-atom41 SUC-COA-atom18" order="2"/> <bond id="SUC-COA-bond23" atomRefs="SUC-COA-atom40 SUC-COA-atom16" order="1"/> <bond id="SUC-COA-bond24" atomRefs="SUC-COA-atom48 SUC-COA-atom39" order="A"/> <bond id="SUC-COA-bond25" atomRefs="SUC-COA-atom38 SUC-COA-atom20" order="1"/> <bond id="SUC-COA-bond26" atomRefs="SUC-COA-atom37 SUC-COA-atom40" order="1"/> <bond id="SUC-COA-bond27" atomRefs="SUC-COA-atom36 SUC-COA-atom37" order="1"/> <bond id="SUC-COA-bond28" atomRefs="SUC-COA-atom35 SUC-COA-atom7" order="1"/> <bond id="SUC-COA-bond29" atomRefs="SUC-COA-atom34 SUC-COA-atom50" order="1"/> <bond id="SUC-COA-bond30" atomRefs="SUC-COA-atom33 SUC-COA-atom47" order="1"/> <bond id="SUC-COA-bond31" atomRefs="SUC-COA-atom32 SUC-COA-atom17" order="1"/> <bond id="SUC-COA-bond32" atomRefs="SUC-COA-atom31 SUC-COA-atom57" order="1"/> <bond id="SUC-COA-bond33" atomRefs="SUC-COA-atom30 SUC-COA-atom50" order="2"/> <bond id="SUC-COA-bond34" atomRefs="SUC-COA-atom28 SUC-COA-atom26" order="1"/> <bond id="SUC-COA-bond35" atomRefs="SUC-COA-atom26 SUC-COA-atom32" order="1"/> <bond id="SUC-COA-bond36" atomRefs="SUC-COA-atom25 SUC-COA-atom47" order="1"/> <bond id="SUC-COA-bond37" atomRefs="SUC-COA-atom39 SUC-COA-atom24" order="A"/> <bond id="SUC-COA-bond38" atomRefs="SUC-COA-atom24 SUC-COA-atom12" order="A"/> <bond id="SUC-COA-bond39" atomRefs="SUC-COA-atom23 SUC-COA-atom3" order="1"/> <bond id="SUC-COA-bond40" atomRefs="SUC-COA-atom22 SUC-COA-atom44" order="1"/> <bond id="SUC-COA-bond41" atomRefs="SUC-COA-atom21 SUC-COA-atom47" order="2"/> <bond id="SUC-COA-bond42" atomRefs="SUC-COA-atom20 SUC-COA-atom42" order="1"/> <bond id="SUC-COA-bond43" atomRefs="SUC-COA-atom19 SUC-COA-atom20" order="2"/> <bond id="SUC-COA-bond44" atomRefs="SUC-COA-atom18 SUC-COA-atom36" order="1"/> <bond id="SUC-COA-bond45" atomRefs="SUC-COA-atom17 SUC-COA-atom50" order="1"/> <bond id="SUC-COA-bond46" atomRefs="SUC-COA-atom16 SUC-COA-atom22" order="1"/> <bond id="SUC-COA-bond47" atomRefs="SUC-COA-atom15 SUC-COA-atom22" order="2"/> <bond id="SUC-COA-bond48" atomRefs="SUC-COA-atom14 SUC-COA-atom1" order="1"/> <bond id="SUC-COA-bond49" atomRefs="SUC-COA-atom13 SUC-COA-atom18" order="1"/> <bond id="SUC-COA-bond50" atomRefs="SUC-COA-atom12 SUC-COA-atom51" order="A"/> <bond id="SUC-COA-bond51" atomRefs="SUC-COA-atom11 SUC-COA-atom7" order="1"/> <bond id="SUC-COA-bond52" atomRefs="SUC-COA-atom10 SUC-COA-atom27" order="A"/> <bond id="SUC-COA-bond53" atomRefs="SUC-COA-atom9 SUC-COA-atom3" order="1"/> <bond id="SUC-COA-bond54" atomRefs="SUC-COA-atom8 SUC-COA-atom53" order="1"/> <bond id="SUC-COA-bond55" atomRefs="SUC-COA-atom7 SUC-COA-atom29" order="1"/> <bond id="SUC-COA-bond56" atomRefs="SUC-COA-atom6 SUC-COA-atom8" order="2"/> <bond id="SUC-COA-bond57" atomRefs="SUC-COA-atom5 SUC-COA-atom48" order="A"/> <bond id="SUC-COA-bond58" atomRefs="SUC-COA-atom4 SUC-COA-atom26" order="1"/> <bond id="SUC-COA-bond59" atomRefs="SUC-COA-atom2 SUC-COA-atom8" order="1"/> <bond id="SUC-COA-bond60" atomRefs="SUC-COA-atom1 SUC-COA-atom27" order="1"/> <bond id="SUC-COA-bond61" atomRefs="SUC-COA-atom1 SUC-COA-atom3" order="1"/> <formula concise="C 25 H 40 N 7 O 19 P 3 S 1" formalCharge="0"/> 867.608 [CH]3(n1(c2(c(nc1)c(N)ncn2)))(O[CH]([CH]([CH](O)3)OP(O)(=O)O)COP(=O)(O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)CCC(O)=O) Coenzyme A, S-(hydrogen butanedioate)
<atom id="NADH-atom1" elementType="C" x2="0.34285715" y2="-0.7542857"/> <atom id="NADH-atom2" elementType="C" x2="0.92" y2="-0.45142856"/> <atom id="NADH-atom3" elementType="H" x2="0.37142858" y2="-0.89428574"/> <atom id="NADH-atom4" elementType="O" x2="0.08285714" y2="-0.64"/> <atom id="NADH-atom5" elementType="O" x2="0.08285714" y2="-0.8657143"/> <atom id="NADH-atom6" elementType="C" x2="0.42857143" y2="-0.93142855"/> <atom id="NADH-atom7" elementType="C" x2="-0.5914286" y2="-0.36"/> <atom id="NADH-atom8" elementType="C" x2="-0.78571427" y2="-0.4342857"/> <atom id="NADH-atom9" elementType="H" x2="-0.48857144" y2="-0.70285714"/> <atom id="NADH-atom10" elementType="H" x2="0.7" y2="-0.34285715"/> <atom id="NADH-atom11" elementType="O" x2="0.42857143" y2="-1.0"/> <atom id="NADH-atom12" elementType="C" x2="0.52" y2="-0.46285716"/> <atom id="NADH-atom13" elementType="C" x2="-1.0" y2="-0.4342857"/> <atom id="NADH-atom14" elementType="H" x2="0.42857143" y2="-0.86285716"/> <atom id="NADH-atom15" elementType="H" x2="-0.68" y2="-0.7542857"/> <atom id="NADH-atom16" elementType="H" x2="0.6028572" y2="-0.34571427"/> <atom id="NADH-atom17" elementType="C" x2="-0.42285714" y2="-0.68285716"/> <atom id="NADH-atom18" elementType="C" x2="0.7714286" y2="-0.45142856"/> <atom id="NADH-atom19" elementType="H" x2="0.6457143" y2="-0.89428574"/> <atom id="NADH-atom20" elementType="O" x2="-0.5542857" y2="-0.61142856"/> <atom id="NADH-atom21" elementType="C" x2="0.6457143" y2="-0.82857144"/> <atom id="NADH-atom22" elementType="O" x2="-0.48857144" y2="-0.8428571"/> <atom id="NADH-atom23" elementType="C" x2="0.37142858" y2="-0.82857144"/> <atom id="NADH-atom24" elementType="C" x2="0.52" y2="-0.6085714"/> <atom id="NADH-atom25" elementType="C" x2="-0.48857144" y2="-0.77428573"/> <atom id="NADH-atom26" elementType="C" x2="-0.61714286" y2="-0.77428573"/> <atom id="NADH-atom27" elementType="O" x2="0.5" y2="-0.7457143"/> <atom id="NADH-atom28" elementType="N" x2="-0.8971428" y2="-0.13142857"/> <atom id="NADH-atom29" elementType="O" x2="0.21428572" y2="-0.7542857"/> <atom id="NADH-atom30" elementType="O" x2="-0.17714286" y2="-0.64"/> <atom id="NADH-atom31" elementType="N" x2="-1.0" y2="-0.31142858"/> <atom id="NADH-atom32" elementType="N" x2="-0.68" y2="-0.48285714"/> <atom id="NADH-atom33" elementType="N" x2="0.9942857" y2="-0.5342857"/> <atom id="NADH-atom34" elementType="C" x2="0.7714286" y2="-0.6085714"/> <atom id="NADH-atom35" elementType="C" x2="-0.78571427" y2="-0.31142858"/> <atom id="NADH-atom36" elementType="H" x2="0.5714286" y2="-0.86285716"/> <atom id="NADH-atom37" elementType="P" x2="0.08285714" y2="-0.7542857"/> <atom id="NADH-atom38" elementType="O" x2="-0.61714286" y2="-0.8428571"/> <atom id="NADH-atom39" elementType="N" x2="-0.68" y2="-0.25714287"/> <atom id="NADH-atom40" elementType="P" x2="-0.17714286" y2="-0.7542857"/> <atom id="NADH-atom41" elementType="C" x2="-0.68" y2="-0.68285716"/> <atom id="NADH-atom42" elementType="N" x2="0.6457143" y2="-0.67714286"/> <atom id="NADH-atom43" elementType="H" x2="-0.61714286" y2="-0.70285714"/> <atom id="NADH-atom44" elementType="O" x2="0.99714285" y2="-0.37142858"/> <atom id="NADH-atom45" elementType="N" x2="-0.8971428" y2="-0.48857144"/> <atom id="NADH-atom46" elementType="C" x2="-0.36857143" y2="-0.7657143"/> <atom id="NADH-atom47" elementType="O" x2="0.5714286" y2="-1.0"/> <atom id="NADH-atom48" elementType="O" x2="-0.17714286" y2="-0.8657143"/> <atom id="NADH-atom49" elementType="C" x2="-0.8971428" y2="-0.24857143"/> <atom id="NADH-atom50" elementType="O" x2="-0.2742857" y2="-0.7542857"/> <atom id="NADH-atom51" elementType="H" x2="-0.42285714" y2="-0.61714286"/> <atom id="NADH-atom52" elementType="O" x2="-0.042857144" y2="-0.7542857"/> <atom id="NADH-atom53" elementType="C" x2="0.5714286" y2="-0.93142855"/> <atom id="NADH-atom54" elementType="C" x2="0.6542857" y2="-0.39142856"/> <bond id="NADH-bond1" atomRefs="NADH-atom54 NADH-atom18" order="1"/> <bond id="NADH-bond2" atomRefs="NADH-atom53 NADH-atom6" order="1"/> <bond id="NADH-bond3" atomRefs="NADH-atom52 NADH-atom40" order="1"/> <bond id="NADH-bond4" atomRefs="NADH-atom51 NADH-atom17" order="1"/> <bond id="NADH-bond5" atomRefs="NADH-atom50 NADH-atom46" order="1"/> <bond id="NADH-bond6" atomRefs="NADH-atom49 NADH-atom31" order="A"/> <bond id="NADH-bond7" atomRefs="NADH-atom48 NADH-atom40" order="1"/> <bond id="NADH-bond8" atomRefs="NADH-atom47 NADH-atom53" order="1"/> <bond id="NADH-bond9" atomRefs="NADH-atom46 NADH-atom17" order="1"/> <bond id="NADH-bond10" atomRefs="NADH-atom45 NADH-atom8" order="A"/> <bond id="NADH-bond11" atomRefs="NADH-atom44 NADH-atom2" order="2"/> <bond id="NADH-bond12" atomRefs="NADH-atom43 NADH-atom26" order="1"/> <bond id="NADH-bond13" atomRefs="NADH-atom42 NADH-atom21" order="1"/> <bond id="NADH-bond14" atomRefs="NADH-atom42 NADH-atom24" order="1"/> <bond id="NADH-bond15" atomRefs="NADH-atom41 NADH-atom32" order="1"/> <bond id="NADH-bond16" atomRefs="NADH-atom41 NADH-atom26" order="1"/> <bond id="NADH-bond17" atomRefs="NADH-atom40 NADH-atom50" order="1"/> <bond id="NADH-bond18" atomRefs="NADH-atom39 NADH-atom35" order="A"/> <bond id="NADH-bond19" atomRefs="NADH-atom38 NADH-atom26" order="1"/> <bond id="NADH-bond20" atomRefs="NADH-atom37 NADH-atom52" order="1"/> <bond id="NADH-bond21" atomRefs="NADH-atom36 NADH-atom53" order="1"/> <bond id="NADH-bond22" atomRefs="NADH-atom35 NADH-atom49" order="A"/> <bond id="NADH-bond23" atomRefs="NADH-atom35 NADH-atom8" order="A"/> <bond id="NADH-bond24" atomRefs="NADH-atom34 NADH-atom42" order="1"/> <bond id="NADH-bond25" atomRefs="NADH-atom33 NADH-atom2" order="1"/> <bond id="NADH-bond26" atomRefs="NADH-atom32 NADH-atom7" order="A"/> <bond id="NADH-bond27" atomRefs="NADH-atom31 NADH-atom13" order="A"/> <bond id="NADH-bond28" atomRefs="NADH-atom30 NADH-atom40" order="2"/> <bond id="NADH-bond29" atomRefs="NADH-atom29 NADH-atom37" order="1"/> <bond id="NADH-bond30" atomRefs="NADH-atom28 NADH-atom49" order="1"/> <bond id="NADH-bond31" atomRefs="NADH-atom27 NADH-atom23" order="1"/> <bond id="NADH-bond32" atomRefs="NADH-atom25 NADH-atom26" order="1"/> <bond id="NADH-bond33" atomRefs="NADH-atom23 NADH-atom1" order="1"/> <bond id="NADH-bond34" atomRefs="NADH-atom23 NADH-atom6" order="1"/> <bond id="NADH-bond35" atomRefs="NADH-atom22 NADH-atom25" order="1"/> <bond id="NADH-bond36" atomRefs="NADH-atom21 NADH-atom27" order="1"/> <bond id="NADH-bond37" atomRefs="NADH-atom21 NADH-atom53" order="1"/> <bond id="NADH-bond38" atomRefs="NADH-atom20 NADH-atom41" order="1"/> <bond id="NADH-bond39" atomRefs="NADH-atom19 NADH-atom21" order="1"/> <bond id="NADH-bond40" atomRefs="NADH-atom18 NADH-atom34" order="2"/> <bond id="NADH-bond41" atomRefs="NADH-atom17 NADH-atom20" order="1"/> <bond id="NADH-bond42" atomRefs="NADH-atom17 NADH-atom25" order="1"/> <bond id="NADH-bond43" atomRefs="NADH-atom16 NADH-atom54" order="1"/> <bond id="NADH-bond44" atomRefs="NADH-atom15 NADH-atom41" order="1"/> <bond id="NADH-bond45" atomRefs="NADH-atom14 NADH-atom6" order="1"/> <bond id="NADH-bond46" atomRefs="NADH-atom13 NADH-atom45" order="A"/> <bond id="NADH-bond47" atomRefs="NADH-atom12 NADH-atom24" order="2"/> <bond id="NADH-bond48" atomRefs="NADH-atom12 NADH-atom54" order="1"/> <bond id="NADH-bond49" atomRefs="NADH-atom11 NADH-atom6" order="1"/> <bond id="NADH-bond50" atomRefs="NADH-atom10 NADH-atom54" order="1"/> <bond id="NADH-bond51" atomRefs="NADH-atom9 NADH-atom25" order="1"/> <bond id="NADH-bond52" atomRefs="NADH-atom8 NADH-atom32" order="A"/> <bond id="NADH-bond53" atomRefs="NADH-atom7 NADH-atom39" order="A"/> <bond id="NADH-bond54" atomRefs="NADH-atom5 NADH-atom37" order="1"/> <bond id="NADH-bond55" atomRefs="NADH-atom4 NADH-atom37" order="2"/> <bond id="NADH-bond56" atomRefs="NADH-atom3 NADH-atom23" order="1"/> <bond id="NADH-bond57" atomRefs="NADH-atom2 NADH-atom18" order="1"/> <bond id="NADH-bond58" atomRefs="NADH-atom1 NADH-atom29" order="1"/> <formula concise="C 21 H 29 N 7 O 14 P 2" formalCharge="0"/> 665.446 C([CH]1(O[CH]([CH](O)[CH]1O)N2(C=C(C(=O)N)[CH2]C=C2)))OP(=O)(O)OP(=O)(O)OC[CH]3(O[CH]([CH](O)[CH](O)3)n4(c5(c(nc4)c(N)ncn5)))
dihydronicotinamide adenine dinucleotide
nicotinamide adenine dinucleotide reduced
α-ketoglutarate oxidative decarboxylation
<atom id="3-CARBOXY-3-HYDROXY-ISOCAPROATE-atom1" elementType="O" x2="-0.19934" y2="-0.77265"/> <atom id="3-CARBOXY-3-HYDROXY-ISOCAPROATE-atom2" elementType="O" x2="0.11038" y2="0.46952"/> <atom id="3-CARBOXY-3-HYDROXY-ISOCAPROATE-atom3" elementType="C" x2="-0.19934" y2="-0.31466"/> <atom id="3-CARBOXY-3-HYDROXY-ISOCAPROATE-atom4" elementType="O" x2="0.59802" y2="0.14333"/> <atom id="3-CARBOXY-3-HYDROXY-ISOCAPROATE-atom5" elementType="C" x2="0.59802" y2="-0.31466"/> <atom id="3-CARBOXY-3-HYDROXY-ISOCAPROATE-atom6" elementType="C" x2="0.19934" y2="-0.54201"/> <atom id="3-CARBOXY-3-HYDROXY-ISOCAPROATE-atom7" elementType="O" x2="0.99671" y2="-0.54201"/> <atom id="3-CARBOXY-3-HYDROXY-ISOCAPROATE-atom8" elementType="C" x2="-0.60132" y2="-0.54201"/> <atom id="3-CARBOXY-3-HYDROXY-ISOCAPROATE-atom9" elementType="C" x2="-0.19934" y2="0.13015"/> <atom id="3-CARBOXY-3-HYDROXY-ISOCAPROATE-atom10" elementType="C" x2="-0.60132" y2="-1.0"/> <atom id="3-CARBOXY-3-HYDROXY-ISOCAPROATE-atom11" elementType="C" x2="-1.0" y2="-0.31137"/> <atom id="3-CARBOXY-3-HYDROXY-ISOCAPROATE-atom12" elementType="O" x2="-0.55519" y2="0.4168"/> <bond id="3-CARBOXY-3-HYDROXY-ISOCAPROATE-bond1" atomRefs="3-CARBOXY-3-HYDROXY-ISOCAPROATE-atom12 3-CARBOXY-3-HYDROXY-ISOCAPROATE-atom9" order="2"/> <bond id="3-CARBOXY-3-HYDROXY-ISOCAPROATE-bond2" atomRefs="3-CARBOXY-3-HYDROXY-ISOCAPROATE-atom11 3-CARBOXY-3-HYDROXY-ISOCAPROATE-atom8" order="1"/> <bond id="3-CARBOXY-3-HYDROXY-ISOCAPROATE-bond3" atomRefs="3-CARBOXY-3-HYDROXY-ISOCAPROATE-atom10 3-CARBOXY-3-HYDROXY-ISOCAPROATE-atom8" order="1"/> <bond id="3-CARBOXY-3-HYDROXY-ISOCAPROATE-bond4" atomRefs="3-CARBOXY-3-HYDROXY-ISOCAPROATE-atom9 3-CARBOXY-3-HYDROXY-ISOCAPROATE-atom3" order="1"/> <bond id="3-CARBOXY-3-HYDROXY-ISOCAPROATE-bond5" atomRefs="3-CARBOXY-3-HYDROXY-ISOCAPROATE-atom8 3-CARBOXY-3-HYDROXY-ISOCAPROATE-atom3" order="1"/> <bond id="3-CARBOXY-3-HYDROXY-ISOCAPROATE-bond6" atomRefs="3-CARBOXY-3-HYDROXY-ISOCAPROATE-atom7 3-CARBOXY-3-HYDROXY-ISOCAPROATE-atom5" order="1"/> <bond id="3-CARBOXY-3-HYDROXY-ISOCAPROATE-bond7" atomRefs="3-CARBOXY-3-HYDROXY-ISOCAPROATE-atom6 3-CARBOXY-3-HYDROXY-ISOCAPROATE-atom3" order="1"/> <bond id="3-CARBOXY-3-HYDROXY-ISOCAPROATE-bond8" atomRefs="3-CARBOXY-3-HYDROXY-ISOCAPROATE-atom5 3-CARBOXY-3-HYDROXY-ISOCAPROATE-atom6" order="1"/> <bond id="3-CARBOXY-3-HYDROXY-ISOCAPROATE-bond9" atomRefs="3-CARBOXY-3-HYDROXY-ISOCAPROATE-atom4 3-CARBOXY-3-HYDROXY-ISOCAPROATE-atom5" order="2"/> <bond id="3-CARBOXY-3-HYDROXY-ISOCAPROATE-bond10" atomRefs="3-CARBOXY-3-HYDROXY-ISOCAPROATE-atom2 3-CARBOXY-3-HYDROXY-ISOCAPROATE-atom9" order="1"/> <bond id="3-CARBOXY-3-HYDROXY-ISOCAPROATE-bond11" atomRefs="3-CARBOXY-3-HYDROXY-ISOCAPROATE-atom1 3-CARBOXY-3-HYDROXY-ISOCAPROATE-atom3" order="1"/> <formula concise="C 7 H 12 O 5" formalCharge="0"/> 176.169 C(=O)(O)CC(O)(C(=O)O)C(C)C
<atom id="2-D-THREO-HYDROXY-3-CARBOXY-ISOCAPROATE-atom1" elementType="O" x2="0.13667" y2="0.44"/> <atom id="2-D-THREO-HYDROXY-3-CARBOXY-ISOCAPROATE-atom2" elementType="O" x2="0.99667" y2="-0.54"/> <atom id="2-D-THREO-HYDROXY-3-CARBOXY-ISOCAPROATE-atom3" elementType="C" x2="-0.20333" y2="-0.31333"/> <atom id="2-D-THREO-HYDROXY-3-CARBOXY-ISOCAPROATE-atom4" elementType="O" x2="0.60333" y2="0.14"/> <atom id="2-D-THREO-HYDROXY-3-CARBOXY-ISOCAPROATE-atom5" elementType="C" x2="0.60333" y2="-0.31333"/> <atom id="2-D-THREO-HYDROXY-3-CARBOXY-ISOCAPROATE-atom6" elementType="C" x2="-0.20333" y2="0.13667"/> <atom id="2-D-THREO-HYDROXY-3-CARBOXY-ISOCAPROATE-atom7" elementType="O" x2="0.19667" y2="-1.0"/> <atom id="2-D-THREO-HYDROXY-3-CARBOXY-ISOCAPROATE-atom8" elementType="C" x2="-0.61" y2="-0.54667"/> <atom id="2-D-THREO-HYDROXY-3-CARBOXY-ISOCAPROATE-atom9" elementType="C" x2="0.19667" y2="-0.54667"/> <atom id="2-D-THREO-HYDROXY-3-CARBOXY-ISOCAPROATE-atom10" elementType="C" x2="-1.0" y2="-0.32"/> <atom id="2-D-THREO-HYDROXY-3-CARBOXY-ISOCAPROATE-atom11" elementType="C" x2="-0.61" y2="-1.0"/> <atom id="2-D-THREO-HYDROXY-3-CARBOXY-ISOCAPROATE-atom12" elementType="O" x2="-0.55667" y2="0.42333"/> <bond id="2-D-THREO-HYDROXY-3-CARBOXY-ISOCAPROATE-bond1" atomRefs="2-D-THREO-HYDROXY-3-CARBOXY-ISOCAPROATE-atom12 2-D-THREO-HYDROXY-3-CARBOXY-ISOCAPROATE-atom6" order="2"/> <bond id="2-D-THREO-HYDROXY-3-CARBOXY-ISOCAPROATE-bond2" atomRefs="2-D-THREO-HYDROXY-3-CARBOXY-ISOCAPROATE-atom11 2-D-THREO-HYDROXY-3-CARBOXY-ISOCAPROATE-atom8" order="1"/> <bond id="2-D-THREO-HYDROXY-3-CARBOXY-ISOCAPROATE-bond3" atomRefs="2-D-THREO-HYDROXY-3-CARBOXY-ISOCAPROATE-atom10 2-D-THREO-HYDROXY-3-CARBOXY-ISOCAPROATE-atom8" order="1"/> <bond id="2-D-THREO-HYDROXY-3-CARBOXY-ISOCAPROATE-bond4" atomRefs="2-D-THREO-HYDROXY-3-CARBOXY-ISOCAPROATE-atom9 2-D-THREO-HYDROXY-3-CARBOXY-ISOCAPROATE-atom3" order="1"/> <bond id="2-D-THREO-HYDROXY-3-CARBOXY-ISOCAPROATE-bond5" atomRefs="2-D-THREO-HYDROXY-3-CARBOXY-ISOCAPROATE-atom8 2-D-THREO-HYDROXY-3-CARBOXY-ISOCAPROATE-atom3" order="1"/> <bond id="2-D-THREO-HYDROXY-3-CARBOXY-ISOCAPROATE-bond6" atomRefs="2-D-THREO-HYDROXY-3-CARBOXY-ISOCAPROATE-atom7 2-D-THREO-HYDROXY-3-CARBOXY-ISOCAPROATE-atom9" order="1"/> <bond id="2-D-THREO-HYDROXY-3-CARBOXY-ISOCAPROATE-bond7" atomRefs="2-D-THREO-HYDROXY-3-CARBOXY-ISOCAPROATE-atom6 2-D-THREO-HYDROXY-3-CARBOXY-ISOCAPROATE-atom3" order="1"/> <bond id="2-D-THREO-HYDROXY-3-CARBOXY-ISOCAPROATE-bond8" atomRefs="2-D-THREO-HYDROXY-3-CARBOXY-ISOCAPROATE-atom5 2-D-THREO-HYDROXY-3-CARBOXY-ISOCAPROATE-atom9" order="1"/> <bond id="2-D-THREO-HYDROXY-3-CARBOXY-ISOCAPROATE-bond9" atomRefs="2-D-THREO-HYDROXY-3-CARBOXY-ISOCAPROATE-atom4 2-D-THREO-HYDROXY-3-CARBOXY-ISOCAPROATE-atom5" order="2"/> <bond id="2-D-THREO-HYDROXY-3-CARBOXY-ISOCAPROATE-bond10" atomRefs="2-D-THREO-HYDROXY-3-CARBOXY-ISOCAPROATE-atom2 2-D-THREO-HYDROXY-3-CARBOXY-ISOCAPROATE-atom5" order="1"/> <bond id="2-D-THREO-HYDROXY-3-CARBOXY-ISOCAPROATE-bond11" atomRefs="2-D-THREO-HYDROXY-3-CARBOXY-ISOCAPROATE-atom1 2-D-THREO-HYDROXY-3-CARBOXY-ISOCAPROATE-atom6" order="1"/> <formula concise="C 7 H 12 O 5" formalCharge="0"/> 176.169 C(O)(=O)C(O)C(C(C)C)C(=O)O
3-ISOPROPYLMALATE DEHYDRATASE SMALL SUBUNIT
<atom id="SER-atom1" elementType="H" x2="-0.00167" y2="0.26878"/> <atom id="SER-atom2" elementType="C" x2="0.67947" y2="-0.36561"/> <atom id="SER-atom3" elementType="C" x2="-0.66945" y2="-0.36561"/> <atom id="SER-atom4" elementType="N" x2="-0.00167" y2="-1.0"/> <atom id="SER-atom5" elementType="C" x2="-0.00167" y2="-0.36561"/> <atom id="SER-atom6" elementType="O" x2="-1.0" y2="0.17529"/> <atom id="SER-atom7" elementType="O" x2="0.99332" y2="0.18531"/> <atom id="SER-atom8" elementType="O" x2="0.99666" y2="-0.91319"/> <bond id="SER-bond1" atomRefs="SER-atom8 SER-atom2" order="1"/> <bond id="SER-bond2" atomRefs="SER-atom7 SER-atom2" order="2"/> <bond id="SER-bond3" atomRefs="SER-atom6 SER-atom3" order="1"/> <bond id="SER-bond4" atomRefs="SER-atom5 SER-atom1" order="1"/> <bond id="SER-bond5" atomRefs="SER-atom5 SER-atom4" order="1"/> <bond id="SER-bond6" atomRefs="SER-atom5 SER-atom2" order="1"/> <bond id="SER-bond7" atomRefs="SER-atom3 SER-atom5" order="1"/> <formula concise="C 3 H 7 N 1 O 3" formalCharge="0"/> 105.093 C(=O)(O)[CH](N)CO
<atom id="HS-atom1" elementType="S" x2="-1.0" y2="-1.0"/> <atom id="HS-atom2" elementType="H" x2="0.99516904" y2="-1.0"/> <atom id="HS-atom3" elementType="H" x2="-1.0" y2="0.99516904"/> <bond id="HS-bond1" atomRefs="HS-atom3 HS-atom1" order="1"/> <bond id="HS-bond2" atomRefs="HS-atom2 HS-atom1" order="1"/> <formula concise="H 2 S 1" formalCharge="0"/> 34.076 [SH2]
<atom id="CYS-atom1" elementType="N" x2="2.4291" y2="-3.4861"/> <atom id="CYS-atom2" elementType="O" x2="3.6637" y2="0.0"/> <atom id="CYS-atom3" elementType="O" x2="4.8902" y2="-2.082"/> <atom id="CYS-atom4" elementType="S" x2="0.0" y2="-2.082"/> <atom id="CYS-atom5" elementType="C" x2="1.2265" y2="-1.4041"/> <atom id="CYS-atom6" elementType="C" x2="3.6637" y2="-1.4041"/> <atom id="CYS-atom7" elementType="C" x2="2.4291" y2="-2.082"/> <bond id="CYS-bond1" atomRefs="CYS-atom6 CYS-atom7" order="1"/> <bond id="CYS-bond2" atomRefs="CYS-atom5 CYS-atom7" order="1"/> <bond id="CYS-bond3" atomRefs="CYS-atom4 CYS-atom5" order="1"/> <bond id="CYS-bond4" atomRefs="CYS-atom3 CYS-atom6" order="1"/> <bond id="CYS-bond5" atomRefs="CYS-atom2 CYS-atom6" order="2"/> <bond id="CYS-bond6" atomRefs="CYS-atom7 CYS-atom1" order="1"/> <formula concise="C 3 H 7 N 1 O 2 S 1" formalCharge="0"/> 121.154 C(S)C(N)C(O)=O
<atom id="ACET-atom1" elementType="C" x2="0.1505" y2="0.0"/> <atom id="ACET-atom2" elementType="C" x2="0.71906" y2="-1.0"/> <atom id="ACET-atom3" elementType="O" x2="0.7291" y2="0.99666" formalCharge="-1"/> <atom id="ACET-atom4" elementType="O" x2="-1.0" y2="0.0"/> <bond id="ACET-bond1" atomRefs="ACET-atom4 ACET-atom1" order="2"/> <bond id="ACET-bond2" atomRefs="ACET-atom3 ACET-atom1" order="1"/> <bond id="ACET-bond3" atomRefs="ACET-atom2 ACET-atom1" order="1"/> <formula concise="C 2 H 3 O 2" formalCharge="-1"/> 59.044 C([O-])(=O)C
<atom id="2-CHLORO-TRANS-DIENELACTONE-atom1" elementType="O" x2="0.5224719" y2="-0.19101125"/> <atom id="2-CHLORO-TRANS-DIENELACTONE-atom2" elementType="O" x2="0.5505618" y2="0.6235955"/> <atom id="2-CHLORO-TRANS-DIENELACTONE-atom3" elementType="C" x2="0.04494381" y2="0.505618"/> <atom id="2-CHLORO-TRANS-DIENELACTONE-atom4" elementType="C" x2="-1.0" y2="0.505618"/> <atom id="2-CHLORO-TRANS-DIENELACTONE-atom5" elementType="C" x2="-1.0" y2="-0.08988762"/> <atom id="2-CHLORO-TRANS-DIENELACTONE-atom6" elementType="C" x2="0.04494381" y2="-0.08988762"/> <atom id="2-CHLORO-TRANS-DIENELACTONE-atom7" elementType="O" x2="-0.4494382" y2="-0.08426964"/> <atom id="2-CHLORO-TRANS-DIENELACTONE-atom8" elementType="O" x2="0.26966298" y2="0.994382"/> <atom id="2-CHLORO-TRANS-DIENELACTONE-atom9" elementType="C" x2="-0.4775281" y2="-0.3932584"/> <atom id="2-CHLORO-TRANS-DIENELACTONE-atom10" elementType="CL" x2="-0.4775281" y2="-1.0"/> <atom id="2-CHLORO-TRANS-DIENELACTONE-atom11" elementType="C" x2="-0.4775281" y2="0.8089888"/> <bond id="2-CHLORO-TRANS-DIENELACTONE-bond1" atomRefs="2-CHLORO-TRANS-DIENELACTONE-atom11 2-CHLORO-TRANS-DIENELACTONE-atom4" order="2"/> <bond id="2-CHLORO-TRANS-DIENELACTONE-bond2" atomRefs="2-CHLORO-TRANS-DIENELACTONE-atom11 2-CHLORO-TRANS-DIENELACTONE-atom3" order="1"/> <bond id="2-CHLORO-TRANS-DIENELACTONE-bond3" atomRefs="2-CHLORO-TRANS-DIENELACTONE-atom9 2-CHLORO-TRANS-DIENELACTONE-atom10" order="1"/> <bond id="2-CHLORO-TRANS-DIENELACTONE-bond4" atomRefs="2-CHLORO-TRANS-DIENELACTONE-atom6 2-CHLORO-TRANS-DIENELACTONE-atom7" order="1"/> <bond id="2-CHLORO-TRANS-DIENELACTONE-bond5" atomRefs="2-CHLORO-TRANS-DIENELACTONE-atom6 2-CHLORO-TRANS-DIENELACTONE-atom9" order="1"/> <bond id="2-CHLORO-TRANS-DIENELACTONE-bond6" atomRefs="2-CHLORO-TRANS-DIENELACTONE-atom6 2-CHLORO-TRANS-DIENELACTONE-atom1" order="2"/> <bond id="2-CHLORO-TRANS-DIENELACTONE-bond7" atomRefs="2-CHLORO-TRANS-DIENELACTONE-atom5 2-CHLORO-TRANS-DIENELACTONE-atom9" order="2"/> <bond id="2-CHLORO-TRANS-DIENELACTONE-bond8" atomRefs="2-CHLORO-TRANS-DIENELACTONE-atom4 2-CHLORO-TRANS-DIENELACTONE-atom7" order="1"/> <bond id="2-CHLORO-TRANS-DIENELACTONE-bond9" atomRefs="2-CHLORO-TRANS-DIENELACTONE-atom4 2-CHLORO-TRANS-DIENELACTONE-atom5" order="1"/> <bond id="2-CHLORO-TRANS-DIENELACTONE-bond10" atomRefs="2-CHLORO-TRANS-DIENELACTONE-atom3 2-CHLORO-TRANS-DIENELACTONE-atom8" order="1"/> <bond id="2-CHLORO-TRANS-DIENELACTONE-bond11" atomRefs="2-CHLORO-TRANS-DIENELACTONE-atom3 2-CHLORO-TRANS-DIENELACTONE-atom2" order="2"/> <formula concise="C 6 H 3 O 4 CL 1" formalCharge="0"/> 174.54 C(=O)(O)C=C1(OC(=O)C(Cl)=C1)
<atom id="2-CHLOROMALEYLACETATE-atom1" elementType="CL" x2="-0.5463414" y2="-1.0"/> <atom id="2-CHLOROMALEYLACETATE-atom2" elementType="O" x2="0.32195127" y2="-0.297561"/> <atom id="2-CHLOROMALEYLACETATE-atom3" elementType="O" x2="0.3463415" y2="0.40975606"/> <atom id="2-CHLOROMALEYLACETATE-atom4" elementType="C" x2="-0.0926829" y2="0.30731702"/> <atom id="2-CHLOROMALEYLACETATE-atom5" elementType="C" x2="-1.0" y2="0.30731702"/> <atom id="2-CHLOROMALEYLACETATE-atom6" elementType="C" x2="-1.0" y2="-0.20975608"/> <atom id="2-CHLOROMALEYLACETATE-atom7" elementType="C" x2="-0.0926829" y2="-0.20975608"/> <atom id="2-CHLOROMALEYLACETATE-atom8" elementType="O" x2="0.112195134" y2="-0.6195122"/> <atom id="2-CHLOROMALEYLACETATE-atom9" elementType="O" x2="0.102439046" y2="0.73170733"/> <atom id="2-CHLOROMALEYLACETATE-atom10" elementType="C" x2="-0.5463414" y2="-0.47317076"/> <atom id="2-CHLOROMALEYLACETATE-atom11" elementType="C" x2="-0.5463414" y2="0.57073176"/> <atom id="2-CHLOROMALEYLACETATE-atom12" elementType="O" x2="-0.5414634" y2="0.99512196"/> <bond id="2-CHLOROMALEYLACETATE-bond1" atomRefs="2-CHLOROMALEYLACETATE-atom11 2-CHLOROMALEYLACETATE-atom12" order="2"/> <bond id="2-CHLOROMALEYLACETATE-bond2" atomRefs="2-CHLOROMALEYLACETATE-atom11 2-CHLOROMALEYLACETATE-atom4" order="1"/> <bond id="2-CHLOROMALEYLACETATE-bond3" atomRefs="2-CHLOROMALEYLACETATE-atom11 2-CHLOROMALEYLACETATE-atom5" order="2"/> <bond id="2-CHLOROMALEYLACETATE-bond4" atomRefs="2-CHLOROMALEYLACETATE-atom10 2-CHLOROMALEYLACETATE-atom1" order="1"/> <bond id="2-CHLOROMALEYLACETATE-bond5" atomRefs="2-CHLOROMALEYLACETATE-atom7 2-CHLOROMALEYLACETATE-atom2" order="2"/> <bond id="2-CHLOROMALEYLACETATE-bond6" atomRefs="2-CHLOROMALEYLACETATE-atom7 2-CHLOROMALEYLACETATE-atom10" order="1"/> <bond id="2-CHLOROMALEYLACETATE-bond7" atomRefs="2-CHLOROMALEYLACETATE-atom7 2-CHLOROMALEYLACETATE-atom8" order="1"/> <bond id="2-CHLOROMALEYLACETATE-bond8" atomRefs="2-CHLOROMALEYLACETATE-atom6 2-CHLOROMALEYLACETATE-atom10" order="2"/> <bond id="2-CHLOROMALEYLACETATE-bond9" atomRefs="2-CHLOROMALEYLACETATE-atom5 2-CHLOROMALEYLACETATE-atom6" order="1"/> <bond id="2-CHLOROMALEYLACETATE-bond10" atomRefs="2-CHLOROMALEYLACETATE-atom4 2-CHLOROMALEYLACETATE-atom3" order="2"/> <bond id="2-CHLOROMALEYLACETATE-bond11" atomRefs="2-CHLOROMALEYLACETATE-atom4 2-CHLOROMALEYLACETATE-atom9" order="1"/> <formula concise="C 6 H 4 O 5 CL 1" formalCharge="0"/> 191.548 C(O)(=O)C(=O)=CC=C(Cl)C(=O)O
<atom id="L-4-HYDROXY-PROLINE-atom1" elementType="O" x2="1.8344" y2="-1.0153"/> <atom id="L-4-HYDROXY-PROLINE-atom2" elementType="O" x2="-1.7818" y2="0.9216"/> <atom id="L-4-HYDROXY-PROLINE-atom3" elementType="N" x2="-0.4008" y2="-0.869"/> <atom id="L-4-HYDROXY-PROLINE-atom4" elementType="C" x2="-1.1616" y2="-0.3774"/> <atom id="L-4-HYDROXY-PROLINE-atom5" elementType="C" x2="0.3482" y2="0.3833"/> <atom id="L-4-HYDROXY-PROLINE-atom6" elementType="C" x2="0.3482" y2="-0.3774"/> <atom id="L-4-HYDROXY-PROLINE-atom7" elementType="C" x2="-1.1616" y2="0.3833"/> <atom id="L-4-HYDROXY-PROLINE-atom8" elementType="C" x2="1.0094" y2="-1.0153"/> <atom id="L-4-HYDROXY-PROLINE-atom9" elementType="O" x2="1.0094" y2="-1.8403"/> <bond id="L-4-HYDROXY-PROLINE-bond1" atomRefs="L-4-HYDROXY-PROLINE-atom9 L-4-HYDROXY-PROLINE-atom8" order="2"/> <bond id="L-4-HYDROXY-PROLINE-bond2" atomRefs="L-4-HYDROXY-PROLINE-atom6 L-4-HYDROXY-PROLINE-atom8" order="1"/> <bond id="L-4-HYDROXY-PROLINE-bond3" atomRefs="L-4-HYDROXY-PROLINE-atom7 L-4-HYDROXY-PROLINE-atom5" order="1"/> <bond id="L-4-HYDROXY-PROLINE-bond4" atomRefs="L-4-HYDROXY-PROLINE-atom2 L-4-HYDROXY-PROLINE-atom7" order="1"/> <bond id="L-4-HYDROXY-PROLINE-bond5" atomRefs="L-4-HYDROXY-PROLINE-atom7 L-4-HYDROXY-PROLINE-atom4" order="1"/> <bond id="L-4-HYDROXY-PROLINE-bond6" atomRefs="L-4-HYDROXY-PROLINE-atom6 L-4-HYDROXY-PROLINE-atom3" order="1"/> <bond id="L-4-HYDROXY-PROLINE-bond7" atomRefs="L-4-HYDROXY-PROLINE-atom6 L-4-HYDROXY-PROLINE-atom5" order="1"/> <bond id="L-4-HYDROXY-PROLINE-bond8" atomRefs="L-4-HYDROXY-PROLINE-atom4 L-4-HYDROXY-PROLINE-atom3" order="1"/> <bond id="L-4-HYDROXY-PROLINE-bond9" atomRefs="L-4-HYDROXY-PROLINE-atom1 L-4-HYDROXY-PROLINE-atom8" order="1"/> <formula concise="C 5 H 9 N 1 O 3" formalCharge="0"/> 131.131 C1(C(O)CC(N1)C(=O)O) L-Proline, 4-hydroxy-, trans-
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elementType="C" x2="0.88448846" y2="-0.013201321"/> <atom id="FAD-atom57" elementType="N" x2="0.5841584" y2="0.83168316"/> <bond id="FAD-bond1" atomRefs="FAD-atom57 FAD-atom15" order="1"/> <bond id="FAD-bond2" atomRefs="FAD-atom56 FAD-atom41" order="1"/> <bond id="FAD-bond3" atomRefs="FAD-atom56 FAD-atom6" order="1"/> <bond id="FAD-bond4" atomRefs="FAD-atom55 FAD-atom22" order="1"/> <bond id="FAD-bond5" atomRefs="FAD-atom54 FAD-atom26" order="1"/> <bond id="FAD-bond6" atomRefs="FAD-atom53 FAD-atom50" order="1"/> <bond id="FAD-bond7" atomRefs="FAD-atom52 FAD-atom7" order="1"/> <bond id="FAD-bond8" atomRefs="FAD-atom51 FAD-atom10" order="2"/> <bond id="FAD-bond9" atomRefs="FAD-atom50 FAD-atom30" order="1"/> <bond id="FAD-bond10" atomRefs="FAD-atom49 FAD-atom12" order="1"/> <bond id="FAD-bond11" atomRefs="FAD-atom48 FAD-atom31" order="1"/> <bond id="FAD-bond12" atomRefs="FAD-atom47 FAD-atom2" order="A"/> <bond id="FAD-bond13" atomRefs="FAD-atom46 FAD-atom41" order="1"/> <bond id="FAD-bond14" atomRefs="FAD-atom45 FAD-atom41" order="1"/> <bond id="FAD-bond15" atomRefs="FAD-atom44 FAD-atom19" order="2"/> <bond id="FAD-bond16" atomRefs="FAD-atom43 FAD-atom42" order="A"/> <bond id="FAD-bond17" atomRefs="FAD-atom43 FAD-atom15" order="A"/> <bond id="FAD-bond18" atomRefs="FAD-atom42 FAD-atom16" order="A"/> <bond id="FAD-bond19" atomRefs="FAD-atom40 FAD-atom26" order="1"/> <bond id="FAD-bond20" atomRefs="FAD-atom39 FAD-atom56" order="1"/> <bond id="FAD-bond21" atomRefs="FAD-atom38 FAD-atom43" order="A"/> <bond id="FAD-bond22" atomRefs="FAD-atom37 FAD-atom13" order="A"/> <bond id="FAD-bond23" atomRefs="FAD-atom36 FAD-atom14" order="1"/> <bond id="FAD-bond24" atomRefs="FAD-atom34 FAD-atom5" order="A"/> <bond id="FAD-bond25" atomRefs="FAD-atom33 FAD-atom24" order="A"/> <bond id="FAD-bond26" atomRefs="FAD-atom33 FAD-atom34" order="A"/> <bond id="FAD-bond27" atomRefs="FAD-atom32 FAD-atom21" order="A"/> <bond id="FAD-bond28" atomRefs="FAD-atom32 FAD-atom4" order="2"/> <bond id="FAD-bond29" atomRefs="FAD-atom31 FAD-atom14" order="1"/> <bond id="FAD-bond30" atomRefs="FAD-atom30 FAD-atom20" order="1"/> <bond id="FAD-bond31" atomRefs="FAD-atom29 FAD-atom56" order="1"/> <bond id="FAD-bond32" atomRefs="FAD-atom28 FAD-atom33" order="A"/> <bond id="FAD-bond33" atomRefs="FAD-atom27 FAD-atom23" order="1"/> <bond id="FAD-bond34" atomRefs="FAD-atom26 FAD-atom41" order="1"/> <bond id="FAD-bond35" atomRefs="FAD-atom25 FAD-atom26" order="1"/> <bond id="FAD-bond36" atomRefs="FAD-atom25 FAD-atom29" order="1"/> <bond id="FAD-bond37" atomRefs="FAD-atom24 FAD-atom37" order="A"/> <bond id="FAD-bond38" atomRefs="FAD-atom23 FAD-atom18" order="1"/> <bond id="FAD-bond39" atomRefs="FAD-atom22 FAD-atom31" order="1"/> <bond id="FAD-bond40" atomRefs="FAD-atom21 FAD-atom55" order="1"/> <bond id="FAD-bond41" atomRefs="FAD-atom21 FAD-atom24" order="A"/> <bond id="FAD-bond42" atomRefs="FAD-atom20 FAD-atom25" order="1"/> <bond id="FAD-bond43" atomRefs="FAD-atom19 FAD-atom4" order="1"/> <bond id="FAD-bond44" atomRefs="FAD-atom18 FAD-atom50" order="1"/> <bond id="FAD-bond45" atomRefs="FAD-atom17 FAD-atom23" order="2"/> <bond id="FAD-bond46" atomRefs="FAD-atom16 FAD-atom6" order="A"/> <bond id="FAD-bond47" atomRefs="FAD-atom15 FAD-atom47" order="A"/> <bond id="FAD-bond48" atomRefs="FAD-atom14 FAD-atom52" order="1"/> <bond id="FAD-bond49" atomRefs="FAD-atom13 FAD-atom12" order="A"/> <bond id="FAD-bond50" atomRefs="FAD-atom12 FAD-atom28" order="A"/> <bond id="FAD-bond51" atomRefs="FAD-atom11 FAD-atom50" order="2"/> <bond id="FAD-bond52" atomRefs="FAD-atom10 FAD-atom1" order="1"/> <bond id="FAD-bond53" atomRefs="FAD-atom10 FAD-atom5" order="1"/> <bond id="FAD-bond54" atomRefs="FAD-atom9 FAD-atom13" order="1"/> <bond id="FAD-bond55" atomRefs="FAD-atom8 FAD-atom22" order="1"/> <bond id="FAD-bond56" atomRefs="FAD-atom7 FAD-atom23" order="1"/> <bond id="FAD-bond57" atomRefs="FAD-atom6 FAD-atom38" order="A"/> <bond id="FAD-bond58" atomRefs="FAD-atom5 FAD-atom32" order="A"/> <bond id="FAD-bond59" atomRefs="FAD-atom3 FAD-atom38" order="A"/> <bond id="FAD-bond60" atomRefs="FAD-atom2 FAD-atom3" order="A"/> <bond id="FAD-bond61" atomRefs="FAD-atom1 FAD-atom19" order="1"/> <bond id="FAD-bond62" atomRefs="FAD-atom1 FAD-atom35" order="1"/> <formula concise="C 27 H 33 N 9 O 15 P 2" formalCharge="0"/> 785.556 Cc3(cc2(n(c1(c(C(=O)[NH]C(=O)N=1)nc2cc(C)3))CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC4(O[CH]([CH](O)[CH](O)4)n5(c6(c(nc5)c(N)ncn6)))))
<atom id="PYRROLINE-HYDROXY-CARBOXYLATE-atom1" elementType="O" x2="0.61477" y2="-1.0"/> <atom id="PYRROLINE-HYDROXY-CARBOXYLATE-atom2" elementType="O" x2="-1.0" y2="0.33547"/> <atom id="PYRROLINE-HYDROXY-CARBOXYLATE-atom3" elementType="N" x2="-0.23274" y2="-0.60193"/> <atom id="PYRROLINE-HYDROXY-CARBOXYLATE-atom4" elementType="O" x2="0.99679" y2="-0.22632"/> <atom id="PYRROLINE-HYDROXY-CARBOXYLATE-atom5" elementType="C" x2="0.14928" y2="0.04013"/> <atom id="PYRROLINE-HYDROXY-CARBOXYLATE-atom6" elementType="C" x2="0.14928" y2="-0.35474"/> <atom id="PYRROLINE-HYDROXY-CARBOXYLATE-atom7" elementType="C" x2="-0.61798" y2="0.04013"/> <atom id="PYRROLINE-HYDROXY-CARBOXYLATE-atom8" elementType="C" x2="0.61477" y2="-0.51846"/> <atom id="PYRROLINE-HYDROXY-CARBOXYLATE-atom9" elementType="C" x2="-0.61798" y2="-0.35474"/> <bond id="PYRROLINE-HYDROXY-CARBOXYLATE-bond1" atomRefs="PYRROLINE-HYDROXY-CARBOXYLATE-atom9 PYRROLINE-HYDROXY-CARBOXYLATE-atom3" order="2"/> <bond id="PYRROLINE-HYDROXY-CARBOXYLATE-bond2" atomRefs="PYRROLINE-HYDROXY-CARBOXYLATE-atom8 PYRROLINE-HYDROXY-CARBOXYLATE-atom6" order="1"/> <bond id="PYRROLINE-HYDROXY-CARBOXYLATE-bond3" atomRefs="PYRROLINE-HYDROXY-CARBOXYLATE-atom7 PYRROLINE-HYDROXY-CARBOXYLATE-atom2" order="1"/> <bond id="PYRROLINE-HYDROXY-CARBOXYLATE-bond4" atomRefs="PYRROLINE-HYDROXY-CARBOXYLATE-atom7 PYRROLINE-HYDROXY-CARBOXYLATE-atom9" order="1"/> <bond id="PYRROLINE-HYDROXY-CARBOXYLATE-bond5" atomRefs="PYRROLINE-HYDROXY-CARBOXYLATE-atom6 PYRROLINE-HYDROXY-CARBOXYLATE-atom3" order="1"/> <bond id="PYRROLINE-HYDROXY-CARBOXYLATE-bond6" atomRefs="PYRROLINE-HYDROXY-CARBOXYLATE-atom5 PYRROLINE-HYDROXY-CARBOXYLATE-atom7" order="1"/> <bond id="PYRROLINE-HYDROXY-CARBOXYLATE-bond7" atomRefs="PYRROLINE-HYDROXY-CARBOXYLATE-atom5 PYRROLINE-HYDROXY-CARBOXYLATE-atom6" order="1"/> <bond id="PYRROLINE-HYDROXY-CARBOXYLATE-bond8" atomRefs="PYRROLINE-HYDROXY-CARBOXYLATE-atom4 PYRROLINE-HYDROXY-CARBOXYLATE-atom8" order="2"/> <bond id="PYRROLINE-HYDROXY-CARBOXYLATE-bond9" atomRefs="PYRROLINE-HYDROXY-CARBOXYLATE-atom1 PYRROLINE-HYDROXY-CARBOXYLATE-atom8" order="1"/> <formula concise="C 5 H 7 N 1 O 3" formalCharge="0"/> 129.115 C(O)(=O)C1(N=CC(O)C1)
L-Δ1-pyrroline 3-hydroxy-5-carboxylate
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order="A"/> <bond id="FADH2-bond64" atomRefs="FADH2-atom1 FADH2-atom56" order="1"/> <formula concise="C 27 H 35 N 9 O 15 P 2" formalCharge="0"/> 787.572 Cc3(cc2(N(c1(c(c(=O)[nH]c(=O)[nH]1)[NH]c2cc(C)3))CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC4(O[CH]([CH](O)[CH]4O)n5(c6(c(nc5)c(N)ncn6)))))
Maltodextrins are linear polymers of glucose molecules joined by an O-glycosidic (α-1->4) bond. Maltodextrins are formed from the partial hydrolysis of starch and glycogen. It is a mixture of glucose, maltose (two glucose units), oligosaccharides, and polysaccharides.
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order="1"/> <bond id="MALTOTETRAOSE-bond28" atomRefs="MALTOTETRAOSE-atom20 MALTOTETRAOSE-atom36" order="1"/> <bond id="MALTOTETRAOSE-bond29" atomRefs="MALTOTETRAOSE-atom19 MALTOTETRAOSE-atom37" order="1"/> <bond id="MALTOTETRAOSE-bond30" atomRefs="MALTOTETRAOSE-atom19 MALTOTETRAOSE-atom26" order="1"/> <bond id="MALTOTETRAOSE-bond31" atomRefs="MALTOTETRAOSE-atom39 MALTOTETRAOSE-atom18" order="1"/> <bond id="MALTOTETRAOSE-bond32" atomRefs="MALTOTETRAOSE-atom38 MALTOTETRAOSE-atom17" order="1"/> <bond id="MALTOTETRAOSE-bond33" atomRefs="MALTOTETRAOSE-atom37 MALTOTETRAOSE-atom16" order="1"/> <bond id="MALTOTETRAOSE-bond34" atomRefs="MALTOTETRAOSE-atom36 MALTOTETRAOSE-atom15" order="1"/> <bond id="MALTOTETRAOSE-bond35" atomRefs="MALTOTETRAOSE-atom35 MALTOTETRAOSE-atom14" order="1"/> <bond id="MALTOTETRAOSE-bond36" atomRefs="MALTOTETRAOSE-atom34 MALTOTETRAOSE-atom13" order="1"/> <bond id="MALTOTETRAOSE-bond37" atomRefs="MALTOTETRAOSE-atom33 MALTOTETRAOSE-atom12" order="1"/> <bond id="MALTOTETRAOSE-bond38" atomRefs="MALTOTETRAOSE-atom32 MALTOTETRAOSE-atom11" order="1"/> <bond id="MALTOTETRAOSE-bond39" atomRefs="MALTOTETRAOSE-atom31 MALTOTETRAOSE-atom10" order="1"/> <bond id="MALTOTETRAOSE-bond40" atomRefs="MALTOTETRAOSE-atom30 MALTOTETRAOSE-atom9" order="1"/> <bond id="MALTOTETRAOSE-bond41" atomRefs="MALTOTETRAOSE-atom29 MALTOTETRAOSE-atom8" order="1"/> <bond id="MALTOTETRAOSE-bond42" atomRefs="MALTOTETRAOSE-atom28 MALTOTETRAOSE-atom7" order="1"/> <bond id="MALTOTETRAOSE-bond43" atomRefs="MALTOTETRAOSE-atom27 MALTOTETRAOSE-atom6" order="1"/> <bond id="MALTOTETRAOSE-bond44" atomRefs="MALTOTETRAOSE-atom26 MALTOTETRAOSE-atom5" order="1"/> <bond id="MALTOTETRAOSE-bond45" atomRefs="MALTOTETRAOSE-atom4 MALTOTETRAOSE-atom18" order="1"/> <bond id="MALTOTETRAOSE-bond46" atomRefs="MALTOTETRAOSE-atom3 MALTOTETRAOSE-atom17" order="1"/> <bond id="MALTOTETRAOSE-bond47" atomRefs="MALTOTETRAOSE-atom2 MALTOTETRAOSE-atom16" order="1"/> <bond id="MALTOTETRAOSE-bond48" atomRefs="MALTOTETRAOSE-atom1 MALTOTETRAOSE-atom15" order="1"/> <formula concise="C 24 H 42 O 21" formalCharge="0"/> 666.583 C(O)C1(OC(C(O)C(O)C1O)OC2(C(CO)OC(C(O)C2O)OC3(C(CO)OC(C(O)C3O)OC4(C(CO)OC(O)C(O)C4O))))
<atom id="COUMARATE-atom1" elementType="C" x2="-0.69666666" y2="-0.70666665"/> <atom id="COUMARATE-atom2" elementType="C" x2="0.72" y2="-0.88"/> <atom id="COUMARATE-atom3" elementType="C" x2="-0.24333334" y2="-0.96666664"/> <atom id="COUMARATE-atom4" elementType="O" x2="0.99666667" y2="-1.0"/> <atom id="COUMARATE-atom5" elementType="C" x2="-0.24000001" y2="-0.44666666"/> <atom id="COUMARATE-atom6" elementType="C" x2="-0.53666663" y2="-0.44666666"/> <atom id="COUMARATE-atom7" elementType="O" x2="-1.0" y2="-0.70666665"/> <atom id="COUMARATE-atom8" elementType="O" x2="0.97333336" y2="-0.7166667"/> <atom id="COUMARATE-atom9" elementType="C" x2="0.14666665" y2="-0.86"/> <atom id="COUMARATE-atom10" elementType="C" x2="-0.53666663" y2="-0.96666664"/> <atom id="COUMARATE-atom11" elementType="C" x2="0.42000008" y2="-0.69666666"/> <atom id="COUMARATE-atom12" elementType="C" x2="-0.093333304" y2="-0.70666665"/> <bond id="COUMARATE-bond1" atomRefs="COUMARATE-atom12 COUMARATE-atom9" order="1"/> <bond id="COUMARATE-bond2" atomRefs="COUMARATE-atom12 COUMARATE-atom5" order="A"/> <bond id="COUMARATE-bond3" atomRefs="COUMARATE-atom11 COUMARATE-atom2" order="1"/> <bond id="COUMARATE-bond4" atomRefs="COUMARATE-atom10 COUMARATE-atom3" order="A"/> <bond id="COUMARATE-bond5" atomRefs="COUMARATE-atom9 COUMARATE-atom11" order="2"/> <bond id="COUMARATE-bond6" atomRefs="COUMARATE-atom8 COUMARATE-atom2" order="2"/> <bond id="COUMARATE-bond7" atomRefs="COUMARATE-atom7 COUMARATE-atom1" order="1"/> <bond id="COUMARATE-bond8" atomRefs="COUMARATE-atom6 COUMARATE-atom1" order="A"/> <bond id="COUMARATE-bond9" atomRefs="COUMARATE-atom5 COUMARATE-atom6" order="A"/> <bond id="COUMARATE-bond10" atomRefs="COUMARATE-atom3 COUMARATE-atom12" order="A"/> <bond id="COUMARATE-bond11" atomRefs="COUMARATE-atom2 COUMARATE-atom4" order="1"/> <bond id="COUMARATE-bond12" atomRefs="COUMARATE-atom1 COUMARATE-atom10" order="A"/> <formula concise="C 9 H 8 O 3" formalCharge="0"/> 164.16 C(O)(=O)C=Cc1(ccc(O)cc1)
<atom id="CAFFEATE-atom1" elementType="O" x2="-1.0" y2="-0.70227"/> <atom id="CAFFEATE-atom2" elementType="C" x2="0.42071" y2="-0.69579"/> <atom id="CAFFEATE-atom3" elementType="C" x2="0.14887" y2="-0.85761"/> <atom id="CAFFEATE-atom4" elementType="C" x2="0.72168" y2="-0.87702"/> <atom id="CAFFEATE-atom5" elementType="O" x2="0.99676" y2="-1.0"/> <atom id="CAFFEATE-atom6" elementType="O" x2="0.97735" y2="-0.71521"/> <atom id="CAFFEATE-atom7" elementType="C" x2="-0.69903" y2="-0.70227"/> <atom id="CAFFEATE-atom8" elementType="C" x2="-0.09061" y2="-0.70227"/> <atom id="CAFFEATE-atom9" elementType="C" x2="-0.54045" y2="-0.9644"/> <atom id="CAFFEATE-atom10" elementType="C" x2="-0.54045" y2="-0.44337"/> <atom id="CAFFEATE-atom11" elementType="O" x2="-0.71521" y2="-0.19741"/> <atom id="CAFFEATE-atom12" elementType="C" x2="-0.24272" y2="-0.9644"/> <atom id="CAFFEATE-atom13" elementType="C" x2="-0.24272" y2="-0.44337"/> <bond id="CAFFEATE-bond1" atomRefs="CAFFEATE-atom13 CAFFEATE-atom8" order="A"/> <bond id="CAFFEATE-bond2" atomRefs="CAFFEATE-atom8 CAFFEATE-atom12" order="A"/> <bond id="CAFFEATE-bond3" atomRefs="CAFFEATE-atom11 CAFFEATE-atom10" order="1"/> <bond id="CAFFEATE-bond4" atomRefs="CAFFEATE-atom10 CAFFEATE-atom13" order="A"/> <bond id="CAFFEATE-bond5" atomRefs="CAFFEATE-atom12 CAFFEATE-atom9" order="A"/> <bond id="CAFFEATE-bond6" atomRefs="CAFFEATE-atom8 CAFFEATE-atom3" order="1"/> <bond id="CAFFEATE-bond7" atomRefs="CAFFEATE-atom9 CAFFEATE-atom7" order="A"/> <bond id="CAFFEATE-bond8" atomRefs="CAFFEATE-atom7 CAFFEATE-atom10" order="A"/> <bond id="CAFFEATE-bond9" atomRefs="CAFFEATE-atom6 CAFFEATE-atom4" order="2"/> <bond id="CAFFEATE-bond10" atomRefs="CAFFEATE-atom4 CAFFEATE-atom5" order="1"/> <bond id="CAFFEATE-bond11" atomRefs="CAFFEATE-atom3 CAFFEATE-atom2" order="2"/> <bond id="CAFFEATE-bond12" atomRefs="CAFFEATE-atom2 CAFFEATE-atom4" order="1"/> <bond id="CAFFEATE-bond13" atomRefs="CAFFEATE-atom1 CAFFEATE-atom7" order="1"/> <formula concise="C 9 H 8 O 4" formalCharge="0"/> 180.16 C(O)(=O)C=Cc1(cc(O)c(O)cc1)
<atom id="UDP-SULFOQUINOVOSE-atom1" elementType="H" x2="15.2932" y2="-9.2962"/> <atom id="UDP-SULFOQUINOVOSE-atom2" elementType="O" x2="17.681" y2="-10.6388"/> <atom id="UDP-SULFOQUINOVOSE-atom3" elementType="O" x2="15.3031" y2="-6.5171"/> <atom id="UDP-SULFOQUINOVOSE-atom4" elementType="O" x2="10.2481" y2="-5.5161"/> <atom id="UDP-SULFOQUINOVOSE-atom5" elementType="O" x2="7.5077" y2="-5.5161"/> <atom id="UDP-SULFOQUINOVOSE-atom6" elementType="O" x2="2.754" y2="-5.5196"/> <atom id="UDP-SULFOQUINOVOSE-atom7" elementType="O" x2="0.0" y2="-5.5196"/> <atom id="UDP-SULFOQUINOVOSE-atom8" elementType="O" x2="3.7517" y2="0.0"/> <atom id="UDP-SULFOQUINOVOSE-atom9" elementType="O" x2="1.3803" y2="-1.3903"/> <atom id="UDP-SULFOQUINOVOSE-atom10" elementType="O" x2="13.5464" y2="-2.212"/> <atom id="UDP-SULFOQUINOVOSE-atom11" elementType="O" x2="6.1442" y2="-1.387"/> <atom id="UDP-SULFOQUINOVOSE-atom12" elementType="O" x2="16.5382" y2="-2.2099"/> <atom id="UDP-SULFOQUINOVOSE-atom13" elementType="O" x2="10.2439" y2="-2.7772"/> <atom id="UDP-SULFOQUINOVOSE-atom14" elementType="O" x2="7.5077" y2="-2.7772"/> <atom id="UDP-SULFOQUINOVOSE-atom15" elementType="O" x2="1.377" y2="-6.8966"/> <atom id="UDP-SULFOQUINOVOSE-atom16" elementType="C" x2="18.8861" y2="-8.5845"/> <atom id="UDP-SULFOQUINOVOSE-atom17" elementType="C" x2="18.8861" y2="-7.1997"/> <atom id="UDP-SULFOQUINOVOSE-atom18" elementType="C" x2="12.6389" y2="-5.0558"/> <atom id="UDP-SULFOQUINOVOSE-atom19" elementType="C" x2="1.377" y2="-4.1426"/> <atom id="UDP-SULFOQUINOVOSE-atom20" elementType="O" x2="11.6176" y2="-4.1436"/> <atom id="UDP-SULFOQUINOVOSE-atom21" elementType="O" x2="3.7621" y2="-4.1426"/> <atom id="UDP-SULFOQUINOVOSE-atom22" elementType="O" x2="15.0398" y2="-5.4248"/> <atom id="UDP-SULFOQUINOVOSE-atom23" elementType="O" x2="6.141" y2="-4.1421"/> <atom id="UDP-SULFOQUINOVOSE-atom24" elementType="O" x2="8.8771" y2="-4.1466"/> <atom id="UDP-SULFOQUINOVOSE-atom25" elementType="C" x2="17.6847" y2="-9.2694"/> <atom id="UDP-SULFOQUINOVOSE-atom26" elementType="C" x2="16.4988" y2="-7.1997"/> <atom id="UDP-SULFOQUINOVOSE-atom27" elementType="C" x2="3.7557" y2="-1.3695"/> <atom id="UDP-SULFOQUINOVOSE-atom28" elementType="C" x2="2.5695" y2="-2.0695"/> <atom id="UDP-SULFOQUINOVOSE-atom29" elementType="C" x2="14.3552" y2="-3.3171"/> <atom id="UDP-SULFOQUINOVOSE-atom30" elementType="C" x2="4.957" y2="-2.0695"/> <atom id="UDP-SULFOQUINOVOSE-atom31" elementType="C" x2="15.7322" y2="-3.3171"/> <atom id="UDP-SULFOQUINOVOSE-atom32" elementType="C" x2="13.9396" y2="-4.6275"/> <atom id="UDP-SULFOQUINOVOSE-atom33" elementType="C" x2="2.5695" y2="-3.4541"/> <atom id="UDP-SULFOQUINOVOSE-atom34" elementType="C" x2="4.957" y2="-3.4541"/> <atom id="UDP-SULFOQUINOVOSE-atom35" elementType="C" x2="16.1556" y2="-4.6275"/> <atom id="UDP-SULFOQUINOVOSE-atom36" elementType="N" x2="16.4988" y2="-8.5845"/> <atom id="UDP-SULFOQUINOVOSE-atom37" elementType="N" x2="17.6847" y2="-6.4999"/> <atom id="UDP-SULFOQUINOVOSE-atom38" elementType="P" x2="10.2466" y2="-4.1466"/> <atom id="UDP-SULFOQUINOVOSE-atom39" elementType="P" x2="7.5077" y2="-4.1466"/> <atom id="UDP-SULFOQUINOVOSE-atom40" elementType="S" x2="1.377" y2="-5.5196"/> <bond id="UDP-SULFOQUINOVOSE-bond1" atomRefs="UDP-SULFOQUINOVOSE-atom35 UDP-SULFOQUINOVOSE-atom37" order="1"/> <bond id="UDP-SULFOQUINOVOSE-bond2" atomRefs="UDP-SULFOQUINOVOSE-atom31 UDP-SULFOQUINOVOSE-atom35" order="1"/> <bond id="UDP-SULFOQUINOVOSE-bond3" atomRefs="UDP-SULFOQUINOVOSE-atom30 UDP-SULFOQUINOVOSE-atom34" order="1"/> <bond id="UDP-SULFOQUINOVOSE-bond4" atomRefs="UDP-SULFOQUINOVOSE-atom29 UDP-SULFOQUINOVOSE-atom32" order="1"/> <bond id="UDP-SULFOQUINOVOSE-bond5" atomRefs="UDP-SULFOQUINOVOSE-atom29 UDP-SULFOQUINOVOSE-atom31" order="1"/> <bond id="UDP-SULFOQUINOVOSE-bond6" atomRefs="UDP-SULFOQUINOVOSE-atom28 UDP-SULFOQUINOVOSE-atom33" order="1"/> <bond id="UDP-SULFOQUINOVOSE-bond7" atomRefs="UDP-SULFOQUINOVOSE-atom27 UDP-SULFOQUINOVOSE-atom30" order="1"/> <bond id="UDP-SULFOQUINOVOSE-bond8" atomRefs="UDP-SULFOQUINOVOSE-atom27 UDP-SULFOQUINOVOSE-atom28" order="1"/> <bond id="UDP-SULFOQUINOVOSE-bond9" atomRefs="UDP-SULFOQUINOVOSE-atom26 UDP-SULFOQUINOVOSE-atom37" order="A"/> <bond id="UDP-SULFOQUINOVOSE-bond10" atomRefs="UDP-SULFOQUINOVOSE-atom36 UDP-SULFOQUINOVOSE-atom26" order="A"/> <bond id="UDP-SULFOQUINOVOSE-bond11" atomRefs="UDP-SULFOQUINOVOSE-atom25 UDP-SULFOQUINOVOSE-atom36" order="A"/> <bond id="UDP-SULFOQUINOVOSE-bond12" atomRefs="UDP-SULFOQUINOVOSE-atom24 UDP-SULFOQUINOVOSE-atom39" order="1"/> <bond id="UDP-SULFOQUINOVOSE-bond13" atomRefs="UDP-SULFOQUINOVOSE-atom24 UDP-SULFOQUINOVOSE-atom38" order="1"/> <bond id="UDP-SULFOQUINOVOSE-bond14" atomRefs="UDP-SULFOQUINOVOSE-atom23 UDP-SULFOQUINOVOSE-atom39" order="1"/> <bond id="UDP-SULFOQUINOVOSE-bond15" atomRefs="UDP-SULFOQUINOVOSE-atom34 UDP-SULFOQUINOVOSE-atom23" order="1"/> <bond id="UDP-SULFOQUINOVOSE-bond16" atomRefs="UDP-SULFOQUINOVOSE-atom22 UDP-SULFOQUINOVOSE-atom35" order="1"/> <bond id="UDP-SULFOQUINOVOSE-bond17" atomRefs="UDP-SULFOQUINOVOSE-atom22 UDP-SULFOQUINOVOSE-atom32" order="1"/> <bond id="UDP-SULFOQUINOVOSE-bond18" atomRefs="UDP-SULFOQUINOVOSE-atom21 UDP-SULFOQUINOVOSE-atom34" order="1"/> <bond id="UDP-SULFOQUINOVOSE-bond19" atomRefs="UDP-SULFOQUINOVOSE-atom21 UDP-SULFOQUINOVOSE-atom33" order="1"/> <bond id="UDP-SULFOQUINOVOSE-bond20" atomRefs="UDP-SULFOQUINOVOSE-atom20 UDP-SULFOQUINOVOSE-atom38" order="1"/> <bond id="UDP-SULFOQUINOVOSE-bond21" atomRefs="UDP-SULFOQUINOVOSE-atom19 UDP-SULFOQUINOVOSE-atom40" order="1"/> <bond id="UDP-SULFOQUINOVOSE-bond22" atomRefs="UDP-SULFOQUINOVOSE-atom33 UDP-SULFOQUINOVOSE-atom19" order="1"/> <bond id="UDP-SULFOQUINOVOSE-bond23" atomRefs="UDP-SULFOQUINOVOSE-atom32 UDP-SULFOQUINOVOSE-atom18" order="1"/> <bond id="UDP-SULFOQUINOVOSE-bond24" atomRefs="UDP-SULFOQUINOVOSE-atom18 UDP-SULFOQUINOVOSE-atom20" order="1"/> <bond id="UDP-SULFOQUINOVOSE-bond25" atomRefs="UDP-SULFOQUINOVOSE-atom37 UDP-SULFOQUINOVOSE-atom17" order="A"/> <bond id="UDP-SULFOQUINOVOSE-bond26" atomRefs="UDP-SULFOQUINOVOSE-atom16 UDP-SULFOQUINOVOSE-atom25" order="A"/> <bond id="UDP-SULFOQUINOVOSE-bond27" atomRefs="UDP-SULFOQUINOVOSE-atom17 UDP-SULFOQUINOVOSE-atom16" order="A"/> <bond id="UDP-SULFOQUINOVOSE-bond28" atomRefs="UDP-SULFOQUINOVOSE-atom15 UDP-SULFOQUINOVOSE-atom40" order="1"/> <bond id="UDP-SULFOQUINOVOSE-bond29" atomRefs="UDP-SULFOQUINOVOSE-atom14 UDP-SULFOQUINOVOSE-atom39" order="1"/> <bond id="UDP-SULFOQUINOVOSE-bond30" atomRefs="UDP-SULFOQUINOVOSE-atom13 UDP-SULFOQUINOVOSE-atom38" order="1"/> <bond id="UDP-SULFOQUINOVOSE-bond31" atomRefs="UDP-SULFOQUINOVOSE-atom31 UDP-SULFOQUINOVOSE-atom12" order="1"/> <bond id="UDP-SULFOQUINOVOSE-bond32" atomRefs="UDP-SULFOQUINOVOSE-atom30 UDP-SULFOQUINOVOSE-atom11" order="1"/> <bond id="UDP-SULFOQUINOVOSE-bond33" atomRefs="UDP-SULFOQUINOVOSE-atom29 UDP-SULFOQUINOVOSE-atom10" order="1"/> <bond id="UDP-SULFOQUINOVOSE-bond34" atomRefs="UDP-SULFOQUINOVOSE-atom28 UDP-SULFOQUINOVOSE-atom9" order="1"/> <bond id="UDP-SULFOQUINOVOSE-bond35" atomRefs="UDP-SULFOQUINOVOSE-atom27 UDP-SULFOQUINOVOSE-atom8" order="1"/> <bond id="UDP-SULFOQUINOVOSE-bond36" atomRefs="UDP-SULFOQUINOVOSE-atom7 UDP-SULFOQUINOVOSE-atom40" order="2"/> <bond id="UDP-SULFOQUINOVOSE-bond37" atomRefs="UDP-SULFOQUINOVOSE-atom6 UDP-SULFOQUINOVOSE-atom40" order="2"/> <bond id="UDP-SULFOQUINOVOSE-bond38" atomRefs="UDP-SULFOQUINOVOSE-atom5 UDP-SULFOQUINOVOSE-atom39" order="2"/> <bond id="UDP-SULFOQUINOVOSE-bond39" atomRefs="UDP-SULFOQUINOVOSE-atom4 UDP-SULFOQUINOVOSE-atom38" order="2"/> <bond id="UDP-SULFOQUINOVOSE-bond40" atomRefs="UDP-SULFOQUINOVOSE-atom3 UDP-SULFOQUINOVOSE-atom26" order="2"/> <bond id="UDP-SULFOQUINOVOSE-bond41" atomRefs="UDP-SULFOQUINOVOSE-atom2 UDP-SULFOQUINOVOSE-atom25" order="2"/> <bond id="UDP-SULFOQUINOVOSE-bond42" atomRefs="UDP-SULFOQUINOVOSE-atom1 UDP-SULFOQUINOVOSE-atom36" order="1"/> <formula concise="C 15 H 24 N 2 O 19 P 2 S 1" formalCharge="0"/> 630.364 c1(n(c(=O)[nH]c(c1)=O)C2(OC(C(O)C2O)COP(=O)(O)OP(=O)(O)OC3(OC(CS(=O)(O)=O)C(O)C(O)C3O)))
<cml> <molecule id="DIACYLGLYCEROL" title="a 1,2-diacylglycerol" dictRef="dictDIACYLGLYCEROL"> <atomArray> <atom id="DIACYLGLYCEROL-atom1" elementType="O" x2="2.1434" y2="-1.2375"/> <atom id="DIACYLGLYCEROL-atom2" elementType="O" x2="0.7145" y2="-2.8876"/> <atom id="DIACYLGLYCEROL-atom3" elementType="O" x2="0.0" y2="-2.4751"/> <atom id="DIACYLGLYCEROL-atom4" elementType="R1" x2="2.858" y2="0.0"/> <atom id="DIACYLGLYCEROL-atom5" elementType="R2" x2="2.1434" y2="-2.8876"/> <atom id="DIACYLGLYCEROL-atom6" elementType="C" x2="0.0" y2="-1.65"/> <atom id="DIACYLGLYCEROL-atom7" elementType="C" x2="0.7145" y2="-0.4125"/> <atom id="DIACYLGLYCEROL-atom8" elementType="O" x2="1.4289" y2="0.0"/> <atom id="DIACYLGLYCEROL-atom9" elementType="O" x2="1.4289" y2="-1.65"/> <atom id="DIACYLGLYCEROL-atom10" elementType="C" x2="2.1434" y2="-0.4125"/> <atom id="DIACYLGLYCEROL-atom11" elementType="C" x2="1.4289" y2="-2.4751"/> <atom id="DIACYLGLYCEROL-atom12" elementType="C" x2="0.7145" y2="-1.2375"/> </atomArray> <bondArray> <bond id="DIACYLGLYCEROL-bond1" atomRefs="DIACYLGLYCEROL-atom1 DIACYLGLYCEROL-atom10" order="2"/> <bond id="DIACYLGLYCEROL-bond2" atomRefs="DIACYLGLYCEROL-atom2 DIACYLGLYCEROL-atom11" order="2"/> <bond id="DIACYLGLYCEROL-bond3" atomRefs="DIACYLGLYCEROL-atom3 DIACYLGLYCEROL-atom6" order="1"/> <bond id="DIACYLGLYCEROL-bond4" atomRefs="DIACYLGLYCEROL-atom4 DIACYLGLYCEROL-atom10" order="1"/> <bond id="DIACYLGLYCEROL-bond5" atomRefs="DIACYLGLYCEROL-atom5 DIACYLGLYCEROL-atom11" order="1"/> <bond id="DIACYLGLYCEROL-bond6" atomRefs="DIACYLGLYCEROL-atom6 DIACYLGLYCEROL-atom12" order="1"/> <bond id="DIACYLGLYCEROL-bond7" atomRefs="DIACYLGLYCEROL-atom7 DIACYLGLYCEROL-atom8" order="1"/> <bond id="DIACYLGLYCEROL-bond8" atomRefs="DIACYLGLYCEROL-atom7 DIACYLGLYCEROL-atom12" order="1"/> <bond id="DIACYLGLYCEROL-bond9" atomRefs="DIACYLGLYCEROL-atom8 DIACYLGLYCEROL-atom10" order="1"/> <bond id="DIACYLGLYCEROL-bond10" atomRefs="DIACYLGLYCEROL-atom9 DIACYLGLYCEROL-atom11" order="1"/> <bond id="DIACYLGLYCEROL-bond11" atomRefs="DIACYLGLYCEROL-atom12 DIACYLGLYCEROL-atom9" order="1"/> </bondArray> <formula concise="C 5 H 6 O 5 R1 1 R2 1" formalCharge="0"/> <string title="smiles">C(O)C(OC(=O)[R2])COC(=O)[R1]</string> </molecule> </cml>
<cml> <molecule id="SULFOQUINOVOSYLDIACYLGLYCEROL" title="sulfoquinovosyldiacylglycerol" dictRef="dictSULFOQUINOVOSYLDIACYLGLYCEROL"> <atomArray> <atom id="SULFOQUINOVOSYLDIACYLGLYCEROL-atom1" elementType="C" x2="0.79220784" y2="0.52380955"/> <atom id="SULFOQUINOVOSYLDIACYLGLYCEROL-atom2" elementType="C" x2="-0.2251082" y2="-0.7662338"/> <atom id="SULFOQUINOVOSYLDIACYLGLYCEROL-atom3" elementType="O" x2="-0.83116883" y2="-0.45887446"/> <atom id="SULFOQUINOVOSYLDIACYLGLYCEROL-atom4" elementType="O" x2="-0.2251082" y2="-0.2987013"/> <atom id="SULFOQUINOVOSYLDIACYLGLYCEROL-atom5" elementType="O" x2="0.79220784" y2="0.75757575"/> <atom id="SULFOQUINOVOSYLDIACYLGLYCEROL-atom6" elementType="R" x2="0.99567103" y2="0.4069264" formalCharge="1"/> <atom id="SULFOQUINOVOSYLDIACYLGLYCEROL-atom7" elementType="C" x2="-0.4285714" y2="-0.64935064"/> <atom id="SULFOQUINOVOSYLDIACYLGLYCEROL-atom8" elementType="O" x2="-0.83116883" y2="-0.13852817"/> <atom id="SULFOQUINOVOSYLDIACYLGLYCEROL-atom9" elementType="C" x2="0.18614721" y2="0.4069264"/> <atom id="SULFOQUINOVOSYLDIACYLGLYCEROL-atom10" elementType="C" x2="-0.4285714" y2="-0.41558444"/> <atom id="SULFOQUINOVOSYLDIACYLGLYCEROL-atom11" elementType="O" x2="-1.0" y2="-0.2987013"/> <atom id="SULFOQUINOVOSYLDIACYLGLYCEROL-atom12" elementType="C" x2="-0.017316043" y2="-0.41558444"/> <atom id="SULFOQUINOVOSYLDIACYLGLYCEROL-atom13" elementType="R" x2="0.3896104" y2="0.52380955" formalCharge="2"/> <atom id="SULFOQUINOVOSYLDIACYLGLYCEROL-atom14" elementType="S" x2="-0.83116883" y2="-0.2987013"/> <atom id="SULFOQUINOVOSYLDIACYLGLYCEROL-atom15" elementType="C" x2="0.3896104" y2="0.05194807"/> <atom id="SULFOQUINOVOSYLDIACYLGLYCEROL-atom16" elementType="O" x2="0.18614721" y2="0.1731602"/> <atom id="SULFOQUINOVOSYLDIACYLGLYCEROL-atom17" elementType="C" x2="0.58874464" y2="0.1731602"/> <atom id="SULFOQUINOVOSYLDIACYLGLYCEROL-atom18" elementType="C" x2="0.3896104" y2="-0.18181819"/> <atom id="SULFOQUINOVOSYLDIACYLGLYCEROL-atom19" elementType="O" x2="0.58874464" y2="0.4069264"/> <atom id="SULFOQUINOVOSYLDIACYLGLYCEROL-atom20" elementType="O" x2="0.18614721" y2="-0.2987013"/> <atom id="SULFOQUINOVOSYLDIACYLGLYCEROL-atom21" elementType="O" x2="0.18614721" y2="-0.7662338"/> <atom id="SULFOQUINOVOSYLDIACYLGLYCEROL-atom22" elementType="O" x2="-0.2251082" y2="-1.0"/> <atom id="SULFOQUINOVOSYLDIACYLGLYCEROL-atom23" elementType="O" x2="-0.62770563" y2="-0.7662338"/> <atom id="SULFOQUINOVOSYLDIACYLGLYCEROL-atom24" elementType="C" x2="-0.62770563" y2="-0.2987013"/> <atom id="SULFOQUINOVOSYLDIACYLGLYCEROL-atom25" elementType="C" x2="-0.017316043" y2="-0.64935064"/> <atom id="SULFOQUINOVOSYLDIACYLGLYCEROL-atom26" elementType="O" x2="-0.017316043" y2="0.52380955"/> </atomArray> <bondArray> <bond id="SULFOQUINOVOSYLDIACYLGLYCEROL-bond1" atomRefs="SULFOQUINOVOSYLDIACYLGLYCEROL-atom25 SULFOQUINOVOSYLDIACYLGLYCEROL-atom2" order="1"/> <bond id="SULFOQUINOVOSYLDIACYLGLYCEROL-bond2" atomRefs="SULFOQUINOVOSYLDIACYLGLYCEROL-atom25 SULFOQUINOVOSYLDIACYLGLYCEROL-atom21" order="1"/> <bond id="SULFOQUINOVOSYLDIACYLGLYCEROL-bond3" atomRefs="SULFOQUINOVOSYLDIACYLGLYCEROL-atom24 SULFOQUINOVOSYLDIACYLGLYCEROL-atom14" order="1"/> <bond id="SULFOQUINOVOSYLDIACYLGLYCEROL-bond4" atomRefs="SULFOQUINOVOSYLDIACYLGLYCEROL-atom19 SULFOQUINOVOSYLDIACYLGLYCEROL-atom1" order="1"/> <bond id="SULFOQUINOVOSYLDIACYLGLYCEROL-bond5" atomRefs="SULFOQUINOVOSYLDIACYLGLYCEROL-atom18 SULFOQUINOVOSYLDIACYLGLYCEROL-atom20" order="1"/> <bond id="SULFOQUINOVOSYLDIACYLGLYCEROL-bond6" atomRefs="SULFOQUINOVOSYLDIACYLGLYCEROL-atom17 SULFOQUINOVOSYLDIACYLGLYCEROL-atom19" order="1"/> <bond id="SULFOQUINOVOSYLDIACYLGLYCEROL-bond7" atomRefs="SULFOQUINOVOSYLDIACYLGLYCEROL-atom16 SULFOQUINOVOSYLDIACYLGLYCEROL-atom9" order="1"/> <bond id="SULFOQUINOVOSYLDIACYLGLYCEROL-bond8" atomRefs="SULFOQUINOVOSYLDIACYLGLYCEROL-atom15 SULFOQUINOVOSYLDIACYLGLYCEROL-atom16" order="1"/> <bond id="SULFOQUINOVOSYLDIACYLGLYCEROL-bond9" atomRefs="SULFOQUINOVOSYLDIACYLGLYCEROL-atom15 SULFOQUINOVOSYLDIACYLGLYCEROL-atom17" order="1"/> <bond id="SULFOQUINOVOSYLDIACYLGLYCEROL-bond10" atomRefs="SULFOQUINOVOSYLDIACYLGLYCEROL-atom15 SULFOQUINOVOSYLDIACYLGLYCEROL-atom18" order="1"/> <bond id="SULFOQUINOVOSYLDIACYLGLYCEROL-bond11" atomRefs="SULFOQUINOVOSYLDIACYLGLYCEROL-atom14 SULFOQUINOVOSYLDIACYLGLYCEROL-atom8" order="2"/> <bond id="SULFOQUINOVOSYLDIACYLGLYCEROL-bond12" atomRefs="SULFOQUINOVOSYLDIACYLGLYCEROL-atom14 SULFOQUINOVOSYLDIACYLGLYCEROL-atom3" order="2"/> <bond id="SULFOQUINOVOSYLDIACYLGLYCEROL-bond13" atomRefs="SULFOQUINOVOSYLDIACYLGLYCEROL-atom14 SULFOQUINOVOSYLDIACYLGLYCEROL-atom11" order="1"/> <bond id="SULFOQUINOVOSYLDIACYLGLYCEROL-bond14" atomRefs="SULFOQUINOVOSYLDIACYLGLYCEROL-atom12 SULFOQUINOVOSYLDIACYLGLYCEROL-atom25" order="1"/> <bond id="SULFOQUINOVOSYLDIACYLGLYCEROL-bond15" atomRefs="SULFOQUINOVOSYLDIACYLGLYCEROL-atom12 SULFOQUINOVOSYLDIACYLGLYCEROL-atom20" order="1"/> <bond id="SULFOQUINOVOSYLDIACYLGLYCEROL-bond16" atomRefs="SULFOQUINOVOSYLDIACYLGLYCEROL-atom10 SULFOQUINOVOSYLDIACYLGLYCEROL-atom4" order="1"/> <bond id="SULFOQUINOVOSYLDIACYLGLYCEROL-bond17" atomRefs="SULFOQUINOVOSYLDIACYLGLYCEROL-atom10 SULFOQUINOVOSYLDIACYLGLYCEROL-atom24" order="1"/> <bond id="SULFOQUINOVOSYLDIACYLGLYCEROL-bond18" atomRefs="SULFOQUINOVOSYLDIACYLGLYCEROL-atom9 SULFOQUINOVOSYLDIACYLGLYCEROL-atom13" order="1"/> <bond id="SULFOQUINOVOSYLDIACYLGLYCEROL-bond19" atomRefs="SULFOQUINOVOSYLDIACYLGLYCEROL-atom9 SULFOQUINOVOSYLDIACYLGLYCEROL-atom26" order="2"/> <bond id="SULFOQUINOVOSYLDIACYLGLYCEROL-bond20" atomRefs="SULFOQUINOVOSYLDIACYLGLYCEROL-atom7 SULFOQUINOVOSYLDIACYLGLYCEROL-atom10" order="1"/> <bond id="SULFOQUINOVOSYLDIACYLGLYCEROL-bond21" atomRefs="SULFOQUINOVOSYLDIACYLGLYCEROL-atom7 SULFOQUINOVOSYLDIACYLGLYCEROL-atom23" order="1"/> <bond id="SULFOQUINOVOSYLDIACYLGLYCEROL-bond22" atomRefs="SULFOQUINOVOSYLDIACYLGLYCEROL-atom4 SULFOQUINOVOSYLDIACYLGLYCEROL-atom12" order="1"/> <bond id="SULFOQUINOVOSYLDIACYLGLYCEROL-bond23" atomRefs="SULFOQUINOVOSYLDIACYLGLYCEROL-atom2 SULFOQUINOVOSYLDIACYLGLYCEROL-atom7" order="1"/> <bond id="SULFOQUINOVOSYLDIACYLGLYCEROL-bond24" atomRefs="SULFOQUINOVOSYLDIACYLGLYCEROL-atom2 SULFOQUINOVOSYLDIACYLGLYCEROL-atom22" order="1"/> <bond id="SULFOQUINOVOSYLDIACYLGLYCEROL-bond25" atomRefs="SULFOQUINOVOSYLDIACYLGLYCEROL-atom1 SULFOQUINOVOSYLDIACYLGLYCEROL-atom6" order="1"/> <bond id="SULFOQUINOVOSYLDIACYLGLYCEROL-bond26" atomRefs="SULFOQUINOVOSYLDIACYLGLYCEROL-atom1 SULFOQUINOVOSYLDIACYLGLYCEROL-atom5" order="2"/> </bondArray> <formula concise="C 11 H 16 O 12 R 2 S 1" formalCharge="0"/> </molecule> </cml>
UDP-sulfoquinovose:DAG sulfoquinovosyltransferase
NAD(P)H is a class of compounds including the instances NADH and NADPH.
<atom id="threo-d(s)-iso-citrate-atom1" elementType="O" x2="-0.60531" y2="-1.0"/> <atom id="threo-d(s)-iso-citrate-atom2" elementType="O" x2="-0.63516" y2="0.99668"/> <atom id="threo-d(s)-iso-citrate-atom3" elementType="O" x2="-0.04478" y2="0.66501"/> <atom id="threo-d(s)-iso-citrate-atom4" elementType="C" x2="-0.42952" y2="0.00498"/> <atom id="threo-d(s)-iso-citrate-atom5" elementType="C" x2="-0.43284" y2="0.66501"/> <atom id="threo-d(s)-iso-citrate-atom6" elementType="C" x2="-0.41625" y2="-0.65837"/> <atom id="threo-d(s)-iso-citrate-atom7" elementType="C" x2="-0.05804" y2="0.00498"/> <atom id="threo-d(s)-iso-citrate-atom8" elementType="O" x2="0.25041" y2="-0.23383"/> <atom id="threo-d(s)-iso-citrate-atom9" elementType="O" x2="0.2272" y2="0.267"/> <atom id="threo-d(s)-iso-citrate-atom10" elementType="C" x2="-0.61194" y2="-0.33002"/> <atom id="threo-d(s)-iso-citrate-atom11" elementType="O" x2="-1.0" y2="-0.33002"/> <atom id="threo-d(s)-iso-citrate-atom12" elementType="O" x2="-0.02819" y2="-0.65837"/> <atom id="threo-d(s)-iso-citrate-atom13" elementType="C" x2="-0.62521" y2="0.3267"/> <bond id="threo-d(s)-iso-citrate-bond1" atomRefs="threo-d(s)-iso-citrate-atom13 threo-d(s)-iso-citrate-atom4" order="1"/> <bond id="threo-d(s)-iso-citrate-bond2" atomRefs="threo-d(s)-iso-citrate-atom12 threo-d(s)-iso-citrate-atom6" order="1"/> <bond id="threo-d(s)-iso-citrate-bond3" atomRefs="threo-d(s)-iso-citrate-atom11 threo-d(s)-iso-citrate-atom10" order="1"/> <bond id="threo-d(s)-iso-citrate-bond4" atomRefs="threo-d(s)-iso-citrate-atom10 threo-d(s)-iso-citrate-atom4" order="1"/> <bond id="threo-d(s)-iso-citrate-bond5" atomRefs="threo-d(s)-iso-citrate-atom9 threo-d(s)-iso-citrate-atom7" order="2"/> <bond id="threo-d(s)-iso-citrate-bond6" atomRefs="threo-d(s)-iso-citrate-atom8 threo-d(s)-iso-citrate-atom7" order="1"/> <bond id="threo-d(s)-iso-citrate-bond7" atomRefs="threo-d(s)-iso-citrate-atom7 threo-d(s)-iso-citrate-atom4" order="1"/> <bond id="threo-d(s)-iso-citrate-bond8" atomRefs="threo-d(s)-iso-citrate-atom6 threo-d(s)-iso-citrate-atom10" order="1"/> <bond id="threo-d(s)-iso-citrate-bond9" atomRefs="threo-d(s)-iso-citrate-atom5 threo-d(s)-iso-citrate-atom13" order="1"/> <bond id="threo-d(s)-iso-citrate-bond10" atomRefs="threo-d(s)-iso-citrate-atom3 threo-d(s)-iso-citrate-atom5" order="1"/> <bond id="threo-d(s)-iso-citrate-bond11" atomRefs="threo-d(s)-iso-citrate-atom2 threo-d(s)-iso-citrate-atom5" order="2"/> <bond id="threo-d(s)-iso-citrate-bond12" atomRefs="threo-d(s)-iso-citrate-atom1 threo-d(s)-iso-citrate-atom6" order="2"/> <formula concise="C 6 H 8 O 7" formalCharge="0"/> 192.125 C(=O)(O)CC(C(=O)O)C(O)C(O)=O pentaric acid, 3-carboxy-2,3-dideoxy-
NAD(P)+ is a class of compounds including the instances NAD+ and NADP+.
<atom id="CAPSAICIN-atom1" elementType="C" x2="31563.0" y2="33438.0"/> <atom id="CAPSAICIN-atom2" elementType="C" x2="24418.0" y2="37563.0"/> <atom id="CAPSAICIN-atom3" elementType="C" x2="38707.0" y2="37563.0"/> <atom id="CAPSAICIN-atom4" elementType="C" x2="31563.0" y2="25188.0"/> <atom id="CAPSAICIN-atom5" elementType="H" x2="36007.0" y2="22256.0"/> <atom id="CAPSAICIN-atom6" elementType="C" x2="24418.0" y2="12813.0"/> <atom id="CAPSAICIN-atom7" elementType="C" x2="17273.0" y2="8688.0"/> <atom id="CAPSAICIN-atom8" elementType="C" x2="17273.0" y2="438.0"/> <atom id="CAPSAICIN-atom9" elementType="C" x2="10128.0" y2="-3687.0"/> <atom id="CAPSAICIN-atom10" elementType="C" x2="10128.0" y2="-11937.0"/> <atom id="CAPSAICIN-atom11" elementType="C" x2="2984.0" y2="-24312.0"/> <atom id="CAPSAICIN-atom12" elementType="C" x2="-4161.0" y2="-28437.0"/> <atom id="CAPSAICIN-atom13" elementType="C" x2="-18451.0" y2="-28438.0"/> <atom id="CAPSAICIN-atom14" elementType="C" x2="-11306.0" y2="-24313.0"/> <atom id="CAPSAICIN-atom15" elementType="C" x2="-4161.0" y2="-36687.0"/> <atom id="CAPSAICIN-atom16" elementType="C" x2="-11306.0" y2="-40813.0"/> <atom id="CAPSAICIN-atom17" elementType="C" x2="-18451.0" y2="-36688.0"/> <atom id="CAPSAICIN-atom18" elementType="C" x2="-4161.0" y2="-53188.0"/> <atom id="CAPSAICIN-atom19" elementType="O" x2="-11306.0" y2="-49063.0"/> <atom id="CAPSAICIN-atom20" elementType="O" x2="-25595.0" y2="-40813.0"/> <atom id="CAPSAICIN-atom21" elementType="H" x2="-31178.0" y2="-37313.0"/> <atom id="CAPSAICIN-atom22" elementType="O" x2="17273.0" y2="-16062.0"/> <atom id="CAPSAICIN-atom23" elementType="N" x2="2984.0" y2="-16062.0"/> <atom id="CAPSAICIN-atom24" elementType="H" x2="-2393.0" y2="-12226.0"/> <atom id="CAPSAICIN-atom25" elementType="C" x2="24418.0" y2="21063.0"/> <atom id="CAPSAICIN-atom26" elementType="H" x2="19148.0" y2="23313.0"/> <bond id="CAPSAICIN-bond1" atomRefs="CAPSAICIN-atom25 CAPSAICIN-atom26" order="1"/> <bond id="CAPSAICIN-bond2" atomRefs="CAPSAICIN-atom23 CAPSAICIN-atom24" order="1"/> <bond id="CAPSAICIN-bond3" atomRefs="CAPSAICIN-atom20 CAPSAICIN-atom21" order="1"/> <bond id="CAPSAICIN-bond4" atomRefs="CAPSAICIN-atom19 CAPSAICIN-atom18" order="1"/> <bond id="CAPSAICIN-bond5" atomRefs="CAPSAICIN-atom17 CAPSAICIN-atom20" order="1"/> <bond id="CAPSAICIN-bond6" atomRefs="CAPSAICIN-atom16 CAPSAICIN-atom19" order="1"/> <bond id="CAPSAICIN-bond7" atomRefs="CAPSAICIN-atom15 CAPSAICIN-atom16" order="A"/> <bond id="CAPSAICIN-bond8" atomRefs="CAPSAICIN-atom13 CAPSAICIN-atom14" order="A"/> <bond id="CAPSAICIN-bond9" atomRefs="CAPSAICIN-atom16 CAPSAICIN-atom17" order="A"/> <bond id="CAPSAICIN-bond10" atomRefs="CAPSAICIN-atom17 CAPSAICIN-atom13" order="A"/> <bond id="CAPSAICIN-bond11" atomRefs="CAPSAICIN-atom12 CAPSAICIN-atom15" order="A"/> <bond id="CAPSAICIN-bond12" atomRefs="CAPSAICIN-atom14 CAPSAICIN-atom12" order="A"/> <bond id="CAPSAICIN-bond13" atomRefs="CAPSAICIN-atom11 CAPSAICIN-atom12" order="1"/> <bond id="CAPSAICIN-bond14" atomRefs="CAPSAICIN-atom23 CAPSAICIN-atom11" order="1"/> <bond id="CAPSAICIN-bond15" atomRefs="CAPSAICIN-atom10 CAPSAICIN-atom22" order="2"/> <bond id="CAPSAICIN-bond16" atomRefs="CAPSAICIN-atom10 CAPSAICIN-atom23" order="1"/> <bond id="CAPSAICIN-bond17" atomRefs="CAPSAICIN-atom9 CAPSAICIN-atom10" order="1"/> <bond id="CAPSAICIN-bond18" atomRefs="CAPSAICIN-atom8 CAPSAICIN-atom9" order="1"/> <bond id="CAPSAICIN-bond19" atomRefs="CAPSAICIN-atom7 CAPSAICIN-atom8" order="1"/> <bond id="CAPSAICIN-bond20" atomRefs="CAPSAICIN-atom6 CAPSAICIN-atom7" order="1"/> <bond id="CAPSAICIN-bond21" atomRefs="CAPSAICIN-atom25 CAPSAICIN-atom6" order="1"/> <bond id="CAPSAICIN-bond22" atomRefs="CAPSAICIN-atom4 CAPSAICIN-atom25" order="2"/> <bond id="CAPSAICIN-bond23" atomRefs="CAPSAICIN-atom4 CAPSAICIN-atom5" order="1"/> <bond id="CAPSAICIN-bond24" atomRefs="CAPSAICIN-atom1 CAPSAICIN-atom3" order="1"/> <bond id="CAPSAICIN-bond25" atomRefs="CAPSAICIN-atom1 CAPSAICIN-atom2" order="1"/> <bond id="CAPSAICIN-bond26" atomRefs="CAPSAICIN-atom1 CAPSAICIN-atom4" order="1"/> <formula concise="C 18 H 27 N 1 O 3" formalCharge="0"/> 305.416 CC(C)[CH]=[CH]CCCCC(=O)[NH]Cc1(cc(OC)c([OH])cc1)
A cDNA clone was isolated from C. frutescens, the cDNA was recombinantly expressed in E.coli and shown to catalyze the conversion of vanillylamine and 8-methylnoneoate into the capsaicin.
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atomRefs="CARBOXYMETHYL-HYDROXYPHENYLPROPCOA-atom3 CARBOXYMETHYL-HYDROXYPHENYLPROPCOA-atom30" order="1"/> <bond id="CARBOXYMETHYL-HYDROXYPHENYLPROPCOA-bond64" atomRefs="CARBOXYMETHYL-HYDROXYPHENYLPROPCOA-atom3 CARBOXYMETHYL-HYDROXYPHENYLPROPCOA-atom40" order="1"/> <bond id="CARBOXYMETHYL-HYDROXYPHENYLPROPCOA-bond65" atomRefs="CARBOXYMETHYL-HYDROXYPHENYLPROPCOA-atom1 CARBOXYMETHYL-HYDROXYPHENYLPROPCOA-atom58" order="1"/> <bond id="CARBOXYMETHYL-HYDROXYPHENYLPROPCOA-bond66" atomRefs="CARBOXYMETHYL-HYDROXYPHENYLPROPCOA-atom1 CARBOXYMETHYL-HYDROXYPHENYLPROPCOA-atom11" order="1"/> <formula concise="C 32 H 46 N 7 O 20 P 3 S 1" formalCharge="0"/> 973.732 C(NCCSC(=O)C(CC(=O)O)C(O)c1(ccccc1))(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(O)(=O)OCC2(OC(C(O)C2OP(=O)(O)O)n3(c4(c(nc3)c(N)ncn4)))
<atom id="TETRACHLOROHYDROQUINONE-atom1" elementType="CL" x2="3.7321" y2="2.0"/> <atom id="TETRACHLOROHYDROQUINONE-atom2" elementType="C" x2="3.7321" y2="1.0"/> <atom id="TETRACHLOROHYDROQUINONE-atom3" elementType="C" x2="2.866" y2="0.5"/> <atom id="TETRACHLOROHYDROQUINONE-atom4" elementType="C" x2="4.5981" y2="0.5"/> <atom id="TETRACHLOROHYDROQUINONE-atom5" elementType="CL" x2="2.0" y2="1.0"/> <atom id="TETRACHLOROHYDROQUINONE-atom6" elementType="C" x2="2.866" y2="-0.5"/> <atom id="TETRACHLOROHYDROQUINONE-atom7" elementType="O" x2="5.4641" y2="1.0"/> <atom id="TETRACHLOROHYDROQUINONE-atom8" elementType="C" x2="4.5981" y2="-0.5"/> <atom id="TETRACHLOROHYDROQUINONE-atom9" elementType="O" x2="2.0" y2="-1.0"/> <atom id="TETRACHLOROHYDROQUINONE-atom10" elementType="C" x2="3.7321" y2="-1.0"/> <atom id="TETRACHLOROHYDROQUINONE-atom11" elementType="CL" x2="5.4641" y2="-1.0"/> <atom id="TETRACHLOROHYDROQUINONE-atom12" elementType="CL" x2="3.732" y2="-2.0"/> <bond id="TETRACHLOROHYDROQUINONE-bond1" atomRefs="TETRACHLOROHYDROQUINONE-atom1 TETRACHLOROHYDROQUINONE-atom2" order="1"/> <bond id="TETRACHLOROHYDROQUINONE-bond2" atomRefs="TETRACHLOROHYDROQUINONE-atom2 TETRACHLOROHYDROQUINONE-atom3" order="2"/> <bond id="TETRACHLOROHYDROQUINONE-bond3" atomRefs="TETRACHLOROHYDROQUINONE-atom2 TETRACHLOROHYDROQUINONE-atom4" order="1"/> <bond id="TETRACHLOROHYDROQUINONE-bond4" atomRefs="TETRACHLOROHYDROQUINONE-atom3 TETRACHLOROHYDROQUINONE-atom5" order="1"/> <bond id="TETRACHLOROHYDROQUINONE-bond5" atomRefs="TETRACHLOROHYDROQUINONE-atom3 TETRACHLOROHYDROQUINONE-atom6" order="1"/> <bond id="TETRACHLOROHYDROQUINONE-bond6" atomRefs="TETRACHLOROHYDROQUINONE-atom4 TETRACHLOROHYDROQUINONE-atom7" order="1"/> <bond id="TETRACHLOROHYDROQUINONE-bond7" atomRefs="TETRACHLOROHYDROQUINONE-atom4 TETRACHLOROHYDROQUINONE-atom8" order="2"/> <bond id="TETRACHLOROHYDROQUINONE-bond8" atomRefs="TETRACHLOROHYDROQUINONE-atom6 TETRACHLOROHYDROQUINONE-atom9" order="1"/> <bond id="TETRACHLOROHYDROQUINONE-bond9" atomRefs="TETRACHLOROHYDROQUINONE-atom6 TETRACHLOROHYDROQUINONE-atom10" order="2"/> <bond id="TETRACHLOROHYDROQUINONE-bond10" atomRefs="TETRACHLOROHYDROQUINONE-atom8 TETRACHLOROHYDROQUINONE-atom11" order="1"/> <bond id="TETRACHLOROHYDROQUINONE-bond11" atomRefs="TETRACHLOROHYDROQUINONE-atom10 TETRACHLOROHYDROQUINONE-atom12" order="1"/> <bond id="TETRACHLOROHYDROQUINONE-bond12" atomRefs="TETRACHLOROHYDROQUINONE-atom8 TETRACHLOROHYDROQUINONE-atom10" order="1"/> <formula concise="C 6 H 2 O 2 CL 4" formalCharge="0"/> 247.893 C1(=C(Cl)C(O)=C(Cl)C(Cl)=C(O)1)(Cl)
<atom id="GLUTATHIONE-atom1" elementType="N" x2="-0.99333334" y2="-0.63666666"/> <atom id="GLUTATHIONE-atom2" elementType="N" x2="0.60333335" y2="-0.64"/> <atom id="GLUTATHIONE-atom3" elementType="N" x2="0.013333321" y2="-0.5333333"/> <atom id="GLUTATHIONE-atom4" elementType="C" x2="-0.80333334" y2="-0.29666662"/> <atom id="GLUTATHIONE-atom5" elementType="C" x2="0.8000001" y2="-0.29666662"/> <atom id="GLUTATHIONE-atom6" elementType="O" x2="-1.0" y2="-0.20666665"/> <atom id="GLUTATHIONE-atom7" elementType="C" x2="0.8000001" y2="-0.5333333"/> <atom id="GLUTATHIONE-atom8" elementType="O" x2="0.4100001" y2="-0.31333333"/> <atom id="GLUTATHIONE-atom9" elementType="C" x2="-0.39666665" y2="-0.5333333"/> <atom id="GLUTATHIONE-atom10" elementType="C" x2="0.20333338" y2="-0.86"/> <atom id="GLUTATHIONE-atom11" elementType="C" x2="-0.6066667" y2="-0.64"/> <atom id="GLUTATHIONE-atom12" elementType="C" x2="-0.19666666" y2="-0.64"/> <atom id="GLUTATHIONE-atom13" elementType="C" x2="0.20333338" y2="-0.64"/> <atom id="GLUTATHIONE-atom14" elementType="S" x2="0.0333333" y2="-1.0"/> <atom id="GLUTATHIONE-atom15" elementType="C" x2="0.4100001" y2="-0.5333333"/> <atom id="GLUTATHIONE-atom16" elementType="O" x2="0.6" y2="-0.20666665"/> <atom id="GLUTATHIONE-atom17" elementType="O" x2="-0.60333335" y2="-0.20666665"/> <atom id="GLUTATHIONE-atom18" elementType="O" x2="0.99666667" y2="-0.20333332"/> <atom id="GLUTATHIONE-atom19" elementType="C" x2="-0.80333334" y2="-0.5333333"/> <atom id="GLUTATHIONE-atom20" elementType="O" x2="-0.19666666" y2="-0.8566667"/> <bond id="GLUTATHIONE-bond1" atomRefs="GLUTATHIONE-atom20 GLUTATHIONE-atom12" order="2"/> <bond id="GLUTATHIONE-bond2" atomRefs="GLUTATHIONE-atom19 GLUTATHIONE-atom11" order="1"/> <bond id="GLUTATHIONE-bond3" atomRefs="GLUTATHIONE-atom18 GLUTATHIONE-atom5" order="1"/> <bond id="GLUTATHIONE-bond4" atomRefs="GLUTATHIONE-atom17 GLUTATHIONE-atom4" order="1"/> <bond id="GLUTATHIONE-bond5" atomRefs="GLUTATHIONE-atom16 GLUTATHIONE-atom5" order="2"/> <bond id="GLUTATHIONE-bond6" atomRefs="GLUTATHIONE-atom15 GLUTATHIONE-atom13" order="1"/> <bond id="GLUTATHIONE-bond7" atomRefs="GLUTATHIONE-atom14 GLUTATHIONE-atom10" order="1"/> <bond id="GLUTATHIONE-bond8" atomRefs="GLUTATHIONE-atom12 GLUTATHIONE-atom3" order="1"/> <bond id="GLUTATHIONE-bond9" atomRefs="GLUTATHIONE-atom11 GLUTATHIONE-atom9" order="1"/> <bond id="GLUTATHIONE-bond10" atomRefs="GLUTATHIONE-atom10 GLUTATHIONE-atom13" order="1"/> <bond id="GLUTATHIONE-bond11" atomRefs="GLUTATHIONE-atom9 GLUTATHIONE-atom12" order="1"/> <bond id="GLUTATHIONE-bond12" atomRefs="GLUTATHIONE-atom8 GLUTATHIONE-atom15" order="2"/> <bond id="GLUTATHIONE-bond13" atomRefs="GLUTATHIONE-atom7 GLUTATHIONE-atom2" order="1"/> <bond id="GLUTATHIONE-bond14" atomRefs="GLUTATHIONE-atom6 GLUTATHIONE-atom4" order="2"/> <bond id="GLUTATHIONE-bond15" atomRefs="GLUTATHIONE-atom5 GLUTATHIONE-atom7" order="1"/> <bond id="GLUTATHIONE-bond16" atomRefs="GLUTATHIONE-atom4 GLUTATHIONE-atom19" order="1"/> <bond id="GLUTATHIONE-bond17" atomRefs="GLUTATHIONE-atom3 GLUTATHIONE-atom13" order="1"/> <bond id="GLUTATHIONE-bond18" atomRefs="GLUTATHIONE-atom2 GLUTATHIONE-atom15" order="1"/> <bond id="GLUTATHIONE-bond19" atomRefs="GLUTATHIONE-atom1 GLUTATHIONE-atom19" order="1"/> <formula concise="C 10 H 17 N 3 O 6 S 1" formalCharge="0"/> 307.321 C(=O)(O)C(N)CCC(=O)NC(CS)C(=O)NCC(O)=O glycine, N-(N-L-gamma-glutamyl-L-cysteinyl)-
<atom id="236-TRICHLOROHYDROQUINONE-atom1" elementType="C" x2="-0.1380145" y2="-0.50121063"/> <atom id="236-TRICHLOROHYDROQUINONE-atom2" elementType="CL" x2="-0.1380145" y2="-1.0"/> <atom id="236-TRICHLOROHYDROQUINONE-atom3" elementType="CL" x2="-0.1380145" y2="0.9951575"/> <atom id="236-TRICHLOROHYDROQUINONE-atom4" elementType="C" x2="-0.1380145" y2="0.49636805"/> <atom id="236-TRICHLOROHYDROQUINONE-atom5" elementType="C" x2="-0.5690073" y2="0.24939477"/> <atom id="236-TRICHLOROHYDROQUINONE-atom6" elementType="C" x2="0.29782093" y2="0.24939477"/> <atom id="236-TRICHLOROHYDROQUINONE-atom7" elementType="C" x2="-0.5690073" y2="-0.25423723"/> <atom id="236-TRICHLOROHYDROQUINONE-atom8" elementType="O" x2="0.72881365" y2="0.49636805"/> <atom id="236-TRICHLOROHYDROQUINONE-atom9" elementType="C" x2="0.29782093" y2="-0.25423723"/> <atom id="236-TRICHLOROHYDROQUINONE-atom10" elementType="O" x2="-1.0" y2="-0.50121063"/> <atom id="236-TRICHLOROHYDROQUINONE-atom11" elementType="CL" x2="0.72881365" y2="-0.50121063"/> <bond id="236-TRICHLOROHYDROQUINONE-bond1" atomRefs="236-TRICHLOROHYDROQUINONE-atom9 236-TRICHLOROHYDROQUINONE-atom1" order="1"/> <bond id="236-TRICHLOROHYDROQUINONE-bond2" atomRefs="236-TRICHLOROHYDROQUINONE-atom9 236-TRICHLOROHYDROQUINONE-atom11" order="1"/> <bond id="236-TRICHLOROHYDROQUINONE-bond3" atomRefs="236-TRICHLOROHYDROQUINONE-atom7 236-TRICHLOROHYDROQUINONE-atom1" order="2"/> <bond id="236-TRICHLOROHYDROQUINONE-bond4" atomRefs="236-TRICHLOROHYDROQUINONE-atom7 236-TRICHLOROHYDROQUINONE-atom10" order="1"/> <bond id="236-TRICHLOROHYDROQUINONE-bond5" atomRefs="236-TRICHLOROHYDROQUINONE-atom6 236-TRICHLOROHYDROQUINONE-atom9" order="2"/> <bond id="236-TRICHLOROHYDROQUINONE-bond6" atomRefs="236-TRICHLOROHYDROQUINONE-atom6 236-TRICHLOROHYDROQUINONE-atom8" order="1"/> <bond id="236-TRICHLOROHYDROQUINONE-bond7" atomRefs="236-TRICHLOROHYDROQUINONE-atom5 236-TRICHLOROHYDROQUINONE-atom7" order="1"/> <bond id="236-TRICHLOROHYDROQUINONE-bond8" atomRefs="236-TRICHLOROHYDROQUINONE-atom4 236-TRICHLOROHYDROQUINONE-atom6" order="1"/> <bond id="236-TRICHLOROHYDROQUINONE-bond9" atomRefs="236-TRICHLOROHYDROQUINONE-atom4 236-TRICHLOROHYDROQUINONE-atom5" order="2"/> <bond id="236-TRICHLOROHYDROQUINONE-bond10" atomRefs="236-TRICHLOROHYDROQUINONE-atom3 236-TRICHLOROHYDROQUINONE-atom4" order="1"/> <bond id="236-TRICHLOROHYDROQUINONE-bond11" atomRefs="236-TRICHLOROHYDROQUINONE-atom1 236-TRICHLOROHYDROQUINONE-atom2" order="1"/> <formula concise="C 6 H 3 O 2 CL 3" formalCharge="0"/> 213.447 C1(Cl)(C(Cl)=C(O)C(Cl)=CC=1O)
<atom id="HCL-atom1" elementType="CL" x2="3.1792" y2="-0.5292"/> <atom id="HCL-atom2" elementType="H" x2="4.1745" y2="0.0042"/> <bond id="HCL-bond1" atomRefs="HCL-atom1 HCL-atom2" order="1"/> <formula concise="H 1 CL 1" formalCharge="0"/> 36.461 [ClH]
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id="OXIDIZED-GLUTATHIONE-atom13" elementType="N" x2="0.60912" y2="0.36808"/> <atom id="OXIDIZED-GLUTATHIONE-atom14" elementType="C" x2="-0.42345" y2="0.50163"/> <atom id="OXIDIZED-GLUTATHIONE-atom15" elementType="O" x2="-0.61564" y2="0.84691"/> <atom id="OXIDIZED-GLUTATHIONE-atom16" elementType="N" x2="-0.01303" y2="-0.66124"/> <atom id="OXIDIZED-GLUTATHIONE-atom17" elementType="O" x2="-0.21498" y2="-1.0"/> <atom id="OXIDIZED-GLUTATHIONE-atom18" elementType="N" x2="-0.9772" y2="0.36482"/> <atom id="OXIDIZED-GLUTATHIONE-atom19" elementType="C" x2="-0.59935" y2="-0.78176"/> <atom id="OXIDIZED-GLUTATHIONE-atom20" elementType="C" x2="-0.42345" y2="-0.66124"/> <atom id="OXIDIZED-GLUTATHIONE-atom21" elementType="C" x2="-0.80456" y2="0.50163"/> <atom id="OXIDIZED-GLUTATHIONE-atom22" elementType="O" x2="0.59935" y2="0.84039"/> <atom id="OXIDIZED-GLUTATHIONE-atom23" elementType="C" x2="0.79479" y2="-0.66124"/> <atom id="OXIDIZED-GLUTATHIONE-atom24" elementType="O" x2="-0.61889" y2="-0.28664"/> <atom id="OXIDIZED-GLUTATHIONE-atom25" elementType="C" x2="0.19218" y2="-0.78176"/> <atom id="OXIDIZED-GLUTATHIONE-atom26" elementType="C" x2="0.19218" y2="0.36808"/> <atom id="OXIDIZED-GLUTATHIONE-atom27" elementType="O" x2="-0.99674" y2="-0.29642"/> <atom id="OXIDIZED-GLUTATHIONE-atom28" elementType="N" x2="-0.98697" y2="-0.78502"/> <atom id="OXIDIZED-GLUTATHIONE-atom29" elementType="O" x2="0.99349" y2="-0.30293"/> <atom id="OXIDIZED-GLUTATHIONE-atom30" elementType="C" x2="0.41368" y2="-0.66124"/> <atom id="OXIDIZED-GLUTATHIONE-atom31" elementType="C" x2="0.19218" y2="-0.56352"/> <atom id="OXIDIZED-GLUTATHIONE-atom32" elementType="C" x2="0.41368" y2="0.50163"/> <atom id="OXIDIZED-GLUTATHIONE-atom33" elementType="C" x2="-0.80456" y2="-0.66124"/> <atom id="OXIDIZED-GLUTATHIONE-atom34" elementType="S" x2="0.19218" y2="-0.32248"/> <atom id="OXIDIZED-GLUTATHIONE-atom35" elementType="O" x2="-1.0" y2="0.84039"/> <atom id="OXIDIZED-GLUTATHIONE-atom36" elementType="N" x2="-0.01303" y2="0.50163"/> <atom id="OXIDIZED-GLUTATHIONE-atom37" elementType="C" x2="-0.21498" y2="0.36808"/> <atom id="OXIDIZED-GLUTATHIONE-atom38" elementType="S" x2="0.19218" y2="-0.08143"/> <atom id="OXIDIZED-GLUTATHIONE-atom39" elementType="C" x2="-0.80456" y2="-0.39739"/> <atom id="OXIDIZED-GLUTATHIONE-atom40" elementType="O" x2="0.99674" y2="0.83062"/> <bond id="OXIDIZED-GLUTATHIONE-bond1" atomRefs="OXIDIZED-GLUTATHIONE-atom39 OXIDIZED-GLUTATHIONE-atom33" order="1"/> <bond id="OXIDIZED-GLUTATHIONE-bond2" atomRefs="OXIDIZED-GLUTATHIONE-atom39 OXIDIZED-GLUTATHIONE-atom24" order="1"/> <bond id="OXIDIZED-GLUTATHIONE-bond3" atomRefs="OXIDIZED-GLUTATHIONE-atom38 OXIDIZED-GLUTATHIONE-atom11" order="1"/> <bond id="OXIDIZED-GLUTATHIONE-bond4" atomRefs="OXIDIZED-GLUTATHIONE-atom37 OXIDIZED-GLUTATHIONE-atom36" order="1"/> <bond id="OXIDIZED-GLUTATHIONE-bond5" atomRefs="OXIDIZED-GLUTATHIONE-atom37 OXIDIZED-GLUTATHIONE-atom1" order="2"/> <bond id="OXIDIZED-GLUTATHIONE-bond6" atomRefs="OXIDIZED-GLUTATHIONE-atom36 OXIDIZED-GLUTATHIONE-atom26" order="1"/> <bond id="OXIDIZED-GLUTATHIONE-bond7" atomRefs="OXIDIZED-GLUTATHIONE-atom34 OXIDIZED-GLUTATHIONE-atom38" order="1"/> <bond id="OXIDIZED-GLUTATHIONE-bond8" atomRefs="OXIDIZED-GLUTATHIONE-atom33 OXIDIZED-GLUTATHIONE-atom19" order="1"/> <bond id="OXIDIZED-GLUTATHIONE-bond9" atomRefs="OXIDIZED-GLUTATHIONE-atom33 OXIDIZED-GLUTATHIONE-atom28" order="1"/> <bond id="OXIDIZED-GLUTATHIONE-bond10" atomRefs="OXIDIZED-GLUTATHIONE-atom32 OXIDIZED-GLUTATHIONE-atom13" order="1"/> <bond id="OXIDIZED-GLUTATHIONE-bond11" atomRefs="OXIDIZED-GLUTATHIONE-atom32 OXIDIZED-GLUTATHIONE-atom10" order="2"/> <bond id="OXIDIZED-GLUTATHIONE-bond12" atomRefs="OXIDIZED-GLUTATHIONE-atom31 OXIDIZED-GLUTATHIONE-atom34" order="1"/> <bond id="OXIDIZED-GLUTATHIONE-bond13" atomRefs="OXIDIZED-GLUTATHIONE-atom30 OXIDIZED-GLUTATHIONE-atom4" order="1"/> <bond id="OXIDIZED-GLUTATHIONE-bond14" atomRefs="OXIDIZED-GLUTATHIONE-atom30 OXIDIZED-GLUTATHIONE-atom9" order="2"/> <bond id="OXIDIZED-GLUTATHIONE-bond15" atomRefs="OXIDIZED-GLUTATHIONE-atom27 OXIDIZED-GLUTATHIONE-atom39" order="2"/> <bond id="OXIDIZED-GLUTATHIONE-bond16" atomRefs="OXIDIZED-GLUTATHIONE-atom26 OXIDIZED-GLUTATHIONE-atom32" order="1"/> <bond id="OXIDIZED-GLUTATHIONE-bond17" atomRefs="OXIDIZED-GLUTATHIONE-atom26 OXIDIZED-GLUTATHIONE-atom11" order="1"/> <bond id="OXIDIZED-GLUTATHIONE-bond18" atomRefs="OXIDIZED-GLUTATHIONE-atom25 OXIDIZED-GLUTATHIONE-atom30" order="1"/> <bond id="OXIDIZED-GLUTATHIONE-bond19" atomRefs="OXIDIZED-GLUTATHIONE-atom25 OXIDIZED-GLUTATHIONE-atom31" order="1"/> <bond id="OXIDIZED-GLUTATHIONE-bond20" atomRefs="OXIDIZED-GLUTATHIONE-atom23 OXIDIZED-GLUTATHIONE-atom7" order="1"/> <bond id="OXIDIZED-GLUTATHIONE-bond21" atomRefs="OXIDIZED-GLUTATHIONE-atom21 OXIDIZED-GLUTATHIONE-atom6" order="1"/> <bond id="OXIDIZED-GLUTATHIONE-bond22" atomRefs="OXIDIZED-GLUTATHIONE-atom21 OXIDIZED-GLUTATHIONE-atom18" order="1"/> <bond id="OXIDIZED-GLUTATHIONE-bond23" atomRefs="OXIDIZED-GLUTATHIONE-atom20 OXIDIZED-GLUTATHIONE-atom2" order="1"/> <bond id="OXIDIZED-GLUTATHIONE-bond24" atomRefs="OXIDIZED-GLUTATHIONE-atom19 OXIDIZED-GLUTATHIONE-atom20" order="1"/> <bond id="OXIDIZED-GLUTATHIONE-bond25" atomRefs="OXIDIZED-GLUTATHIONE-atom16 OXIDIZED-GLUTATHIONE-atom25" order="1"/> <bond id="OXIDIZED-GLUTATHIONE-bond26" atomRefs="OXIDIZED-GLUTATHIONE-atom14 OXIDIZED-GLUTATHIONE-atom37" order="1"/> <bond id="OXIDIZED-GLUTATHIONE-bond27" atomRefs="OXIDIZED-GLUTATHIONE-atom13 OXIDIZED-GLUTATHIONE-atom8" order="1"/> <bond id="OXIDIZED-GLUTATHIONE-bond28" atomRefs="OXIDIZED-GLUTATHIONE-atom12 OXIDIZED-GLUTATHIONE-atom21" order="1"/> <bond id="OXIDIZED-GLUTATHIONE-bond29" atomRefs="OXIDIZED-GLUTATHIONE-atom12 OXIDIZED-GLUTATHIONE-atom35" order="2"/> <bond id="OXIDIZED-GLUTATHIONE-bond30" atomRefs="OXIDIZED-GLUTATHIONE-atom12 OXIDIZED-GLUTATHIONE-atom15" order="1"/> <bond id="OXIDIZED-GLUTATHIONE-bond31" atomRefs="OXIDIZED-GLUTATHIONE-atom8 OXIDIZED-GLUTATHIONE-atom5" order="1"/> <bond id="OXIDIZED-GLUTATHIONE-bond32" atomRefs="OXIDIZED-GLUTATHIONE-atom7 OXIDIZED-GLUTATHIONE-atom29" order="1"/> <bond id="OXIDIZED-GLUTATHIONE-bond33" atomRefs="OXIDIZED-GLUTATHIONE-atom7 OXIDIZED-GLUTATHIONE-atom3" order="2"/> <bond id="OXIDIZED-GLUTATHIONE-bond34" atomRefs="OXIDIZED-GLUTATHIONE-atom6 OXIDIZED-GLUTATHIONE-atom14" order="1"/> <bond id="OXIDIZED-GLUTATHIONE-bond35" atomRefs="OXIDIZED-GLUTATHIONE-atom5 OXIDIZED-GLUTATHIONE-atom40" order="1"/> <bond id="OXIDIZED-GLUTATHIONE-bond36" atomRefs="OXIDIZED-GLUTATHIONE-atom5 OXIDIZED-GLUTATHIONE-atom22" order="2"/> <bond id="OXIDIZED-GLUTATHIONE-bond37" atomRefs="OXIDIZED-GLUTATHIONE-atom4 OXIDIZED-GLUTATHIONE-atom23" order="1"/> <bond id="OXIDIZED-GLUTATHIONE-bond38" atomRefs="OXIDIZED-GLUTATHIONE-atom2 OXIDIZED-GLUTATHIONE-atom16" order="1"/> <bond id="OXIDIZED-GLUTATHIONE-bond39" atomRefs="OXIDIZED-GLUTATHIONE-atom2 OXIDIZED-GLUTATHIONE-atom17" order="2"/> <formula concise="C 20 H 32 N 6 O 12 S 2" formalCharge="0"/> 612.626 C(=O)(CCC(N)C(O)=O)NC(C(=O)NCC(O)=O)CSSCC(C(=O)NCC(O)=O)NC(=O)CCC(N)C(=O)O
TETRACHLORO-P-HYDROQUINONE REDUCTIVE DEHALOGENASE
<atom id="26-DICHLORO-P-HYDROQUINONE-atom1" elementType="O" x2="-1.0" y2="-1.0"/> <atom id="26-DICHLORO-P-HYDROQUINONE-atom2" elementType="C" x2="-0.0028011203" y2="-1.0"/> <atom id="26-DICHLORO-P-HYDROQUINONE-atom3" elementType="CL" x2="-0.0028011203" y2="0.7254902"/> <atom id="26-DICHLORO-P-HYDROQUINONE-atom4" elementType="C" x2="-0.0028011203" y2="0.14845943"/> <atom id="26-DICHLORO-P-HYDROQUINONE-atom5" elementType="C" x2="-0.5014006" y2="-0.1372549"/> <atom id="26-DICHLORO-P-HYDROQUINONE-atom6" elementType="C" x2="0.49579835" y2="-0.1372549"/> <atom id="26-DICHLORO-P-HYDROQUINONE-atom7" elementType="C" x2="-0.5014006" y2="-0.71428573"/> <atom id="26-DICHLORO-P-HYDROQUINONE-atom8" elementType="O" x2="0.99439776" y2="0.14845943"/> <atom id="26-DICHLORO-P-HYDROQUINONE-atom9" elementType="C" x2="0.49579835" y2="-0.71428573"/> <atom id="26-DICHLORO-P-HYDROQUINONE-atom10" elementType="CL" x2="0.99439776" y2="-1.0"/> <bond id="26-DICHLORO-P-HYDROQUINONE-bond1" atomRefs="26-DICHLORO-P-HYDROQUINONE-atom9 26-DICHLORO-P-HYDROQUINONE-atom10" order="1"/> <bond id="26-DICHLORO-P-HYDROQUINONE-bond2" atomRefs="26-DICHLORO-P-HYDROQUINONE-atom9 26-DICHLORO-P-HYDROQUINONE-atom2" order="1"/> <bond id="26-DICHLORO-P-HYDROQUINONE-bond3" atomRefs="26-DICHLORO-P-HYDROQUINONE-atom7 26-DICHLORO-P-HYDROQUINONE-atom1" order="1"/> <bond id="26-DICHLORO-P-HYDROQUINONE-bond4" atomRefs="26-DICHLORO-P-HYDROQUINONE-atom7 26-DICHLORO-P-HYDROQUINONE-atom2" order="2"/> <bond id="26-DICHLORO-P-HYDROQUINONE-bond5" atomRefs="26-DICHLORO-P-HYDROQUINONE-atom6 26-DICHLORO-P-HYDROQUINONE-atom8" order="1"/> <bond id="26-DICHLORO-P-HYDROQUINONE-bond6" atomRefs="26-DICHLORO-P-HYDROQUINONE-atom6 26-DICHLORO-P-HYDROQUINONE-atom9" order="2"/> <bond id="26-DICHLORO-P-HYDROQUINONE-bond7" atomRefs="26-DICHLORO-P-HYDROQUINONE-atom5 26-DICHLORO-P-HYDROQUINONE-atom7" order="1"/> <bond id="26-DICHLORO-P-HYDROQUINONE-bond8" atomRefs="26-DICHLORO-P-HYDROQUINONE-atom4 26-DICHLORO-P-HYDROQUINONE-atom5" order="2"/> <bond id="26-DICHLORO-P-HYDROQUINONE-bond9" atomRefs="26-DICHLORO-P-HYDROQUINONE-atom4 26-DICHLORO-P-HYDROQUINONE-atom6" order="1"/> <bond id="26-DICHLORO-P-HYDROQUINONE-bond10" atomRefs="26-DICHLORO-P-HYDROQUINONE-atom3 26-DICHLORO-P-HYDROQUINONE-atom4" order="1"/> <formula concise="C 6 H 4 O 2 CL 2" formalCharge="0"/> 179.002 C1(C(Cl)=C(O)C(Cl)=CC(O)=1)
<atom id="3-HYDROXY-ISOBUTYRATE-atom1" elementType="C" x2="0.48029" y2="0.03584"/> <atom id="3-HYDROXY-ISOBUTYRATE-atom2" elementType="O" x2="-1.0" y2="0.4086"/> <atom id="3-HYDROXY-ISOBUTYRATE-atom3" elementType="O" x2="0.99642" y2="0.36559"/> <atom id="3-HYDROXY-ISOBUTYRATE-atom4" elementType="C" x2="-0.07527" y2="0.3871"/> <atom id="3-HYDROXY-ISOBUTYRATE-atom5" elementType="C" x2="-0.07527" y2="1.0"/> <atom id="3-HYDROXY-ISOBUTYRATE-atom6" elementType="O" x2="0.48029" y2="-0.57706"/> <atom id="3-HYDROXY-ISOBUTYRATE-atom7" elementType="C" x2="-0.50538" y2="0.04301"/> <bond id="3-HYDROXY-ISOBUTYRATE-bond1" atomRefs="3-HYDROXY-ISOBUTYRATE-atom7 3-HYDROXY-ISOBUTYRATE-atom4" order="1"/> <bond id="3-HYDROXY-ISOBUTYRATE-bond2" atomRefs="3-HYDROXY-ISOBUTYRATE-atom6 3-HYDROXY-ISOBUTYRATE-atom1" order="2"/> <bond id="3-HYDROXY-ISOBUTYRATE-bond3" atomRefs="3-HYDROXY-ISOBUTYRATE-atom5 3-HYDROXY-ISOBUTYRATE-atom4" order="1"/> <bond id="3-HYDROXY-ISOBUTYRATE-bond4" atomRefs="3-HYDROXY-ISOBUTYRATE-atom4 3-HYDROXY-ISOBUTYRATE-atom1" order="1"/> <bond id="3-HYDROXY-ISOBUTYRATE-bond5" atomRefs="3-HYDROXY-ISOBUTYRATE-atom3 3-HYDROXY-ISOBUTYRATE-atom1" order="1"/> <bond id="3-HYDROXY-ISOBUTYRATE-bond6" atomRefs="3-HYDROXY-ISOBUTYRATE-atom2 3-HYDROXY-ISOBUTYRATE-atom7" order="1"/> <formula concise="C 4 H 8 O 3" formalCharge="0"/> 104.105 C(O)(=O)C(C)CO propanoic acid, 3-hydroxy-2-methyl-
<atom id="CH3-MALONATE-S-ALD-atom1" elementType="C" x2="0.37268" y2="-0.24789"/> <atom id="CH3-MALONATE-S-ALD-atom2" elementType="C" x2="-1.0" y2="-0.30523"/> <atom id="CH3-MALONATE-S-ALD-atom3" elementType="C" x2="-0.32209" y2="0.84486"/> <atom id="CH3-MALONATE-S-ALD-atom4" elementType="C" x2="-0.32209" y2="0.09275"/> <atom id="CH3-MALONATE-S-ALD-atom5" elementType="O" x2="-1.0" y2="0.44688"/> <atom id="CH3-MALONATE-S-ALD-atom6" elementType="O" x2="0.37268" y2="-1.0"/> <atom id="CH3-MALONATE-S-ALD-atom7" elementType="O" x2="0.99663" y2="0.17032"/> <bond id="CH3-MALONATE-S-ALD-bond1" atomRefs="CH3-MALONATE-S-ALD-atom7 CH3-MALONATE-S-ALD-atom1" order="1"/> <bond id="CH3-MALONATE-S-ALD-bond2" atomRefs="CH3-MALONATE-S-ALD-atom6 CH3-MALONATE-S-ALD-atom1" order="2"/> <bond id="CH3-MALONATE-S-ALD-bond3" atomRefs="CH3-MALONATE-S-ALD-atom4 CH3-MALONATE-S-ALD-atom1" order="1"/> <bond id="CH3-MALONATE-S-ALD-bond4" atomRefs="CH3-MALONATE-S-ALD-atom3 CH3-MALONATE-S-ALD-atom4" order="1"/> <bond id="CH3-MALONATE-S-ALD-bond5" atomRefs="CH3-MALONATE-S-ALD-atom2 CH3-MALONATE-S-ALD-atom5" order="2"/> <bond id="CH3-MALONATE-S-ALD-bond6" atomRefs="CH3-MALONATE-S-ALD-atom2 CH3-MALONATE-S-ALD-atom4" order="1"/> <formula concise="C 4 H 6 O 3" formalCharge="0"/> 102.09 C(=O)(O)C(C)C=O
<atom id="2K-4CH3-PENTANOATE-atom1" elementType="C" x2="-0.59511" y2="-1.0"/> <atom id="2K-4CH3-PENTANOATE-atom2" elementType="C" x2="-1.0" y2="-0.35428"/> <atom id="2K-4CH3-PENTANOATE-atom3" elementType="C" x2="0.58464" y2="-0.32984"/> <atom id="2K-4CH3-PENTANOATE-atom4" elementType="O" x2="0.99651" y2="-0.51483"/> <atom id="2K-4CH3-PENTANOATE-atom5" elementType="C" x2="-0.26003" y2="-0.32984"/> <atom id="2K-4CH3-PENTANOATE-atom6" elementType="C" x2="0.17976" y2="-0.53578"/> <atom id="2K-4CH3-PENTANOATE-atom7" elementType="C" x2="-0.59511" y2="-0.54974"/> <atom id="2K-4CH3-PENTANOATE-atom8" elementType="O" x2="0.58464" y2="0.12042"/> <atom id="2K-4CH3-PENTANOATE-atom9" elementType="O" x2="0.17976" y2="-0.98604"/> <bond id="2K-4CH3-PENTANOATE-bond1" atomRefs="2K-4CH3-PENTANOATE-atom9 2K-4CH3-PENTANOATE-atom6" order="2"/> <bond id="2K-4CH3-PENTANOATE-bond2" atomRefs="2K-4CH3-PENTANOATE-atom8 2K-4CH3-PENTANOATE-atom3" order="2"/> <bond id="2K-4CH3-PENTANOATE-bond3" atomRefs="2K-4CH3-PENTANOATE-atom7 2K-4CH3-PENTANOATE-atom5" order="1"/> <bond id="2K-4CH3-PENTANOATE-bond4" atomRefs="2K-4CH3-PENTANOATE-atom6 2K-4CH3-PENTANOATE-atom3" order="1"/> <bond id="2K-4CH3-PENTANOATE-bond5" atomRefs="2K-4CH3-PENTANOATE-atom5 2K-4CH3-PENTANOATE-atom6" order="1"/> <bond id="2K-4CH3-PENTANOATE-bond6" atomRefs="2K-4CH3-PENTANOATE-atom4 2K-4CH3-PENTANOATE-atom3" order="1"/> <bond id="2K-4CH3-PENTANOATE-bond7" atomRefs="2K-4CH3-PENTANOATE-atom2 2K-4CH3-PENTANOATE-atom7" order="1"/> <bond id="2K-4CH3-PENTANOATE-bond8" atomRefs="2K-4CH3-PENTANOATE-atom1 2K-4CH3-PENTANOATE-atom7" order="1"/> <formula concise="C 6 H 10 O 3" formalCharge="0"/> 130.143 CC(C)CC(=O)C(=O)O 4-methyl-2-oxopentanoic acid
Phosphogluconate dehydrogenase (decarboxylating)
<atom id="RIBULOSE-5P-atom1" elementType="O" x2="-0.54967" y2="-0.57947"/> <atom id="RIBULOSE-5P-atom2" elementType="O" x2="0.39073" y2="0.54967"/> <atom id="RIBULOSE-5P-atom3" elementType="C" x2="-1.0" y2="-0.99669"/> <atom id="RIBULOSE-5P-atom4" elementType="P" x2="-0.0596" y2="0.54967"/> <atom id="RIBULOSE-5P-atom5" elementType="C" x2="-1.0" y2="0.54967"/> <atom id="RIBULOSE-5P-atom6" elementType="C" x2="-1.0" y2="0.17881"/> <atom id="RIBULOSE-5P-atom7" elementType="C" x2="-1.0" y2="-0.2053"/> <atom id="RIBULOSE-5P-atom8" elementType="O" x2="-0.0596" y2="1.0"/> <atom id="RIBULOSE-5P-atom9" elementType="O" x2="-0.54967" y2="-0.99669"/> <atom id="RIBULOSE-5P-atom10" elementType="O" x2="-0.0596" y2="0.09934"/> <atom id="RIBULOSE-5P-atom11" elementType="C" x2="-1.0" y2="-0.57947"/> <atom id="RIBULOSE-5P-atom12" elementType="O" x2="-0.54967" y2="0.17881"/> <atom id="RIBULOSE-5P-atom13" elementType="O" x2="-0.54967" y2="-0.2053"/> <atom id="RIBULOSE-5P-atom14" elementType="O" x2="-0.43709" y2="0.54967"/> <bond id="RIBULOSE-5P-bond1" atomRefs="RIBULOSE-5P-atom14 RIBULOSE-5P-atom4" order="1"/> <bond id="RIBULOSE-5P-bond2" atomRefs="RIBULOSE-5P-atom13 RIBULOSE-5P-atom7" order="1"/> <bond id="RIBULOSE-5P-bond3" atomRefs="RIBULOSE-5P-atom12 RIBULOSE-5P-atom6" order="1"/> <bond id="RIBULOSE-5P-bond4" atomRefs="RIBULOSE-5P-atom11 RIBULOSE-5P-atom7" order="1"/> <bond id="RIBULOSE-5P-bond5" atomRefs="RIBULOSE-5P-atom10 RIBULOSE-5P-atom4" order="2"/> <bond id="RIBULOSE-5P-bond6" atomRefs="RIBULOSE-5P-atom9 RIBULOSE-5P-atom3" order="1"/> <bond id="RIBULOSE-5P-bond7" atomRefs="RIBULOSE-5P-atom8 RIBULOSE-5P-atom4" order="1"/> <bond id="RIBULOSE-5P-bond8" atomRefs="RIBULOSE-5P-atom7 RIBULOSE-5P-atom6" order="1"/> <bond id="RIBULOSE-5P-bond9" atomRefs="RIBULOSE-5P-atom6 RIBULOSE-5P-atom5" order="1"/> <bond id="RIBULOSE-5P-bond10" atomRefs="RIBULOSE-5P-atom5 RIBULOSE-5P-atom14" order="1"/> <bond id="RIBULOSE-5P-bond11" atomRefs="RIBULOSE-5P-atom3 RIBULOSE-5P-atom11" order="1"/> <bond id="RIBULOSE-5P-bond12" atomRefs="RIBULOSE-5P-atom2 RIBULOSE-5P-atom4" order="1"/> <bond id="RIBULOSE-5P-bond13" atomRefs="RIBULOSE-5P-atom1 RIBULOSE-5P-atom11" order="2"/> <formula concise="C 5 H 11 O 8 P 1" formalCharge="0"/> 230.111 C(O)C(=O)C(O)C(O)COP(O)(=O)O
<atom id="2-ACETO-LACTATE-atom1" elementType="C" x2="0.0" y2="-1.3338"/> <atom id="2-ACETO-LACTATE-atom2" elementType="C" x2="1.9549" y2="0.0"/> <atom id="2-ACETO-LACTATE-atom3" elementType="O" x2="1.2036" y2="-3.3957"/> <atom id="2-ACETO-LACTATE-atom4" elementType="O" x2="3.826" y2="-3.2753"/> <atom id="2-ACETO-LACTATE-atom5" elementType="O" x2="5.145" y2="-1.9933"/> <atom id="2-ACETO-LACTATE-atom6" elementType="O" x2="3.6363" y2="-0.5191"/> <atom id="2-ACETO-LACTATE-atom7" elementType="C" x2="1.2036" y2="-2.0154"/> <atom id="2-ACETO-LACTATE-atom8" elementType="C" x2="3.7498" y2="-1.8774"/> <atom id="2-ACETO-LACTATE-atom9" elementType="C" x2="2.4743" y2="-1.3001"/> <bond id="2-ACETO-LACTATE-bond1" atomRefs="2-ACETO-LACTATE-atom8 2-ACETO-LACTATE-atom9" order="1"/> <bond id="2-ACETO-LACTATE-bond2" atomRefs="2-ACETO-LACTATE-atom7 2-ACETO-LACTATE-atom9" order="1"/> <bond id="2-ACETO-LACTATE-bond3" atomRefs="2-ACETO-LACTATE-atom9 2-ACETO-LACTATE-atom6" order="1"/> <bond id="2-ACETO-LACTATE-bond4" atomRefs="2-ACETO-LACTATE-atom5 2-ACETO-LACTATE-atom8" order="1"/> <bond id="2-ACETO-LACTATE-bond5" atomRefs="2-ACETO-LACTATE-atom4 2-ACETO-LACTATE-atom8" order="2"/> <bond id="2-ACETO-LACTATE-bond6" atomRefs="2-ACETO-LACTATE-atom3 2-ACETO-LACTATE-atom7" order="2"/> <bond id="2-ACETO-LACTATE-bond7" atomRefs="2-ACETO-LACTATE-atom9 2-ACETO-LACTATE-atom2" order="1"/> <bond id="2-ACETO-LACTATE-bond8" atomRefs="2-ACETO-LACTATE-atom1 2-ACETO-LACTATE-atom7" order="1"/> <formula concise="C 5 H 8 O 4" formalCharge="0"/> 132.116 CC(=O)C(C)(O)C(O)=O
<atom id="DIOH-ISOVALERATE-atom1" elementType="C" x2="-0.0017" y2="-0.1545"/> <atom id="DIOH-ISOVALERATE-atom2" elementType="O" x2="0.51104" y2="-1.0"/> <atom id="DIOH-ISOVALERATE-atom3" elementType="C" x2="-0.51443" y2="-0.44312"/> <atom id="DIOH-ISOVALERATE-atom4" elementType="C" x2="-1.0" y2="-0.16808"/> <atom id="DIOH-ISOVALERATE-atom5" elementType="C" x2="0.51104" y2="-0.44312"/> <atom id="DIOH-ISOVALERATE-atom6" elementType="O" x2="-0.51443" y2="-1.0"/> <atom id="DIOH-ISOVALERATE-atom7" elementType="O" x2="0.9966" y2="-0.17148"/> <atom id="DIOH-ISOVALERATE-atom8" elementType="O" x2="-0.0017" y2="-0.71138"/> <atom id="DIOH-ISOVALERATE-atom9" elementType="C" x2="-0.51443" y2="0.11375"/> <bond id="DIOH-ISOVALERATE-bond1" atomRefs="DIOH-ISOVALERATE-atom8 DIOH-ISOVALERATE-atom1" order="1"/> <bond id="DIOH-ISOVALERATE-bond2" atomRefs="DIOH-ISOVALERATE-atom7 DIOH-ISOVALERATE-atom5" order="1"/> <bond id="DIOH-ISOVALERATE-bond3" atomRefs="DIOH-ISOVALERATE-atom6 DIOH-ISOVALERATE-atom3" order="1"/> <bond id="DIOH-ISOVALERATE-bond4" atomRefs="DIOH-ISOVALERATE-atom5 DIOH-ISOVALERATE-atom1" order="1"/> <bond id="DIOH-ISOVALERATE-bond5" atomRefs="DIOH-ISOVALERATE-atom4 DIOH-ISOVALERATE-atom3" order="1"/> <bond id="DIOH-ISOVALERATE-bond6" atomRefs="DIOH-ISOVALERATE-atom3 DIOH-ISOVALERATE-atom9" order="1"/> <bond id="DIOH-ISOVALERATE-bond7" atomRefs="DIOH-ISOVALERATE-atom3 DIOH-ISOVALERATE-atom1" order="1"/> <bond id="DIOH-ISOVALERATE-bond8" atomRefs="DIOH-ISOVALERATE-atom2 DIOH-ISOVALERATE-atom5" order="2"/> <formula concise="C 5 H 10 O 4" formalCharge="0"/> 134.132 CC(C)(O)C(O)C(O)=O
α-keto-β-hydroxylacil reductoisomerase
Dihydroxyisovalerate dehydrogenase (isomerizing)
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<atom id="CINNAMALDEHYDE-atom1" elementType="C" x2="-0.81818" y2="-0.34545"/> <atom id="CINNAMALDEHYDE-atom2" elementType="H" x2="0.99669" y2="-1.0"/> <atom id="CINNAMALDEHYDE-atom3" elementType="C" x2="-0.28926" y2="-0.64959"/> <atom id="CINNAMALDEHYDE-atom4" elementType="C" x2="-0.46446" y2="-0.34545"/> <atom id="CINNAMALDEHYDE-atom5" elementType="C" x2="-0.00826" y2="-0.8314"/> <atom id="CINNAMALDEHYDE-atom6" elementType="O" x2="0.97025" y2="-0.6595"/> <atom id="CINNAMALDEHYDE-atom7" elementType="C" x2="0.30909" y2="-0.63967"/> <atom id="CINNAMALDEHYDE-atom8" elementType="C" x2="0.66281" y2="-0.85455"/> <atom id="CINNAMALDEHYDE-atom9" elementType="C" x2="-0.81818" y2="-0.95702"/> <atom id="CINNAMALDEHYDE-atom10" elementType="C" x2="-0.46777" y2="-0.95702"/> <atom id="CINNAMALDEHYDE-atom11" elementType="C" x2="-1.0" y2="-0.64959"/> <bond id="CINNAMALDEHYDE-bond1" atomRefs="CINNAMALDEHYDE-atom11 CINNAMALDEHYDE-atom9" order="A"/> <bond id="CINNAMALDEHYDE-bond2" atomRefs="CINNAMALDEHYDE-atom1 CINNAMALDEHYDE-atom11" order="A"/> <bond id="CINNAMALDEHYDE-bond3" atomRefs="CINNAMALDEHYDE-atom10 CINNAMALDEHYDE-atom3" order="A"/> <bond id="CINNAMALDEHYDE-bond4" atomRefs="CINNAMALDEHYDE-atom9 CINNAMALDEHYDE-atom10" order="A"/> <bond id="CINNAMALDEHYDE-bond5" atomRefs="CINNAMALDEHYDE-atom8 CINNAMALDEHYDE-atom2" order="1"/> <bond id="CINNAMALDEHYDE-bond6" atomRefs="CINNAMALDEHYDE-atom7 CINNAMALDEHYDE-atom8" order="1"/> <bond id="CINNAMALDEHYDE-bond7" atomRefs="CINNAMALDEHYDE-atom6 CINNAMALDEHYDE-atom8" order="2"/> <bond id="CINNAMALDEHYDE-bond8" atomRefs="CINNAMALDEHYDE-atom5 CINNAMALDEHYDE-atom7" order="2"/> <bond id="CINNAMALDEHYDE-bond9" atomRefs="CINNAMALDEHYDE-atom3 CINNAMALDEHYDE-atom4" order="A"/> <bond id="CINNAMALDEHYDE-bond10" atomRefs="CINNAMALDEHYDE-atom3 CINNAMALDEHYDE-atom5" order="1"/> <bond id="CINNAMALDEHYDE-bond11" atomRefs="CINNAMALDEHYDE-atom4 CINNAMALDEHYDE-atom1" order="A"/> <formula concise="C 9 H 8 O 1" formalCharge="0"/> 132.162 [CH](=O)C=Cc1(ccccc1)
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<atom id="DIHYDROKAEMPFEROL-CMPD-atom1" elementType="C" x2="0.55407643" y2="-1.0"/> <atom id="DIHYDROKAEMPFEROL-CMPD-atom2" elementType="C" x2="0.7770382" y2="-0.8702163"/> <atom id="DIHYDROKAEMPFEROL-CMPD-atom3" elementType="O" x2="-1.0" y2="-0.6139767"/> <atom id="DIHYDROKAEMPFEROL-CMPD-atom4" elementType="C" x2="-0.11148089" y2="-0.10149753"/> <atom id="DIHYDROKAEMPFEROL-CMPD-atom5" elementType="C" x2="0.55407643" y2="-0.4908486"/> <atom id="DIHYDROKAEMPFEROL-CMPD-atom6" elementType="C" x2="-0.33444262" y2="-0.23128122"/> <atom id="DIHYDROKAEMPFEROL-CMPD-atom7" elementType="O" x2="-0.55740434" y2="0.15141428"/> <atom id="DIHYDROKAEMPFEROL-CMPD-atom8" elementType="O" x2="-0.11148089" y2="-0.6173045"/> <atom id="DIHYDROKAEMPFEROL-CMPD-atom9" elementType="C" x2="0.33444262" y2="-0.8702163"/> <atom id="DIHYDROKAEMPFEROL-CMPD-atom10" elementType="C" x2="-0.33444262" y2="-0.4875208"/> <atom id="DIHYDROKAEMPFEROL-CMPD-atom11" elementType="C" x2="-0.55740434" y2="-0.6173045"/> <atom id="DIHYDROKAEMPFEROL-CMPD-atom12" elementType="O" x2="0.33444262" y2="-0.10149753"/> <atom id="DIHYDROKAEMPFEROL-CMPD-atom13" elementType="C" x2="0.33444262" y2="-0.6173045"/> <atom id="DIHYDROKAEMPFEROL-CMPD-atom14" elementType="C" x2="-0.78036606" y2="-0.23128122"/> <atom id="DIHYDROKAEMPFEROL-CMPD-atom15" elementType="C" x2="0.11480856" y2="-0.4908486"/> <atom id="DIHYDROKAEMPFEROL-CMPD-atom16" elementType="C" x2="0.7770382" y2="-0.6173045"/> <atom id="DIHYDROKAEMPFEROL-CMPD-atom17" elementType="O" x2="-0.11148089" y2="0.154742"/> <atom id="DIHYDROKAEMPFEROL-CMPD-atom18" elementType="C" x2="-0.55740434" y2="-0.10482532"/> <atom id="DIHYDROKAEMPFEROL-CMPD-atom19" elementType="C" x2="0.11148083" y2="-0.22795343"/> <atom id="DIHYDROKAEMPFEROL-CMPD-atom20" elementType="C" x2="-0.78036606" y2="-0.4875208"/> <atom id="DIHYDROKAEMPFEROL-CMPD-atom21" elementType="O" x2="0.99667215" y2="-0.9966722"/> <bond id="DIHYDROKAEMPFEROL-CMPD-bond1" atomRefs="DIHYDROKAEMPFEROL-CMPD-atom21 DIHYDROKAEMPFEROL-CMPD-atom2" order="1"/> <bond id="DIHYDROKAEMPFEROL-CMPD-bond2" atomRefs="DIHYDROKAEMPFEROL-CMPD-atom20 DIHYDROKAEMPFEROL-CMPD-atom14" order="A"/> <bond id="DIHYDROKAEMPFEROL-CMPD-bond3" atomRefs="DIHYDROKAEMPFEROL-CMPD-atom19 DIHYDROKAEMPFEROL-CMPD-atom12" order="1"/> <bond id="DIHYDROKAEMPFEROL-CMPD-bond4" atomRefs="DIHYDROKAEMPFEROL-CMPD-atom19 DIHYDROKAEMPFEROL-CMPD-atom15" order="1"/> <bond id="DIHYDROKAEMPFEROL-CMPD-bond5" atomRefs="DIHYDROKAEMPFEROL-CMPD-atom18 DIHYDROKAEMPFEROL-CMPD-atom6" order="A"/> <bond id="DIHYDROKAEMPFEROL-CMPD-bond6" atomRefs="DIHYDROKAEMPFEROL-CMPD-atom17 DIHYDROKAEMPFEROL-CMPD-atom4" order="2"/> <bond id="DIHYDROKAEMPFEROL-CMPD-bond7" atomRefs="DIHYDROKAEMPFEROL-CMPD-atom16 DIHYDROKAEMPFEROL-CMPD-atom5" order="A"/> <bond id="DIHYDROKAEMPFEROL-CMPD-bond8" atomRefs="DIHYDROKAEMPFEROL-CMPD-atom15 DIHYDROKAEMPFEROL-CMPD-atom13" order="1"/> <bond id="DIHYDROKAEMPFEROL-CMPD-bond9" atomRefs="DIHYDROKAEMPFEROL-CMPD-atom14 DIHYDROKAEMPFEROL-CMPD-atom18" order="A"/> <bond id="DIHYDROKAEMPFEROL-CMPD-bond10" atomRefs="DIHYDROKAEMPFEROL-CMPD-atom13 DIHYDROKAEMPFEROL-CMPD-atom9" order="A"/> <bond id="DIHYDROKAEMPFEROL-CMPD-bond11" atomRefs="DIHYDROKAEMPFEROL-CMPD-atom11 DIHYDROKAEMPFEROL-CMPD-atom20" order="A"/> <bond id="DIHYDROKAEMPFEROL-CMPD-bond12" atomRefs="DIHYDROKAEMPFEROL-CMPD-atom10 DIHYDROKAEMPFEROL-CMPD-atom11" order="A"/> <bond id="DIHYDROKAEMPFEROL-CMPD-bond13" atomRefs="DIHYDROKAEMPFEROL-CMPD-atom9 DIHYDROKAEMPFEROL-CMPD-atom1" order="A"/> <bond id="DIHYDROKAEMPFEROL-CMPD-bond14" atomRefs="DIHYDROKAEMPFEROL-CMPD-atom8 DIHYDROKAEMPFEROL-CMPD-atom10" order="1"/> <bond id="DIHYDROKAEMPFEROL-CMPD-bond15" atomRefs="DIHYDROKAEMPFEROL-CMPD-atom8 DIHYDROKAEMPFEROL-CMPD-atom15" order="1"/> <bond id="DIHYDROKAEMPFEROL-CMPD-bond16" atomRefs="DIHYDROKAEMPFEROL-CMPD-atom7 DIHYDROKAEMPFEROL-CMPD-atom18" order="1"/> <bond id="DIHYDROKAEMPFEROL-CMPD-bond17" atomRefs="DIHYDROKAEMPFEROL-CMPD-atom6 DIHYDROKAEMPFEROL-CMPD-atom10" order="A"/> <bond id="DIHYDROKAEMPFEROL-CMPD-bond18" atomRefs="DIHYDROKAEMPFEROL-CMPD-atom5 DIHYDROKAEMPFEROL-CMPD-atom13" order="A"/> <bond id="DIHYDROKAEMPFEROL-CMPD-bond19" atomRefs="DIHYDROKAEMPFEROL-CMPD-atom4 DIHYDROKAEMPFEROL-CMPD-atom6" order="1"/> <bond id="DIHYDROKAEMPFEROL-CMPD-bond20" atomRefs="DIHYDROKAEMPFEROL-CMPD-atom4 DIHYDROKAEMPFEROL-CMPD-atom19" order="1"/> <bond id="DIHYDROKAEMPFEROL-CMPD-bond21" atomRefs="DIHYDROKAEMPFEROL-CMPD-atom3 DIHYDROKAEMPFEROL-CMPD-atom20" order="1"/> <bond id="DIHYDROKAEMPFEROL-CMPD-bond22" atomRefs="DIHYDROKAEMPFEROL-CMPD-atom2 DIHYDROKAEMPFEROL-CMPD-atom16" order="A"/> <bond id="DIHYDROKAEMPFEROL-CMPD-bond23" atomRefs="DIHYDROKAEMPFEROL-CMPD-atom1 DIHYDROKAEMPFEROL-CMPD-atom2" order="A"/> <formula concise="C 15 H 12 O 6" formalCharge="0"/> 288.256 c1(cc(ccc(O)1)C2(C(O)C(=O)c3(c(O)cc(O)cc(O2)3)))
<atom id="2-C-METHYL-D-ERYTHRITOL-4-PHOSPHATE-atom1" elementType="O" x2="0.67666674" y2="-0.120000005"/> <atom id="2-C-METHYL-D-ERYTHRITOL-4-PHOSPHATE-atom2" elementType="C" x2="0.03666675" y2="-0.73333335"/> <atom id="2-C-METHYL-D-ERYTHRITOL-4-PHOSPHATE-atom3" elementType="P" x2="0.67666674" y2="-0.45333332"/> <atom id="2-C-METHYL-D-ERYTHRITOL-4-PHOSPHATE-atom4" elementType="C" x2="-0.38666666" y2="-0.45333332"/> <atom id="2-C-METHYL-D-ERYTHRITOL-4-PHOSPHATE-atom5" elementType="C" x2="-0.7166667" y2="-0.73333335"/> <atom id="2-C-METHYL-D-ERYTHRITOL-4-PHOSPHATE-atom6" elementType="O" x2="0.67666674" y2="-0.73333335"/> <atom id="2-C-METHYL-D-ERYTHRITOL-4-PHOSPHATE-atom7" elementType="O" x2="0.99666667" y2="-0.45333332"/> <atom id="2-C-METHYL-D-ERYTHRITOL-4-PHOSPHATE-atom8" elementType="O" x2="-1.0" y2="-0.120000005"/> <atom id="2-C-METHYL-D-ERYTHRITOL-4-PHOSPHATE-atom9" elementType="O" x2="-0.38666666" y2="-0.120000005"/> <atom id="2-C-METHYL-D-ERYTHRITOL-4-PHOSPHATE-atom10" elementType="O" x2="-0.49333334" y2="-1.0"/> <atom id="2-C-METHYL-D-ERYTHRITOL-4-PHOSPHATE-atom11" elementType="C" x2="-0.9533333" y2="-1.0"/> <atom id="2-C-METHYL-D-ERYTHRITOL-4-PHOSPHATE-atom12" elementType="C" x2="-1.0" y2="-0.45333332"/> <atom id="2-C-METHYL-D-ERYTHRITOL-4-PHOSPHATE-atom13" elementType="O" x2="0.35333335" y2="-0.45333332"/> <bond id="2-C-METHYL-D-ERYTHRITOL-4-PHOSPHATE-bond1" atomRefs="2-C-METHYL-D-ERYTHRITOL-4-PHOSPHATE-atom13 2-C-METHYL-D-ERYTHRITOL-4-PHOSPHATE-atom3" order="1"/> <bond id="2-C-METHYL-D-ERYTHRITOL-4-PHOSPHATE-bond2" atomRefs="2-C-METHYL-D-ERYTHRITOL-4-PHOSPHATE-atom12 2-C-METHYL-D-ERYTHRITOL-4-PHOSPHATE-atom5" order="1"/> <bond id="2-C-METHYL-D-ERYTHRITOL-4-PHOSPHATE-bond3" atomRefs="2-C-METHYL-D-ERYTHRITOL-4-PHOSPHATE-atom8 2-C-METHYL-D-ERYTHRITOL-4-PHOSPHATE-atom12" order="1"/> <bond id="2-C-METHYL-D-ERYTHRITOL-4-PHOSPHATE-bond4" atomRefs="2-C-METHYL-D-ERYTHRITOL-4-PHOSPHATE-atom5 2-C-METHYL-D-ERYTHRITOL-4-PHOSPHATE-atom11" order="1"/> <bond id="2-C-METHYL-D-ERYTHRITOL-4-PHOSPHATE-bond5" atomRefs="2-C-METHYL-D-ERYTHRITOL-4-PHOSPHATE-atom5 2-C-METHYL-D-ERYTHRITOL-4-PHOSPHATE-atom10" order="1"/> <bond id="2-C-METHYL-D-ERYTHRITOL-4-PHOSPHATE-bond6" atomRefs="2-C-METHYL-D-ERYTHRITOL-4-PHOSPHATE-atom5 2-C-METHYL-D-ERYTHRITOL-4-PHOSPHATE-atom4" order="1"/> <bond id="2-C-METHYL-D-ERYTHRITOL-4-PHOSPHATE-bond7" atomRefs="2-C-METHYL-D-ERYTHRITOL-4-PHOSPHATE-atom4 2-C-METHYL-D-ERYTHRITOL-4-PHOSPHATE-atom2" order="1"/> <bond id="2-C-METHYL-D-ERYTHRITOL-4-PHOSPHATE-bond8" atomRefs="2-C-METHYL-D-ERYTHRITOL-4-PHOSPHATE-atom4 2-C-METHYL-D-ERYTHRITOL-4-PHOSPHATE-atom9" order="1"/> <bond id="2-C-METHYL-D-ERYTHRITOL-4-PHOSPHATE-bond9" atomRefs="2-C-METHYL-D-ERYTHRITOL-4-PHOSPHATE-atom3 2-C-METHYL-D-ERYTHRITOL-4-PHOSPHATE-atom6" order="2"/> <bond id="2-C-METHYL-D-ERYTHRITOL-4-PHOSPHATE-bond10" atomRefs="2-C-METHYL-D-ERYTHRITOL-4-PHOSPHATE-atom3 2-C-METHYL-D-ERYTHRITOL-4-PHOSPHATE-atom7" order="1"/> <bond id="2-C-METHYL-D-ERYTHRITOL-4-PHOSPHATE-bond11" atomRefs="2-C-METHYL-D-ERYTHRITOL-4-PHOSPHATE-atom3 2-C-METHYL-D-ERYTHRITOL-4-PHOSPHATE-atom1" order="1"/> <bond id="2-C-METHYL-D-ERYTHRITOL-4-PHOSPHATE-bond12" atomRefs="2-C-METHYL-D-ERYTHRITOL-4-PHOSPHATE-atom2 2-C-METHYL-D-ERYTHRITOL-4-PHOSPHATE-atom13" order="1"/> <formula concise="C 5 H 13 O 7 P 1" formalCharge="0"/> 216.127 C(OP(O)(=O)O)C(O)C(O)(C)CO
<atom id="DEOXYXYLULOSE-5P-atom1" elementType="C" x2="-0.45410627" y2="0.5603865"/> <atom id="DEOXYXYLULOSE-5P-atom2" elementType="O" x2="0.5072464" y2="1.0"/> <atom id="DEOXYXYLULOSE-5P-atom3" elementType="C" x2="-0.45410627" y2="-0.21739125"/> <atom id="DEOXYXYLULOSE-5P-atom4" elementType="C" x2="-0.45410627" y2="-0.60386467"/> <atom id="DEOXYXYLULOSE-5P-atom5" elementType="O" x2="0.5072464" y2="0.11594206"/> <atom id="DEOXYXYLULOSE-5P-atom6" elementType="O" x2="0.009661794" y2="0.17391306"/> <atom id="DEOXYXYLULOSE-5P-atom7" elementType="O" x2="0.0869565" y2="0.5603865"/> <atom id="DEOXYXYLULOSE-5P-atom8" elementType="O" x2="0.009661794" y2="-0.60386467"/> <atom id="DEOXYXYLULOSE-5P-atom9" elementType="O" x2="0.9516908" y2="0.5603865"/> <atom id="DEOXYXYLULOSE-5P-atom10" elementType="C" x2="-0.45410627" y2="-0.99516904"/> <atom id="DEOXYXYLULOSE-5P-atom11" elementType="P" x2="0.5072464" y2="0.5603865"/> <atom id="DEOXYXYLULOSE-5P-atom12" elementType="C" x2="-0.45410627" y2="0.17391306"/> <atom id="DEOXYXYLULOSE-5P-atom13" elementType="O" x2="-1.0" y2="-0.21739125"/> <bond id="DEOXYXYLULOSE-5P-bond1" atomRefs="DEOXYXYLULOSE-5P-atom13 DEOXYXYLULOSE-5P-atom3" order="1"/> <bond id="DEOXYXYLULOSE-5P-bond2" atomRefs="DEOXYXYLULOSE-5P-atom12 DEOXYXYLULOSE-5P-atom1" order="1"/> <bond id="DEOXYXYLULOSE-5P-bond3" atomRefs="DEOXYXYLULOSE-5P-atom10 DEOXYXYLULOSE-5P-atom4" order="1"/> <bond id="DEOXYXYLULOSE-5P-bond4" atomRefs="DEOXYXYLULOSE-5P-atom9 DEOXYXYLULOSE-5P-atom11" order="1"/> <bond id="DEOXYXYLULOSE-5P-bond5" atomRefs="DEOXYXYLULOSE-5P-atom8 DEOXYXYLULOSE-5P-atom4" order="2"/> <bond id="DEOXYXYLULOSE-5P-bond6" atomRefs="DEOXYXYLULOSE-5P-atom7 DEOXYXYLULOSE-5P-atom11" order="1"/> <bond id="DEOXYXYLULOSE-5P-bond7" atomRefs="DEOXYXYLULOSE-5P-atom6 DEOXYXYLULOSE-5P-atom12" order="1"/> <bond id="DEOXYXYLULOSE-5P-bond8" atomRefs="DEOXYXYLULOSE-5P-atom5 DEOXYXYLULOSE-5P-atom11" order="2"/> <bond id="DEOXYXYLULOSE-5P-bond9" atomRefs="DEOXYXYLULOSE-5P-atom4 DEOXYXYLULOSE-5P-atom3" order="1"/> <bond id="DEOXYXYLULOSE-5P-bond10" atomRefs="DEOXYXYLULOSE-5P-atom3 DEOXYXYLULOSE-5P-atom12" order="1"/> <bond id="DEOXYXYLULOSE-5P-bond11" atomRefs="DEOXYXYLULOSE-5P-atom2 DEOXYXYLULOSE-5P-atom11" order="1"/> <bond id="DEOXYXYLULOSE-5P-bond12" atomRefs="DEOXYXYLULOSE-5P-atom1 DEOXYXYLULOSE-5P-atom7" order="1"/> <formula concise="C 5 H 11 O 7 P 1" formalCharge="0"/> 214.111 C(OP(=O)(O)O)C(O)C(O)C(C)=O
1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE
<atom id="GLC-6-P-atom1" elementType="C" x2="2.7292" y2="3.2292"/> <atom id="GLC-6-P-atom2" elementType="C" x2="2.7292" y2="3.9875"/> <atom id="GLC-6-P-atom3" elementType="C" x2="3.3787" y2="4.3708"/> <atom id="GLC-6-P-atom4" elementType="C" x2="4.0365" y2="3.9875"/> <atom id="GLC-6-P-atom5" elementType="C" x2="4.0365" y2="3.2292"/> <atom id="GLC-6-P-atom6" elementType="O" x2="3.3787" y2="2.8542"/> <atom id="GLC-6-P-atom7" elementType="C" x2="2.0796" y2="2.8542"/> <atom id="GLC-6-P-atom8" elementType="O" x2="4.685" y2="2.8524"/> <atom id="GLC-6-P-atom9" elementType="O" x2="3.3766" y2="5.1208"/> <atom id="GLC-6-P-atom10" elementType="O" x2="2.0779" y2="4.3594"/> <atom id="GLC-6-P-atom11" elementType="O" x2="4.6868" y2="4.3612"/> <atom id="GLC-6-P-atom12" elementType="O" x2="1.4301" y2="3.2292"/> <atom id="GLC-6-P-atom13" elementType="P" x2="0.6792" y2="3.2292"/> <atom id="GLC-6-P-atom14" elementType="O" x2="-0.0708" y2="3.2292"/> <atom id="GLC-6-P-atom15" elementType="O" x2="0.6792" y2="2.4792"/> <atom id="GLC-6-P-atom16" elementType="O" x2="0.6782" y2="3.9792"/> <bond id="GLC-6-P-bond1" atomRefs="GLC-6-P-atom13 GLC-6-P-atom16" order="2"/> <bond id="GLC-6-P-bond2" atomRefs="GLC-6-P-atom13 GLC-6-P-atom15" order="1"/> <bond id="GLC-6-P-bond3" atomRefs="GLC-6-P-atom13 GLC-6-P-atom14" order="1"/> <bond id="GLC-6-P-bond4" atomRefs="GLC-6-P-atom12 GLC-6-P-atom13" order="1"/> <bond id="GLC-6-P-bond5" atomRefs="GLC-6-P-atom7 GLC-6-P-atom12" order="1"/> <bond id="GLC-6-P-bond6" atomRefs="GLC-6-P-atom4 GLC-6-P-atom11" order="1"/> <bond id="GLC-6-P-bond7" atomRefs="GLC-6-P-atom2 GLC-6-P-atom10" order="1"/> <bond id="GLC-6-P-bond8" atomRefs="GLC-6-P-atom3 GLC-6-P-atom9" order="1"/> <bond id="GLC-6-P-bond9" atomRefs="GLC-6-P-atom8 GLC-6-P-atom5" order="1"/> <bond id="GLC-6-P-bond10" atomRefs="GLC-6-P-atom1 GLC-6-P-atom7" order="1"/> <bond id="GLC-6-P-bond11" atomRefs="GLC-6-P-atom5 GLC-6-P-atom6" order="1"/> <bond id="GLC-6-P-bond12" atomRefs="GLC-6-P-atom4 GLC-6-P-atom5" order="1"/> <bond id="GLC-6-P-bond13" atomRefs="GLC-6-P-atom3 GLC-6-P-atom4" order="1"/> <bond id="GLC-6-P-bond14" atomRefs="GLC-6-P-atom2 GLC-6-P-atom3" order="1"/> <bond id="GLC-6-P-bond15" atomRefs="GLC-6-P-atom1 GLC-6-P-atom2" order="1"/> <bond id="GLC-6-P-bond16" atomRefs="GLC-6-P-atom1 GLC-6-P-atom6" order="1"/> <formula concise="C 6 H 13 O 9 P 1" formalCharge="0"/> 260.137 C1(OC(COP(O)(=O)O)C(O)C(O)C(O)1)(O)
<atom id="D-6-P-GLUCONO-DELTA-LACTONE-atom1" elementType="C" x2="-0.67974" y2="0.34641"/> <atom id="D-6-P-GLUCONO-DELTA-LACTONE-atom2" elementType="O" x2="-0.39869" y2="0.61111"/> <atom id="D-6-P-GLUCONO-DELTA-LACTONE-atom3" elementType="O" x2="0.39542" y2="0.61111"/> <atom id="D-6-P-GLUCONO-DELTA-LACTONE-atom4" elementType="C" x2="0.28105" y2="-0.35621"/> <atom id="D-6-P-GLUCONO-DELTA-LACTONE-atom5" elementType="P" x2="0.0098" y2="0.61111"/> <atom id="D-6-P-GLUCONO-DELTA-LACTONE-atom6" elementType="O" x2="-0.04902" y2="0.07843"/> <atom id="D-6-P-GLUCONO-DELTA-LACTONE-atom7" elementType="C" x2="-0.04902" y2="-0.76797"/> <atom id="D-6-P-GLUCONO-DELTA-LACTONE-atom8" elementType="O" x2="0.66667" y2="-0.35621"/> <atom id="D-6-P-GLUCONO-DELTA-LACTONE-atom9" elementType="O" x2="0.0098" y2="0.22549"/> <atom id="D-6-P-GLUCONO-DELTA-LACTONE-atom10" elementType="H" x2="-0.67974" y2="-0.15359"/> <atom id="D-6-P-GLUCONO-DELTA-LACTONE-atom11" elementType="C" x2="-1.0" y2="-0.35621"/> <atom id="D-6-P-GLUCONO-DELTA-LACTONE-atom12" elementType="H" x2="-1.0" y2="-0.12418"/> <atom id="D-6-P-GLUCONO-DELTA-LACTONE-atom13" elementType="C" x2="-0.67974" y2="-0.76797"/> <atom id="D-6-P-GLUCONO-DELTA-LACTONE-atom14" elementType="O" x2="-0.04902" y2="-1.0"/> <atom id="D-6-P-GLUCONO-DELTA-LACTONE-atom15" elementType="O" x2="0.0098" y2="0.99673"/> <atom id="D-6-P-GLUCONO-DELTA-LACTONE-atom16" elementType="C" x2="-0.67974" y2="0.07843"/> <atom id="D-6-P-GLUCONO-DELTA-LACTONE-atom17" elementType="O" x2="-1.0" y2="-0.58824"/> <atom id="D-6-P-GLUCONO-DELTA-LACTONE-atom18" elementType="H" x2="-0.04902" y2="-0.53595"/> <atom id="D-6-P-GLUCONO-DELTA-LACTONE-atom19" elementType="O" x2="-0.67974" y2="-0.53595"/> <atom id="D-6-P-GLUCONO-DELTA-LACTONE-atom20" elementType="H" x2="-0.67974" y2="-1.0"/> <bond id="D-6-P-GLUCONO-DELTA-LACTONE-bond1" atomRefs="D-6-P-GLUCONO-DELTA-LACTONE-atom20 D-6-P-GLUCONO-DELTA-LACTONE-atom13" order="1"/> <bond id="D-6-P-GLUCONO-DELTA-LACTONE-bond2" atomRefs="D-6-P-GLUCONO-DELTA-LACTONE-atom19 D-6-P-GLUCONO-DELTA-LACTONE-atom13" order="1"/> <bond id="D-6-P-GLUCONO-DELTA-LACTONE-bond3" atomRefs="D-6-P-GLUCONO-DELTA-LACTONE-atom18 D-6-P-GLUCONO-DELTA-LACTONE-atom7" order="1"/> <bond id="D-6-P-GLUCONO-DELTA-LACTONE-bond4" atomRefs="D-6-P-GLUCONO-DELTA-LACTONE-atom17 D-6-P-GLUCONO-DELTA-LACTONE-atom11" order="1"/> <bond id="D-6-P-GLUCONO-DELTA-LACTONE-bond5" atomRefs="D-6-P-GLUCONO-DELTA-LACTONE-atom16 D-6-P-GLUCONO-DELTA-LACTONE-atom6" order="1"/> <bond id="D-6-P-GLUCONO-DELTA-LACTONE-bond6" atomRefs="D-6-P-GLUCONO-DELTA-LACTONE-atom15 D-6-P-GLUCONO-DELTA-LACTONE-atom5" order="2"/> <bond id="D-6-P-GLUCONO-DELTA-LACTONE-bond7" atomRefs="D-6-P-GLUCONO-DELTA-LACTONE-atom14 D-6-P-GLUCONO-DELTA-LACTONE-atom7" order="1"/> <bond id="D-6-P-GLUCONO-DELTA-LACTONE-bond8" atomRefs="D-6-P-GLUCONO-DELTA-LACTONE-atom13 D-6-P-GLUCONO-DELTA-LACTONE-atom7" order="1"/> <bond id="D-6-P-GLUCONO-DELTA-LACTONE-bond9" atomRefs="D-6-P-GLUCONO-DELTA-LACTONE-atom12 D-6-P-GLUCONO-DELTA-LACTONE-atom11" order="1"/> <bond id="D-6-P-GLUCONO-DELTA-LACTONE-bond10" atomRefs="D-6-P-GLUCONO-DELTA-LACTONE-atom11 D-6-P-GLUCONO-DELTA-LACTONE-atom13" order="1"/> <bond id="D-6-P-GLUCONO-DELTA-LACTONE-bond11" atomRefs="D-6-P-GLUCONO-DELTA-LACTONE-atom11 D-6-P-GLUCONO-DELTA-LACTONE-atom16" order="1"/> <bond id="D-6-P-GLUCONO-DELTA-LACTONE-bond12" atomRefs="D-6-P-GLUCONO-DELTA-LACTONE-atom10 D-6-P-GLUCONO-DELTA-LACTONE-atom16" order="1"/> <bond id="D-6-P-GLUCONO-DELTA-LACTONE-bond13" atomRefs="D-6-P-GLUCONO-DELTA-LACTONE-atom9 D-6-P-GLUCONO-DELTA-LACTONE-atom5" order="1"/> <bond id="D-6-P-GLUCONO-DELTA-LACTONE-bond14" atomRefs="D-6-P-GLUCONO-DELTA-LACTONE-atom8 D-6-P-GLUCONO-DELTA-LACTONE-atom4" order="2"/> <bond id="D-6-P-GLUCONO-DELTA-LACTONE-bond15" atomRefs="D-6-P-GLUCONO-DELTA-LACTONE-atom6 D-6-P-GLUCONO-DELTA-LACTONE-atom4" order="1"/> <bond id="D-6-P-GLUCONO-DELTA-LACTONE-bond16" atomRefs="D-6-P-GLUCONO-DELTA-LACTONE-atom5 D-6-P-GLUCONO-DELTA-LACTONE-atom2" order="1"/> <bond id="D-6-P-GLUCONO-DELTA-LACTONE-bond17" atomRefs="D-6-P-GLUCONO-DELTA-LACTONE-atom4 D-6-P-GLUCONO-DELTA-LACTONE-atom7" order="1"/> <bond id="D-6-P-GLUCONO-DELTA-LACTONE-bond18" atomRefs="D-6-P-GLUCONO-DELTA-LACTONE-atom3 D-6-P-GLUCONO-DELTA-LACTONE-atom5" order="1"/> <bond id="D-6-P-GLUCONO-DELTA-LACTONE-bond19" atomRefs="D-6-P-GLUCONO-DELTA-LACTONE-atom2 D-6-P-GLUCONO-DELTA-LACTONE-atom1" order="1"/> <bond id="D-6-P-GLUCONO-DELTA-LACTONE-bond20" atomRefs="D-6-P-GLUCONO-DELTA-LACTONE-atom1 D-6-P-GLUCONO-DELTA-LACTONE-atom16" order="1"/> <formula concise="C 6 H 11 O 9 P 1" formalCharge="0"/> 258.121 C(OP(O)(=O)O)[CH]1([CH](O)[CH](O)[CH](O)C(=O)O1)
<atom id="GLYCERATE-atom1" elementType="O" x2="-0.4163" y2="0.99704"/> <atom id="GLYCERATE-atom2" elementType="C" x2="0.03704" y2="-0.01926"/> <atom id="GLYCERATE-atom3" elementType="O" x2="-0.4163" y2="-1.0"/> <atom id="GLYCERATE-atom4" elementType="O" x2="-1.0" y2="0.41333"/> <atom id="GLYCERATE-atom5" elementType="C" x2="-0.4163" y2="-0.4163"/> <atom id="GLYCERATE-atom6" elementType="C" x2="-0.4163" y2="0.41333"/> <atom id="GLYCERATE-atom7" elementType="O" x2="0.62074" y2="-0.01926"/> <bond id="GLYCERATE-bond1" atomRefs="GLYCERATE-atom6 GLYCERATE-atom2" order="1"/> <bond id="GLYCERATE-bond2" atomRefs="GLYCERATE-atom6 GLYCERATE-atom4" order="1"/> <bond id="GLYCERATE-bond3" atomRefs="GLYCERATE-atom5 GLYCERATE-atom3" order="1"/> <bond id="GLYCERATE-bond4" atomRefs="GLYCERATE-atom5 GLYCERATE-atom2" order="1"/> <bond id="GLYCERATE-bond5" atomRefs="GLYCERATE-atom2 GLYCERATE-atom7" order="1"/> <bond id="GLYCERATE-bond6" atomRefs="GLYCERATE-atom1 GLYCERATE-atom6" order="2"/> <formula concise="C 3 H 6 O 4" formalCharge="0"/> 106.078 C(O)C(O)C(O)=O
<atom id="OH-PYR-atom1" elementType="C" x2="-0.04974" y2="-0.9554"/> <atom id="OH-PYR-atom2" elementType="O" x2="-0.04974" y2="-0.40652"/> <atom id="OH-PYR-atom3" elementType="C" x2="0.52316" y2="-0.65695"/> <atom id="OH-PYR-atom4" elementType="C" x2="-0.56432" y2="-0.66724"/> <atom id="OH-PYR-atom5" elementType="O" x2="0.99657" y2="-0.93139"/> <atom id="OH-PYR-atom6" elementType="O" x2="0.52316" y2="-0.10806"/> <atom id="OH-PYR-atom7" elementType="O" x2="-1.0" y2="-1.0"/> <bond id="OH-PYR-bond1" atomRefs="OH-PYR-atom7 OH-PYR-atom4" order="1"/> <bond id="OH-PYR-bond2" atomRefs="OH-PYR-atom6 OH-PYR-atom3" order="2"/> <bond id="OH-PYR-bond3" atomRefs="OH-PYR-atom5 OH-PYR-atom3" order="1"/> <bond id="OH-PYR-bond4" atomRefs="OH-PYR-atom4 OH-PYR-atom1" order="1"/> <bond id="OH-PYR-bond5" atomRefs="OH-PYR-atom3 OH-PYR-atom1" order="1"/> <bond id="OH-PYR-bond6" atomRefs="OH-PYR-atom2 OH-PYR-atom1" order="2"/> <formula concise="C 3 H 4 O 4" formalCharge="0"/> 104.062 C(O)(=O)C(=O)CO
<atom id="HISTIDINAL-atom1" elementType="C" x2="-0.2765957" y2="-0.027355611"/> <atom id="HISTIDINAL-atom2" elementType="O" x2="0.9969605" y2="-0.45288754"/> <atom id="HISTIDINAL-atom3" elementType="C" x2="-1.0" y2="-0.027355611"/> <atom id="HISTIDINAL-atom4" elementType="N" x2="0.34954405" y2="-0.32826746"/> <atom id="HISTIDINAL-atom5" elementType="H" x2="0.34954405" y2="-1.0"/> <atom id="HISTIDINAL-atom6" elementType="C" x2="-0.024316072" y2="-0.74772036"/> <atom id="HISTIDINAL-atom7" elementType="N" x2="-1.0" y2="-0.4832827"/> <atom id="HISTIDINAL-atom8" elementType="H" x2="-0.62917936" y2="0.6261399"/> <atom id="HISTIDINAL-atom9" elementType="N" x2="-0.6352583" y2="0.25531912"/> <atom id="HISTIDINAL-atom10" elementType="C" x2="0.34954405" y2="-0.74772036"/> <atom id="HISTIDINAL-atom11" elementType="C" x2="0.69300914" y2="-0.74772036"/> <atom id="HISTIDINAL-atom12" elementType="C" x2="-0.2765957" y2="-0.4832827"/> <bond id="HISTIDINAL-bond1" atomRefs="HISTIDINAL-atom12 HISTIDINAL-atom7" order="A"/> <bond id="HISTIDINAL-bond2" atomRefs="HISTIDINAL-atom11 HISTIDINAL-atom10" order="1"/> <bond id="HISTIDINAL-bond3" atomRefs="HISTIDINAL-atom10 HISTIDINAL-atom5" order="1"/> <bond id="HISTIDINAL-bond4" atomRefs="HISTIDINAL-atom10 HISTIDINAL-atom4" order="1"/> <bond id="HISTIDINAL-bond5" atomRefs="HISTIDINAL-atom9 HISTIDINAL-atom1" order="A"/> <bond id="HISTIDINAL-bond6" atomRefs="HISTIDINAL-atom8 HISTIDINAL-atom9" order="1"/> <bond id="HISTIDINAL-bond7" atomRefs="HISTIDINAL-atom7 HISTIDINAL-atom3" order="A"/> <bond id="HISTIDINAL-bond8" atomRefs="HISTIDINAL-atom6 HISTIDINAL-atom10" order="1"/> <bond id="HISTIDINAL-bond9" atomRefs="HISTIDINAL-atom6 HISTIDINAL-atom12" order="1"/> <bond id="HISTIDINAL-bond10" atomRefs="HISTIDINAL-atom3 HISTIDINAL-atom9" order="A"/> <bond id="HISTIDINAL-bond11" atomRefs="HISTIDINAL-atom2 HISTIDINAL-atom11" order="2"/> <bond id="HISTIDINAL-bond12" atomRefs="HISTIDINAL-atom1 HISTIDINAL-atom12" order="A"/> <formula concise="C 6 H 9 N 3 O 1" formalCharge="0"/> 139.157 c1(c(nc[nH]1)C[CH](N)C=O)
<atom id="HIS-atom1" elementType="N" x2="-0.6342857" y2="0.22857143"/> <atom id="HIS-atom2" elementType="H" x2="-0.6314286" y2="0.4857143"/> <atom id="HIS-atom3" elementType="C" x2="-0.2742857" y2="-0.44285715"/> <atom id="HIS-atom4" elementType="H" x2="0.35428572" y2="-0.91714287"/> <atom id="HIS-atom5" elementType="N" x2="-1.0" y2="-0.44285715"/> <atom id="HIS-atom6" elementType="C" x2="0.7" y2="-0.68"/> <atom id="HIS-atom7" elementType="C" x2="-0.2742857" y2="-0.03142857"/> <atom id="HIS-atom8" elementType="C" x2="0.35428572" y2="-0.68"/> <atom id="HIS-atom9" elementType="C" x2="-0.022857143" y2="-0.68"/> <atom id="HIS-atom10" elementType="N" x2="0.35428572" y2="-0.2857143"/> <atom id="HIS-atom11" elementType="O" x2="0.9285714" y2="-1.0"/> <atom id="HIS-atom12" elementType="C" x2="-1.0" y2="-0.03142857"/> <atom id="HIS-atom13" elementType="O" x2="0.99714285" y2="-0.42"/> <bond id="HIS-bond1" atomRefs="HIS-atom13 HIS-atom6" order="2"/> <bond id="HIS-bond2" atomRefs="HIS-atom12 HIS-atom5" order="A"/> <bond id="HIS-bond3" atomRefs="HIS-atom11 HIS-atom6" order="1"/> <bond id="HIS-bond4" atomRefs="HIS-atom9 HIS-atom8" order="1"/> <bond id="HIS-bond5" atomRefs="HIS-atom9 HIS-atom3" order="1"/> <bond id="HIS-bond6" atomRefs="HIS-atom8 HIS-atom4" order="1"/> <bond id="HIS-bond7" atomRefs="HIS-atom8 HIS-atom10" order="1"/> <bond id="HIS-bond8" atomRefs="HIS-atom7 HIS-atom1" order="A"/> <bond id="HIS-bond9" atomRefs="HIS-atom6 HIS-atom8" order="1"/> <bond id="HIS-bond10" atomRefs="HIS-atom5 HIS-atom3" order="A"/> <bond id="HIS-bond11" atomRefs="HIS-atom3 HIS-atom7" order="A"/> <bond id="HIS-bond12" atomRefs="HIS-atom2 HIS-atom1" order="1"/> <bond id="HIS-bond13" atomRefs="HIS-atom1 HIS-atom12" order="A"/> <formula concise="C 6 H 9 N 3 O 2" formalCharge="0"/> 155.156 C(O)(=O)[CH](N)Cc1(nc[nH]c1)
α-amino-4-imidazoleproprionic acid
(S)-α-amino-1H-imidazole-4-propanoic acid
<atom id="HISTIDINOL-atom1" elementType="C" x2="0.36389685" y2="-0.8080229"/> <atom id="HISTIDINOL-atom2" elementType="C" x2="0.9971347" y2="-0.6246418"/> <atom id="HISTIDINOL-atom3" elementType="C" x2="0.36389685" y2="-0.41547275"/> <atom id="HISTIDINOL-atom4" elementType="C" x2="-0.27793694" y2="-0.78223497"/> <atom id="HISTIDINOL-atom5" elementType="H" x2="0.71919775" y2="0.04011464"/> <atom id="HISTIDINOL-atom6" elementType="C" x2="-0.6475645" y2="-0.9197708"/> <atom id="HISTIDINOL-atom7" elementType="N" x2="0.71919775" y2="-0.26934093"/> <atom id="HISTIDINOL-atom8" elementType="N" x2="-0.27793694" y2="-0.4011461"/> <atom id="HISTIDINOL-atom9" elementType="O" x2="-1.0" y2="-0.76504296"/> <atom id="HISTIDINOL-atom10" elementType="N" x2="0.7277938" y2="-1.0"/> <atom id="HISTIDINOL-atom11" elementType="C" x2="0.037249327" y2="-0.9369627"/> <bond id="HISTIDINOL-bond1" atomRefs="HISTIDINOL-atom11 HISTIDINOL-atom1" order="1"/> <bond id="HISTIDINOL-bond2" atomRefs="HISTIDINOL-atom10 HISTIDINOL-atom1" order="A"/> <bond id="HISTIDINOL-bond3" atomRefs="HISTIDINOL-atom9 HISTIDINOL-atom6" order="1"/> <bond id="HISTIDINOL-bond4" atomRefs="HISTIDINOL-atom8 HISTIDINOL-atom4" order="1"/> <bond id="HISTIDINOL-bond5" atomRefs="HISTIDINOL-atom7 HISTIDINOL-atom2" order="A"/> <bond id="HISTIDINOL-bond6" atomRefs="HISTIDINOL-atom6 HISTIDINOL-atom4" order="1"/> <bond id="HISTIDINOL-bond7" atomRefs="HISTIDINOL-atom5 HISTIDINOL-atom7" order="1"/> <bond id="HISTIDINOL-bond8" atomRefs="HISTIDINOL-atom4 HISTIDINOL-atom11" order="1"/> <bond id="HISTIDINOL-bond9" atomRefs="HISTIDINOL-atom3 HISTIDINOL-atom7" order="A"/> <bond id="HISTIDINOL-bond10" atomRefs="HISTIDINOL-atom2 HISTIDINOL-atom10" order="A"/> <bond id="HISTIDINOL-bond11" atomRefs="HISTIDINOL-atom1 HISTIDINOL-atom3" order="A"/> <formula concise="C 6 H 11 N 3 O 1" formalCharge="0"/> 141.172 c1(c(nc[nH]1)CC(N)CO)
<atom id="HOMO-SER-atom1" elementType="C" x2="0.97" y2="0.7"/> <atom id="HOMO-SER-atom2" elementType="O" x2="2.08" y2="1.14"/> <atom id="HOMO-SER-atom3" elementType="C" x2="0.0" y2="1.45"/> <atom id="HOMO-SER-atom4" elementType="O" x2="0.79" y2="-0.5"/> <atom id="HOMO-SER-atom5" elementType="N" x2="0.75" y2="2.42"/> <atom id="HOMO-SER-atom6" elementType="C" x2="-0.75" y2="0.47"/> <atom id="HOMO-SER-atom7" elementType="O" x2="-2.71" y2="-0.31"/> <atom id="HOMO-SER-atom8" elementType="C" x2="-1.96" y2="0.67"/> <atom id="HOMO-SER-atom9" elementType="H" x2="-0.97" y2="2.2"/> <bond id="HOMO-SER-bond1" atomRefs="HOMO-SER-atom2 HOMO-SER-atom1" order="2"/> <bond id="HOMO-SER-bond2" atomRefs="HOMO-SER-atom3 HOMO-SER-atom1" order="1"/> <bond id="HOMO-SER-bond3" atomRefs="HOMO-SER-atom4 HOMO-SER-atom1" order="1"/> <bond id="HOMO-SER-bond4" atomRefs="HOMO-SER-atom3 HOMO-SER-atom5" order="1"/> <bond id="HOMO-SER-bond5" atomRefs="HOMO-SER-atom6 HOMO-SER-atom3" order="1"/> <bond id="HOMO-SER-bond6" atomRefs="HOMO-SER-atom7 HOMO-SER-atom8" order="1"/> <bond id="HOMO-SER-bond7" atomRefs="HOMO-SER-atom8 HOMO-SER-atom6" order="1"/> <bond id="HOMO-SER-bond8" atomRefs="HOMO-SER-atom3 HOMO-SER-atom9" order="1"/> <formula concise="C 4 H 9 N 1 O 3" formalCharge="0"/> 119.12 C(O)(=O)[CH](N)CCO
<atom id="L-ASPARTATE-SEMIALDEHYDE-atom1" elementType="H" x2="0.0" y2="-2.1074"/> <atom id="L-ASPARTATE-SEMIALDEHYDE-atom2" elementType="N" x2="3.5871" y2="0.0"/> <atom id="L-ASPARTATE-SEMIALDEHYDE-atom3" elementType="O" x2="1.2154" y2="0.0"/> <atom id="L-ASPARTATE-SEMIALDEHYDE-atom4" elementType="O" x2="4.8222" y2="-3.5677"/> <atom id="L-ASPARTATE-SEMIALDEHYDE-atom5" elementType="O" x2="5.9786" y2="-1.3818"/> <atom id="L-ASPARTATE-SEMIALDEHYDE-atom6" elementType="C" x2="2.3915" y2="-2.0876"/> <atom id="L-ASPARTATE-SEMIALDEHYDE-atom7" elementType="C" x2="1.2154" y2="-1.4016"/> <atom id="L-ASPARTATE-SEMIALDEHYDE-atom8" elementType="C" x2="4.8222" y2="-2.166"/> <atom id="L-ASPARTATE-SEMIALDEHYDE-atom9" elementType="C" x2="3.5871" y2="-1.4016"/> <bond id="L-ASPARTATE-SEMIALDEHYDE-bond1" atomRefs="L-ASPARTATE-SEMIALDEHYDE-atom8 L-ASPARTATE-SEMIALDEHYDE-atom9" order="1"/> <bond id="L-ASPARTATE-SEMIALDEHYDE-bond2" atomRefs="L-ASPARTATE-SEMIALDEHYDE-atom6 L-ASPARTATE-SEMIALDEHYDE-atom9" order="1"/> <bond id="L-ASPARTATE-SEMIALDEHYDE-bond3" atomRefs="L-ASPARTATE-SEMIALDEHYDE-atom6 L-ASPARTATE-SEMIALDEHYDE-atom7" order="1"/> <bond id="L-ASPARTATE-SEMIALDEHYDE-bond4" atomRefs="L-ASPARTATE-SEMIALDEHYDE-atom5 L-ASPARTATE-SEMIALDEHYDE-atom8" order="1"/> <bond id="L-ASPARTATE-SEMIALDEHYDE-bond5" atomRefs="L-ASPARTATE-SEMIALDEHYDE-atom4 L-ASPARTATE-SEMIALDEHYDE-atom8" order="2"/> <bond id="L-ASPARTATE-SEMIALDEHYDE-bond6" atomRefs="L-ASPARTATE-SEMIALDEHYDE-atom3 L-ASPARTATE-SEMIALDEHYDE-atom7" order="2"/> <bond id="L-ASPARTATE-SEMIALDEHYDE-bond7" atomRefs="L-ASPARTATE-SEMIALDEHYDE-atom9 L-ASPARTATE-SEMIALDEHYDE-atom2" order="1"/> <bond id="L-ASPARTATE-SEMIALDEHYDE-bond8" atomRefs="L-ASPARTATE-SEMIALDEHYDE-atom1 L-ASPARTATE-SEMIALDEHYDE-atom7" order="1"/> <formula concise="C 4 H 7 N 1 O 3" formalCharge="0"/> 117.104 [CH](=O)CC(N)C(O)=O
<atom id="IMP-atom1" elementType="H" x2="3.4" y2="-6.9"/> <atom id="IMP-atom2" elementType="O" x2="5.7949" y2="-8.2535"/> <atom id="IMP-atom3" elementType="O" x2="1.3645" y2="-0.8263"/> <atom id="IMP-atom4" elementType="O" x2="4.6931" y2="0.0"/> <atom id="IMP-atom5" elementType="O" x2="7.6738" y2="-0.0129"/> <atom id="IMP-atom6" elementType="O" x2="1.3682" y2="-3.5927"/> <atom id="IMP-atom7" elementType="O" x2="0.0" y2="-2.2263"/> <atom id="IMP-atom8" elementType="C" x2="4.6153" y2="-4.8224"/> <atom id="IMP-atom9" elementType="C" x2="9.1131" y2="-5.506"/> <atom id="IMP-atom10" elementType="C" x2="3.7565" y2="-2.8253"/> <atom id="IMP-atom11" elementType="N" x2="8.3122" y2="-6.6288"/> <atom id="IMP-atom12" elementType="N" x2="5.7988" y2="-4.1239"/> <atom id="IMP-atom13" elementType="O" x2="2.7382" y2="-2.2227"/> <atom id="IMP-atom14" elementType="O" x2="6.1558" y2="-3.2201"/> <atom id="IMP-atom15" elementType="C" x2="5.7988" y2="-6.8871"/> <atom id="IMP-atom16" elementType="C" x2="6.9972" y2="-6.2039"/> <atom id="IMP-atom17" elementType="C" x2="6.9972" y2="-4.8224"/> <atom id="IMP-atom18" elementType="C" x2="5.4774" y2="-1.1193"/> <atom id="IMP-atom19" elementType="C" x2="6.8644" y2="-1.1193"/> <atom id="IMP-atom20" elementType="C" x2="5.0436" y2="-2.4231"/> <atom id="IMP-atom21" elementType="C" x2="7.2781" y2="-2.3954"/> <atom id="IMP-atom22" elementType="N" x2="4.6153" y2="-6.2039"/> <atom id="IMP-atom23" elementType="N" x2="8.3085" y2="-4.4051"/> <atom id="IMP-atom24" elementType="P" x2="1.3664" y2="-2.2263"/> <bond id="IMP-bond1" atomRefs="IMP-atom21 IMP-atom23" order="1"/> <bond id="IMP-bond2" atomRefs="IMP-atom19 IMP-atom21" order="1"/> <bond id="IMP-bond3" atomRefs="IMP-atom18 IMP-atom20" order="1"/> <bond id="IMP-bond4" atomRefs="IMP-atom18 IMP-atom19" order="1"/> <bond id="IMP-bond5" atomRefs="IMP-atom17 IMP-atom23" order="A"/> <bond id="IMP-bond6" atomRefs="IMP-atom16 IMP-atom17" order="A"/> <bond id="IMP-bond7" atomRefs="IMP-atom22 IMP-atom15" order="A"/> <bond id="IMP-bond8" atomRefs="IMP-atom15 IMP-atom16" order="A"/> <bond id="IMP-bond9" atomRefs="IMP-atom14 IMP-atom21" order="1"/> <bond id="IMP-bond10" atomRefs="IMP-atom14 IMP-atom20" order="1"/> <bond id="IMP-bond11" atomRefs="IMP-atom13 IMP-atom24" order="1"/> <bond id="IMP-bond12" atomRefs="IMP-atom17 IMP-atom12" order="A"/> <bond id="IMP-bond13" atomRefs="IMP-atom11 IMP-atom16" order="A"/> <bond id="IMP-bond14" atomRefs="IMP-atom20 IMP-atom10" order="1"/> <bond id="IMP-bond15" atomRefs="IMP-atom10 IMP-atom13" order="1"/> <bond id="IMP-bond16" atomRefs="IMP-atom23 IMP-atom9" order="A"/> <bond id="IMP-bond17" atomRefs="IMP-atom9 IMP-atom11" order="A"/> <bond id="IMP-bond18" atomRefs="IMP-atom8 IMP-atom22" order="A"/> <bond id="IMP-bond19" atomRefs="IMP-atom12 IMP-atom8" order="A"/> <bond id="IMP-bond20" atomRefs="IMP-atom7 IMP-atom24" order="1"/> <bond id="IMP-bond21" atomRefs="IMP-atom6 IMP-atom24" order="1"/> <bond id="IMP-bond22" atomRefs="IMP-atom19 IMP-atom5" order="1"/> <bond id="IMP-bond23" atomRefs="IMP-atom18 IMP-atom4" order="1"/> <bond id="IMP-bond24" atomRefs="IMP-atom3 IMP-atom24" order="2"/> <bond id="IMP-bond25" atomRefs="IMP-atom2 IMP-atom15" order="2"/> <bond id="IMP-bond26" atomRefs="IMP-atom1 IMP-atom22" order="1"/> <formula concise="C 10 H 13 N 4 O 8 P 1" formalCharge="0"/> 348.208 C(OP(O)(O)=O)C1(OC(C(O)C1O)n2(c3(c(nc2)c(=O)[nH]cn3)))
<atom id="XANTHOSINE-5-PHOSPHATE-atom1" elementType="H" x2="2.9576" y2="-8.084"/> <atom id="XANTHOSINE-5-PHOSPHATE-atom2" elementType="H" x2="5.4706" y2="-4.0103"/> <atom id="XANTHOSINE-5-PHOSPHATE-atom3" elementType="H" x2="4.7546" y2="-1.6695"/> <atom id="XANTHOSINE-5-PHOSPHATE-atom4" elementType="H" x2="6.9868" y2="-1.6695"/> <atom id="XANTHOSINE-5-PHOSPHATE-atom5" elementType="H" x2="4.0649" y2="-1.3975"/> <atom id="XANTHOSINE-5-PHOSPHATE-atom6" elementType="H" x2="7.7128" y2="-1.5788"/> <atom id="XANTHOSINE-5-PHOSPHATE-atom7" elementType="O" x2="5.3354" y2="-9.5273"/> <atom id="XANTHOSINE-5-PHOSPHATE-atom8" elementType="O" x2="3.1032" y2="-5.3899"/> <atom id="XANTHOSINE-5-PHOSPHATE-atom9" elementType="O" x2="1.3975" y2="-4.5007"/> <atom id="XANTHOSINE-5-PHOSPHATE-atom10" elementType="O" x2="4.7546" y2="0.0"/> <atom id="XANTHOSINE-5-PHOSPHATE-atom11" elementType="O" x2="6.9868" y2="0.0"/> <atom id="XANTHOSINE-5-PHOSPHATE-atom12" elementType="O" x2="1.3975" y2="-1.7239"/> <atom id="XANTHOSINE-5-PHOSPHATE-atom13" elementType="O" x2="0.0" y2="-3.0851"/> <atom id="XANTHOSINE-5-PHOSPHATE-atom14" elementType="C" x2="8.6563" y2="-6.8055"/> <atom id="XANTHOSINE-5-PHOSPHATE-atom15" elementType="C" x2="4.0649" y2="-3.0851"/> <atom id="XANTHOSINE-5-PHOSPHATE-atom16" elementType="N" x2="7.6946" y2="-8.0392"/> <atom id="XANTHOSINE-5-PHOSPHATE-atom17" elementType="O" x2="2.6856" y2="-3.0851"/> <atom id="XANTHOSINE-5-PHOSPHATE-atom18" elementType="O" x2="5.8977" y2="-3.2121"/> <atom id="XANTHOSINE-5-PHOSPHATE-atom19" elementType="C" x2="5.3354" y2="-8.148"/> <atom id="XANTHOSINE-5-PHOSPHATE-atom20" elementType="C" x2="4.21" y2="-6.2065"/> <atom id="XANTHOSINE-5-PHOSPHATE-atom21" elementType="C" x2="6.4785" y2="-7.5309"/> <atom id="XANTHOSINE-5-PHOSPHATE-atom22" elementType="C" x2="6.4785" y2="-6.1883"/> <atom id="XANTHOSINE-5-PHOSPHATE-atom23" elementType="N" x2="4.21" y2="-7.4584"/> <atom id="XANTHOSINE-5-PHOSPHATE-atom24" elementType="N" x2="5.3899" y2="-5.408"/> <atom id="XANTHOSINE-5-PHOSPHATE-atom25" elementType="N" x2="7.7128" y2="-5.5349"/> <atom id="XANTHOSINE-5-PHOSPHATE-atom26" elementType="C" x2="4.7546" y2="-0.8348"/> <atom id="XANTHOSINE-5-PHOSPHATE-atom27" elementType="C" x2="6.9868" y2="-0.8348"/> <atom id="XANTHOSINE-5-PHOSPHATE-atom28" elementType="C" x2="4.0649" y2="-2.2141"/> <atom id="XANTHOSINE-5-PHOSPHATE-atom29" elementType="C" x2="7.7128" y2="-2.4136"/> <atom id="XANTHOSINE-5-PHOSPHATE-atom30" elementType="P" x2="1.3975" y2="-3.0851"/> <bond id="XANTHOSINE-5-PHOSPHATE-bond1" atomRefs="XANTHOSINE-5-PHOSPHATE-atom27 XANTHOSINE-5-PHOSPHATE-atom29" order="1"/> <bond id="XANTHOSINE-5-PHOSPHATE-bond2" atomRefs="XANTHOSINE-5-PHOSPHATE-atom26 XANTHOSINE-5-PHOSPHATE-atom28" order="1"/> <bond id="XANTHOSINE-5-PHOSPHATE-bond3" atomRefs="XANTHOSINE-5-PHOSPHATE-atom26 XANTHOSINE-5-PHOSPHATE-atom27" order="1"/> <bond id="XANTHOSINE-5-PHOSPHATE-bond4" atomRefs="XANTHOSINE-5-PHOSPHATE-atom25 XANTHOSINE-5-PHOSPHATE-atom29" order="1"/> <bond id="XANTHOSINE-5-PHOSPHATE-bond5" atomRefs="XANTHOSINE-5-PHOSPHATE-atom22 XANTHOSINE-5-PHOSPHATE-atom25" order="A"/> <bond id="XANTHOSINE-5-PHOSPHATE-bond6" atomRefs="XANTHOSINE-5-PHOSPHATE-atom24 XANTHOSINE-5-PHOSPHATE-atom22" order="A"/> <bond id="XANTHOSINE-5-PHOSPHATE-bond7" atomRefs="XANTHOSINE-5-PHOSPHATE-atom21 XANTHOSINE-5-PHOSPHATE-atom22" order="A"/> <bond id="XANTHOSINE-5-PHOSPHATE-bond8" atomRefs="XANTHOSINE-5-PHOSPHATE-atom20 XANTHOSINE-5-PHOSPHATE-atom24" order="A"/> <bond id="XANTHOSINE-5-PHOSPHATE-bond9" atomRefs="XANTHOSINE-5-PHOSPHATE-atom23 XANTHOSINE-5-PHOSPHATE-atom20" order="A"/> <bond id="XANTHOSINE-5-PHOSPHATE-bond10" atomRefs="XANTHOSINE-5-PHOSPHATE-atom19 XANTHOSINE-5-PHOSPHATE-atom23" order="A"/> <bond id="XANTHOSINE-5-PHOSPHATE-bond11" atomRefs="XANTHOSINE-5-PHOSPHATE-atom21 XANTHOSINE-5-PHOSPHATE-atom19" order="A"/> <bond id="XANTHOSINE-5-PHOSPHATE-bond12" atomRefs="XANTHOSINE-5-PHOSPHATE-atom18 XANTHOSINE-5-PHOSPHATE-atom29" order="1"/> <bond id="XANTHOSINE-5-PHOSPHATE-bond13" atomRefs="XANTHOSINE-5-PHOSPHATE-atom18 XANTHOSINE-5-PHOSPHATE-atom28" order="1"/> <bond id="XANTHOSINE-5-PHOSPHATE-bond14" atomRefs="XANTHOSINE-5-PHOSPHATE-atom17 XANTHOSINE-5-PHOSPHATE-atom30" order="1"/> <bond id="XANTHOSINE-5-PHOSPHATE-bond15" atomRefs="XANTHOSINE-5-PHOSPHATE-atom16 XANTHOSINE-5-PHOSPHATE-atom21" order="A"/> <bond id="XANTHOSINE-5-PHOSPHATE-bond16" atomRefs="XANTHOSINE-5-PHOSPHATE-atom15 XANTHOSINE-5-PHOSPHATE-atom28" order="1"/> <bond id="XANTHOSINE-5-PHOSPHATE-bond17" atomRefs="XANTHOSINE-5-PHOSPHATE-atom15 XANTHOSINE-5-PHOSPHATE-atom17" order="1"/> <bond id="XANTHOSINE-5-PHOSPHATE-bond18" atomRefs="XANTHOSINE-5-PHOSPHATE-atom25 XANTHOSINE-5-PHOSPHATE-atom14" order="A"/> <bond id="XANTHOSINE-5-PHOSPHATE-bond19" atomRefs="XANTHOSINE-5-PHOSPHATE-atom14 XANTHOSINE-5-PHOSPHATE-atom16" order="A"/> <bond id="XANTHOSINE-5-PHOSPHATE-bond20" atomRefs="XANTHOSINE-5-PHOSPHATE-atom13 XANTHOSINE-5-PHOSPHATE-atom30" order="1"/> <bond id="XANTHOSINE-5-PHOSPHATE-bond21" atomRefs="XANTHOSINE-5-PHOSPHATE-atom12 XANTHOSINE-5-PHOSPHATE-atom30" order="1"/> <bond id="XANTHOSINE-5-PHOSPHATE-bond22" atomRefs="XANTHOSINE-5-PHOSPHATE-atom11 XANTHOSINE-5-PHOSPHATE-atom27" order="1"/> <bond id="XANTHOSINE-5-PHOSPHATE-bond23" atomRefs="XANTHOSINE-5-PHOSPHATE-atom10 XANTHOSINE-5-PHOSPHATE-atom26" order="1"/> <bond id="XANTHOSINE-5-PHOSPHATE-bond24" atomRefs="XANTHOSINE-5-PHOSPHATE-atom9 XANTHOSINE-5-PHOSPHATE-atom30" order="2"/> <bond id="XANTHOSINE-5-PHOSPHATE-bond25" atomRefs="XANTHOSINE-5-PHOSPHATE-atom8 XANTHOSINE-5-PHOSPHATE-atom20" order="2"/> <bond id="XANTHOSINE-5-PHOSPHATE-bond26" atomRefs="XANTHOSINE-5-PHOSPHATE-atom7 XANTHOSINE-5-PHOSPHATE-atom19" order="2"/> <bond id="XANTHOSINE-5-PHOSPHATE-bond27" atomRefs="XANTHOSINE-5-PHOSPHATE-atom6 XANTHOSINE-5-PHOSPHATE-atom29" order="1"/> <bond id="XANTHOSINE-5-PHOSPHATE-bond28" atomRefs="XANTHOSINE-5-PHOSPHATE-atom5 XANTHOSINE-5-PHOSPHATE-atom28" order="1"/> <bond id="XANTHOSINE-5-PHOSPHATE-bond29" atomRefs="XANTHOSINE-5-PHOSPHATE-atom4 XANTHOSINE-5-PHOSPHATE-atom27" order="1"/> <bond id="XANTHOSINE-5-PHOSPHATE-bond30" atomRefs="XANTHOSINE-5-PHOSPHATE-atom3 XANTHOSINE-5-PHOSPHATE-atom26" order="1"/> <bond id="XANTHOSINE-5-PHOSPHATE-bond31" atomRefs="XANTHOSINE-5-PHOSPHATE-atom2 XANTHOSINE-5-PHOSPHATE-atom24" order="1"/> <bond id="XANTHOSINE-5-PHOSPHATE-bond32" atomRefs="XANTHOSINE-5-PHOSPHATE-atom1 XANTHOSINE-5-PHOSPHATE-atom23" order="1"/> <formula concise="C 10 H 13 N 4 O 9 P 1" formalCharge="0"/> 364.208 C(OP(O)(O)=O)[CH]1(O[CH]([CH](O)[CH]1O)n2(c3(c(nc2)c(=O)[nH]c([nH]3)=O)))
threo-D(s)-isocitrate oxidoreductase (decarboxylating)
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UDP-glucose participates in a variety of enzymatic reactions, including: 1. Metabolism of polysaccharaides (glycogen, starch, laminarin and cellulose), disaccharides (sucrose, trehalose), β-glucosides, UDP-glucuronate and glucpsyl-ceramide. 2. Galactose entry into glycolysis 3. Synthesis of periplasmic membrane-derived oligosaccharides 4. Glucosylation of hydroxymethylcytosine residues in cells infected by T-even phages 5. Synthesis of the core region of lipopolysaccharides in Gram-negative bacteria 6. Glucosylation of wall teichoic acids in Gram-positive bacteria (|CITS: [8126437]| and references therein). In addition, it has been suggested that UDP-D-glucose can act as an extracellular signaling molecule |CITS: [12695547]|.
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atomRefs="UDP-GLUCURONATE-atom15 UDP-GLUCURONATE-atom38" order="2"/> <bond id="UDP-GLUCURONATE-bond2" atomRefs="UDP-GLUCURONATE-atom34 UDP-GLUCURONATE-atom37" order="1"/> <bond id="UDP-GLUCURONATE-bond3" atomRefs="UDP-GLUCURONATE-atom32 UDP-GLUCURONATE-atom36" order="2"/> <bond id="UDP-GLUCURONATE-bond4" atomRefs="UDP-GLUCURONATE-atom31 UDP-GLUCURONATE-atom35" order="2"/> <bond id="UDP-GLUCURONATE-bond5" atomRefs="UDP-GLUCURONATE-atom34 UDP-GLUCURONATE-atom32" order="A"/> <bond id="UDP-GLUCURONATE-bond6" atomRefs="UDP-GLUCURONATE-atom31 UDP-GLUCURONATE-atom34" order="A"/> <bond id="UDP-GLUCURONATE-bond7" atomRefs="UDP-GLUCURONATE-atom33 UDP-GLUCURONATE-atom31" order="A"/> <bond id="UDP-GLUCURONATE-bond8" atomRefs="UDP-GLUCURONATE-atom30 UDP-GLUCURONATE-atom33" order="A"/> <bond id="UDP-GLUCURONATE-bond9" atomRefs="UDP-GLUCURONATE-atom32 UDP-GLUCURONATE-atom29" order="A"/> <bond id="UDP-GLUCURONATE-bond10" atomRefs="UDP-GLUCURONATE-atom29 UDP-GLUCURONATE-atom30" order="A"/> <bond id="UDP-GLUCURONATE-bond11" atomRefs="UDP-GLUCURONATE-atom23 UDP-GLUCURONATE-atom27" order="1"/> <bond id="UDP-GLUCURONATE-bond12" atomRefs="UDP-GLUCURONATE-atom22 UDP-GLUCURONATE-atom28" order="1"/> <bond id="UDP-GLUCURONATE-bond13" atomRefs="UDP-GLUCURONATE-atom24 UDP-GLUCURONATE-atom33" order="1"/> <bond id="UDP-GLUCURONATE-bond14" atomRefs="UDP-GLUCURONATE-atom21 UDP-GLUCURONATE-atom25" order="1"/> <bond id="UDP-GLUCURONATE-bond15" atomRefs="UDP-GLUCURONATE-atom23 UDP-GLUCURONATE-atom24" order="1"/> <bond id="UDP-GLUCURONATE-bond16" atomRefs="UDP-GLUCURONATE-atom22 UDP-GLUCURONATE-atom23" order="1"/> <bond id="UDP-GLUCURONATE-bond17" atomRefs="UDP-GLUCURONATE-atom21 UDP-GLUCURONATE-atom22" order="1"/> <bond id="UDP-GLUCURONATE-bond18" atomRefs="UDP-GLUCURONATE-atom26 UDP-GLUCURONATE-atom24" order="1"/> <bond id="UDP-GLUCURONATE-bond19" atomRefs="UDP-GLUCURONATE-atom26 UDP-GLUCURONATE-atom21" order="1"/> <bond id="UDP-GLUCURONATE-bond20" atomRefs="UDP-GLUCURONATE-atom20 UDP-GLUCURONATE-atom25" order="1"/> <bond id="UDP-GLUCURONATE-bond21" atomRefs="UDP-GLUCURONATE-atom15 UDP-GLUCURONATE-atom16" order="1"/> <bond id="UDP-GLUCURONATE-bond22" atomRefs="UDP-GLUCURONATE-atom12 UDP-GLUCURONATE-atom14" order="1"/> <bond id="UDP-GLUCURONATE-bond23" atomRefs="UDP-GLUCURONATE-atom12 UDP-GLUCURONATE-atom20" order="1"/> <bond id="UDP-GLUCURONATE-bond24" atomRefs="UDP-GLUCURONATE-atom12 UDP-GLUCURONATE-atom13" order="1"/> <bond id="UDP-GLUCURONATE-bond25" atomRefs="UDP-GLUCURONATE-atom11 UDP-GLUCURONATE-atom12" order="2"/> <bond id="UDP-GLUCURONATE-bond26" atomRefs="UDP-GLUCURONATE-atom8 UDP-GLUCURONATE-atom10" order="2"/> <bond id="UDP-GLUCURONATE-bond27" atomRefs="UDP-GLUCURONATE-atom8 UDP-GLUCURONATE-atom13" order="1"/> <bond id="UDP-GLUCURONATE-bond28" atomRefs="UDP-GLUCURONATE-atom8 UDP-GLUCURONATE-atom9" order="1"/> <bond id="UDP-GLUCURONATE-bond29" atomRefs="UDP-GLUCURONATE-atom7 UDP-GLUCURONATE-atom8" order="1"/> <bond id="UDP-GLUCURONATE-bond30" atomRefs="UDP-GLUCURONATE-atom5 UDP-GLUCURONATE-atom9" order="1"/> <bond id="UDP-GLUCURONATE-bond31" atomRefs="UDP-GLUCURONATE-atom4 UDP-GLUCURONATE-atom17" order="1"/> <bond id="UDP-GLUCURONATE-bond32" atomRefs="UDP-GLUCURONATE-atom2 UDP-GLUCURONATE-atom19" order="1"/> <bond id="UDP-GLUCURONATE-bond33" atomRefs="UDP-GLUCURONATE-atom3 UDP-GLUCURONATE-atom18" order="1"/> <bond id="UDP-GLUCURONATE-bond34" atomRefs="UDP-GLUCURONATE-atom1 UDP-GLUCURONATE-atom15" order="1"/> <bond id="UDP-GLUCURONATE-bond35" atomRefs="UDP-GLUCURONATE-atom5 UDP-GLUCURONATE-atom6" order="1"/> <bond id="UDP-GLUCURONATE-bond36" atomRefs="UDP-GLUCURONATE-atom4 UDP-GLUCURONATE-atom5" order="1"/> <bond id="UDP-GLUCURONATE-bond37" atomRefs="UDP-GLUCURONATE-atom3 UDP-GLUCURONATE-atom4" order="1"/> <bond id="UDP-GLUCURONATE-bond38" atomRefs="UDP-GLUCURONATE-atom2 UDP-GLUCURONATE-atom3" order="1"/> <bond id="UDP-GLUCURONATE-bond39" atomRefs="UDP-GLUCURONATE-atom1 UDP-GLUCURONATE-atom6" order="1"/> <bond id="UDP-GLUCURONATE-bond40" atomRefs="UDP-GLUCURONATE-atom1 UDP-GLUCURONATE-atom2" order="1"/> <formula concise="C 15 H 22 N 2 O 18 P 2" formalCharge="0"/> 580.289 C1(C(O)C(O)C(O)C(O1)C(=O)O)OP(O)(=O)OP(=O)(O)OCC2(OC(C(O)C(O)2)n3(c(=O)[nH]c(=O)cc3))
<cml> <molecule id="S-2-Hydroxyacids1" title="an (S)-2-hydroxyacid"> <atomArray> <atom id="S-2-Hydroxyacids1-atom1" elementType="H" x2="0.9772" y2="-3.4186"/> <atom id="S-2-Hydroxyacids1-atom2" elementType="O" x2="2.6667" y2="-0.0627"/> <atom id="S-2-Hydroxyacids1-atom3" elementType="O" x2="0.7099" y2="0.0"/> <atom id="S-2-Hydroxyacids1-atom4" elementType="O" x2="2.9388" y2="-2.0854"/> <atom id="S-2-Hydroxyacids1-atom5" elementType="R1" x2="0.0" y2="-1.3007"/> <atom id="S-2-Hydroxyacids1-atom6" elementType="C" x2="1.5815" y2="-0.6382"/> <atom id="S-2-Hydroxyacids1-atom7" elementType="C" x2="1.5732" y2="-2.1859"/> </atomArray> <bondArray> <bond id="S-2-Hydroxyacids1-bond1" atomRefs="S-2-Hydroxyacids1-atom7 S-2-Hydroxyacids1-atom6" order="1"/> <bond id="S-2-Hydroxyacids1-bond2" atomRefs="S-2-Hydroxyacids1-atom5 S-2-Hydroxyacids1-atom7" order="1"/> <bond id="S-2-Hydroxyacids1-bond3" atomRefs="S-2-Hydroxyacids1-atom4 S-2-Hydroxyacids1-atom7" order="1"/> <bond id="S-2-Hydroxyacids1-bond4" atomRefs="S-2-Hydroxyacids1-atom3 S-2-Hydroxyacids1-atom6" order="1"/> <bond id="S-2-Hydroxyacids1-bond5" atomRefs="S-2-Hydroxyacids1-atom2 S-2-Hydroxyacids1-atom6" order="2"/> <bond id="S-2-Hydroxyacids1-bond6" atomRefs="S-2-Hydroxyacids1-atom1 S-2-Hydroxyacids1-atom7" order="1"/> </bondArray> <formula concise="C 2 H 3 O 3 R1 1" formalCharge="0"/> <string title="smiles">C(=O)(O)[CH]([R1])O</string> </molecule> </cml>
<atom id="HYDROGEN-PEROXIDE-atom1" elementType="O" x2="0.9967" y2="-1.0"/> <atom id="HYDROGEN-PEROXIDE-atom2" elementType="O" x2="-1.0" y2="-1.0"/> <bond id="HYDROGEN-PEROXIDE-bond1" atomRefs="HYDROGEN-PEROXIDE-atom2 HYDROGEN-PEROXIDE-atom1" order="1"/> <formula concise="H 2 O 2" formalCharge="0"/> 34.015 OO
This compound class stands for generic and unspecified 2-oxo acids.
<cml> <molecule id="2-Oxo-Acids" title="a 2-oxo acid" dictRef="dict2-Oxo-Acids"> <atomArray> <atom id="2-Oxo-Acids-atom1" elementType="O" x2="0.22000003" y2="0.93999994"/> <atom id="2-Oxo-Acids-atom2" elementType="O" x2="0.9799999" y2="0.19999993"/> <atom id="2-Oxo-Acids-atom3" elementType="C" x2="0.22000003" y2="0.22000003"/> <atom id="2-Oxo-Acids-atom4" elementType="C" x2="-0.26" y2="-0.3"/> <atom id="2-Oxo-Acids-atom5" elementType="R" x2="-1.0" y2="0.19999993"/> <atom id="2-Oxo-Acids-atom6" elementType="O" x2="-0.26" y2="-1.0"/> </atomArray> <bondArray> <bond id="2-Oxo-Acids-bond1" atomRefs="2-Oxo-Acids-atom5 2-Oxo-Acids-atom4" order="1"/> <bond id="2-Oxo-Acids-bond2" atomRefs="2-Oxo-Acids-atom4 2-Oxo-Acids-atom6" order="2"/> <bond id="2-Oxo-Acids-bond3" atomRefs="2-Oxo-Acids-atom4 2-Oxo-Acids-atom3" order="1"/> <bond id="2-Oxo-Acids-bond4" atomRefs="2-Oxo-Acids-atom3 2-Oxo-Acids-atom2" order="2"/> <bond id="2-Oxo-Acids-bond5" atomRefs="2-Oxo-Acids-atom3 2-Oxo-Acids-atom1" order="1"/> </bondArray> <formula concise="C 2 H 1 O 3 R 1" formalCharge="0"/> </molecule> </cml>
<atom id="GLYCOLLATE-atom1" elementType="C" x2="0.34017" y2="-0.60342"/> <atom id="GLYCOLLATE-atom2" elementType="C" x2="-0.34359" y2="-1.0"/> <atom id="GLYCOLLATE-atom3" elementType="O" x2="0.34017" y2="0.15214"/> <atom id="GLYCOLLATE-atom4" elementType="O" x2="0.99658" y2="-0.97949"/> <atom id="GLYCOLLATE-atom5" elementType="O" x2="-1.0" y2="-0.62393"/> <bond id="GLYCOLLATE-bond1" atomRefs="GLYCOLLATE-atom5 GLYCOLLATE-atom2" order="1"/> <bond id="GLYCOLLATE-bond2" atomRefs="GLYCOLLATE-atom4 GLYCOLLATE-atom1" order="1"/> <bond id="GLYCOLLATE-bond3" atomRefs="GLYCOLLATE-atom3 GLYCOLLATE-atom1" order="2"/> <bond id="GLYCOLLATE-bond4" atomRefs="GLYCOLLATE-atom2 GLYCOLLATE-atom1" order="1"/> <formula concise="C 2 H 4 O 3" formalCharge="0"/> 76.052 C(=O)(O)CO
<atom id="GLYOX-atom1" elementType="C" x2="-0.49175" y2="-0.13861"/> <atom id="GLYOX-atom2" elementType="H" x2="0.9934" y2="0.72607"/> <atom id="GLYOX-atom3" elementType="C" x2="0.49835" y2="-0.13861"/> <atom id="GLYOX-atom4" elementType="O" x2="-0.9835" y2="0.72937"/> <atom id="GLYOX-atom5" elementType="O" x2="0.9967" y2="-1.0"/> <atom id="GLYOX-atom6" elementType="O" x2="-1.0" y2="-0.9967"/> <bond id="GLYOX-bond1" atomRefs="GLYOX-atom6 GLYOX-atom1" order="1"/> <bond id="GLYOX-bond2" atomRefs="GLYOX-atom5 GLYOX-atom3" order="2"/> <bond id="GLYOX-bond3" atomRefs="GLYOX-atom4 GLYOX-atom1" order="2"/> <bond id="GLYOX-bond4" atomRefs="GLYOX-atom3 GLYOX-atom1" order="1"/> <bond id="GLYOX-bond5" atomRefs="GLYOX-atom2 GLYOX-atom3" order="1"/> <formula concise="C 2 H 2 O 3" formalCharge="0"/> 74.036 C(=O)(O)[CH]=O
<atom id="GLYCEROL-3P-atom1" elementType="O" x2="6.3223" y2="-2.5182"/> <atom id="GLYCEROL-3P-atom2" elementType="O" x2="0.0" y2="-2.3197"/> <atom id="GLYCEROL-3P-atom3" elementType="O" x2="2.9469" y2="0.0"/> <atom id="GLYCEROL-3P-atom4" elementType="O" x2="6.0193" y2="-4.5456"/> <atom id="GLYCEROL-3P-atom5" elementType="O" x2="3.9709" y2="-4.1904"/> <atom id="GLYCEROL-3P-atom6" elementType="C" x2="0.8777" y2="-1.1807"/> <atom id="GLYCEROL-3P-atom7" elementType="C" x2="2.9365" y2="-2.2047"/> <atom id="GLYCEROL-3P-atom8" elementType="O" x2="4.3367" y2="-2.2047"/> <atom id="GLYCEROL-3P-atom9" elementType="C" x2="2.1215" y2="-1.1807"/> <atom id="GLYCEROL-3P-atom10" elementType="P" x2="5.1624" y2="-3.3753"/> <bond id="GLYCEROL-3P-bond1" atomRefs="GLYCEROL-3P-atom8 GLYCEROL-3P-atom10" order="1"/> <bond id="GLYCEROL-3P-bond2" atomRefs="GLYCEROL-3P-atom7 GLYCEROL-3P-atom9" order="1"/> <bond id="GLYCEROL-3P-bond3" atomRefs="GLYCEROL-3P-atom7 GLYCEROL-3P-atom8" order="1"/> <bond id="GLYCEROL-3P-bond4" atomRefs="GLYCEROL-3P-atom6 GLYCEROL-3P-atom9" order="1"/> <bond id="GLYCEROL-3P-bond5" atomRefs="GLYCEROL-3P-atom5 GLYCEROL-3P-atom10" order="1"/> <bond id="GLYCEROL-3P-bond6" atomRefs="GLYCEROL-3P-atom4 GLYCEROL-3P-atom10" order="1"/> <bond id="GLYCEROL-3P-bond7" atomRefs="GLYCEROL-3P-atom9 GLYCEROL-3P-atom3" order="1"/> <bond id="GLYCEROL-3P-bond8" atomRefs="GLYCEROL-3P-atom2 GLYCEROL-3P-atom6" order="1"/> <bond id="GLYCEROL-3P-bond9" atomRefs="GLYCEROL-3P-atom1 GLYCEROL-3P-atom10" order="2"/> <formula concise="C 3 H 9 O 6 P 1" formalCharge="0"/> 172.074 C(O)C(O)COP(O)(O)=O
<atom id="UBIQUINONE-8-atom1" elementType="C" x2="0.0" y2="-0.4979"/> <atom id="UBIQUINONE-8-atom2" elementType="C" x2="0.5863" y2="-5.7229"/> <atom id="UBIQUINONE-8-atom3" elementType="C" x2="38.5385" y2="-5.7627"/> <atom id="UBIQUINONE-8-atom4" elementType="C" x2="39.2911" y2="-3.7817"/> <atom id="UBIQUINONE-8-atom5" elementType="C" x2="34.3993" y2="-5.7627"/> <atom id="UBIQUINONE-8-atom6" elementType="C" x2="30.2602" y2="-5.7627"/> <atom id="UBIQUINONE-8-atom7" elementType="C" x2="26.1211" y2="-5.7627"/> <atom id="UBIQUINONE-8-atom8" elementType="C" x2="21.9819" y2="-5.7627"/> <atom id="UBIQUINONE-8-atom9" elementType="C" x2="17.8428" y2="-5.7627"/> <atom id="UBIQUINONE-8-atom10" elementType="C" x2="13.7036" y2="-5.7627"/> <atom id="UBIQUINONE-8-atom11" elementType="C" x2="9.4578" y2="-6.0433"/> <atom id="UBIQUINONE-8-atom12" elementType="C" x2="6.9098" y2="-1.5476"/> <atom id="UBIQUINONE-8-atom13" elementType="O" x2="4.3031" y2="0.0"/> <atom id="UBIQUINONE-8-atom14" elementType="O" x2="4.2463" y2="-6.0433"/> <atom id="UBIQUINONE-8-atom15" elementType="C" x2="37.4354" y2="-3.7817"/> <atom id="UBIQUINONE-8-atom16" elementType="C" x2="33.2963" y2="-3.7817"/> <atom id="UBIQUINONE-8-atom17" elementType="C" x2="29.1571" y2="-3.7817"/> <atom id="UBIQUINONE-8-atom18" elementType="C" x2="25.018" y2="-3.7817"/> <atom id="UBIQUINONE-8-atom19" elementType="C" x2="20.8788" y2="-3.7817"/> <atom id="UBIQUINONE-8-atom20" elementType="C" x2="16.7397" y2="-3.7817"/> <atom id="UBIQUINONE-8-atom21" elementType="C" x2="12.6006" y2="-3.7817"/> <atom id="UBIQUINONE-8-atom22" elementType="C" x2="8.1985" y2="-3.7817"/> <atom id="UBIQUINONE-8-atom23" elementType="C" x2="36.3067" y2="-4.7094"/> <atom id="UBIQUINONE-8-atom24" elementType="C" x2="32.1676" y2="-4.7094"/> <atom id="UBIQUINONE-8-atom25" elementType="C" x2="28.0284" y2="-4.7094"/> <atom id="UBIQUINONE-8-atom26" elementType="C" x2="23.8891" y2="-4.7094"/> <atom id="UBIQUINONE-8-atom27" elementType="C" x2="19.7499" y2="-4.7094"/> <atom id="UBIQUINONE-8-atom28" elementType="C" x2="15.6108" y2="-4.7094"/> <atom id="UBIQUINONE-8-atom29" elementType="C" x2="11.4717" y2="-4.7094"/> <atom id="UBIQUINONE-8-atom30" elementType="C" x2="6.9098" y2="-4.8409"/> <atom id="UBIQUINONE-8-atom31" elementType="C" x2="35.1519" y2="-3.7817"/> <atom id="UBIQUINONE-8-atom32" elementType="C" x2="31.0127" y2="-3.7817"/> <atom id="UBIQUINONE-8-atom33" elementType="C" x2="26.8736" y2="-3.7817"/> <atom id="UBIQUINONE-8-atom34" elementType="C" x2="22.7344" y2="-3.7817"/> <atom id="UBIQUINONE-8-atom35" elementType="C" x2="18.5953" y2="-3.7817"/> <atom id="UBIQUINONE-8-atom36" elementType="C" x2="14.4562" y2="-3.7817"/> <atom id="UBIQUINONE-8-atom37" elementType="C" x2="10.317" y2="-3.7817"/> <atom id="UBIQUINONE-8-atom38" elementType="O" x2="1.2098" y2="-1.2024"/> <atom id="UBIQUINONE-8-atom39" elementType="O" x2="1.6687" y2="-4.8409"/> <atom id="UBIQUINONE-8-atom40" elementType="C" x2="38.5642" y2="-4.7094"/> <atom id="UBIQUINONE-8-atom41" elementType="C" x2="34.4251" y2="-4.7094"/> <atom id="UBIQUINONE-8-atom42" elementType="C" x2="30.2858" y2="-4.7094"/> <atom id="UBIQUINONE-8-atom43" elementType="C" x2="26.1467" y2="-4.7094"/> <atom id="UBIQUINONE-8-atom44" elementType="C" x2="22.0076" y2="-4.7094"/> <atom id="UBIQUINONE-8-atom45" elementType="C" x2="17.8684" y2="-4.7094"/> <atom id="UBIQUINONE-8-atom46" elementType="C" x2="13.7293" y2="-4.7094"/> <atom id="UBIQUINONE-8-atom47" elementType="C" x2="9.4872" y2="-4.8409"/> <atom id="UBIQUINONE-8-atom48" elementType="C" x2="5.5918" y2="-2.2635"/> <atom id="UBIQUINONE-8-atom49" elementType="C" x2="5.5918" y2="-3.7817"/> <atom id="UBIQUINONE-8-atom50" elementType="C" x2="2.985" y2="-2.2635"/> <atom id="UBIQUINONE-8-atom51" elementType="C" x2="2.985" y2="-3.7817"/> <atom id="UBIQUINONE-8-atom52" elementType="C" x2="4.3031" y2="-1.5476"/> <atom id="UBIQUINONE-8-atom53" elementType="C" x2="4.3031" y2="-4.8409"/> <bond id="UBIQUINONE-8-bond1" atomRefs="UBIQUINONE-8-atom51 UBIQUINONE-8-atom53" order="1"/> <bond id="UBIQUINONE-8-bond2" atomRefs="UBIQUINONE-8-atom50 UBIQUINONE-8-atom52" order="1"/> <bond id="UBIQUINONE-8-bond3" atomRefs="UBIQUINONE-8-atom50 UBIQUINONE-8-atom51" order="2"/> <bond id="UBIQUINONE-8-bond4" atomRefs="UBIQUINONE-8-atom49 UBIQUINONE-8-atom53" order="1"/> <bond id="UBIQUINONE-8-bond5" atomRefs="UBIQUINONE-8-atom48 UBIQUINONE-8-atom52" order="1"/> <bond id="UBIQUINONE-8-bond6" atomRefs="UBIQUINONE-8-atom48 UBIQUINONE-8-atom49" order="2"/> <bond id="UBIQUINONE-8-bond7" atomRefs="UBIQUINONE-8-atom39 UBIQUINONE-8-atom51" order="1"/> <bond id="UBIQUINONE-8-bond8" atomRefs="UBIQUINONE-8-atom38 UBIQUINONE-8-atom50" order="1"/> <bond id="UBIQUINONE-8-bond9" atomRefs="UBIQUINONE-8-atom37 UBIQUINONE-8-atom47" order="1"/> <bond id="UBIQUINONE-8-bond10" atomRefs="UBIQUINONE-8-atom36 UBIQUINONE-8-atom46" order="1"/> <bond id="UBIQUINONE-8-bond11" atomRefs="UBIQUINONE-8-atom35 UBIQUINONE-8-atom45" order="1"/> <bond 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id="UBIQUINONE-8-bond33" atomRefs="UBIQUINONE-8-atom18 UBIQUINONE-8-atom26" order="1"/> <bond id="UBIQUINONE-8-bond34" atomRefs="UBIQUINONE-8-atom17 UBIQUINONE-8-atom42" order="2"/> <bond id="UBIQUINONE-8-bond35" atomRefs="UBIQUINONE-8-atom17 UBIQUINONE-8-atom25" order="1"/> <bond id="UBIQUINONE-8-bond36" atomRefs="UBIQUINONE-8-atom16 UBIQUINONE-8-atom41" order="2"/> <bond id="UBIQUINONE-8-bond37" atomRefs="UBIQUINONE-8-atom16 UBIQUINONE-8-atom24" order="1"/> <bond id="UBIQUINONE-8-bond38" atomRefs="UBIQUINONE-8-atom15 UBIQUINONE-8-atom40" order="2"/> <bond id="UBIQUINONE-8-bond39" atomRefs="UBIQUINONE-8-atom15 UBIQUINONE-8-atom23" order="1"/> <bond id="UBIQUINONE-8-bond40" atomRefs="UBIQUINONE-8-atom14 UBIQUINONE-8-atom53" order="2"/> <bond id="UBIQUINONE-8-bond41" atomRefs="UBIQUINONE-8-atom13 UBIQUINONE-8-atom52" order="2"/> <bond id="UBIQUINONE-8-bond42" atomRefs="UBIQUINONE-8-atom12 UBIQUINONE-8-atom48" order="1"/> <bond id="UBIQUINONE-8-bond43" atomRefs="UBIQUINONE-8-atom11 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formalCharge="0"/> 727.121 CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(C(=O)C(OC)=C(OC)C(=O)C=1C)
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id="UBIQUINOL-8-bond35" atomRefs="UBIQUINOL-8-atom17 UBIQUINOL-8-atom25" order="1"/> <bond id="UBIQUINOL-8-bond36" atomRefs="UBIQUINOL-8-atom16 UBIQUINOL-8-atom41" order="2"/> <bond id="UBIQUINOL-8-bond37" atomRefs="UBIQUINOL-8-atom16 UBIQUINOL-8-atom24" order="1"/> <bond id="UBIQUINOL-8-bond38" atomRefs="UBIQUINOL-8-atom15 UBIQUINOL-8-atom40" order="2"/> <bond id="UBIQUINOL-8-bond39" atomRefs="UBIQUINOL-8-atom15 UBIQUINOL-8-atom23" order="1"/> <bond id="UBIQUINOL-8-bond40" atomRefs="UBIQUINOL-8-atom14 UBIQUINOL-8-atom53" order="1"/> <bond id="UBIQUINOL-8-bond41" atomRefs="UBIQUINOL-8-atom13 UBIQUINOL-8-atom52" order="1"/> <bond id="UBIQUINOL-8-bond42" atomRefs="UBIQUINOL-8-atom12 UBIQUINOL-8-atom48" order="1"/> <bond id="UBIQUINOL-8-bond43" atomRefs="UBIQUINOL-8-atom11 UBIQUINOL-8-atom47" order="1"/> <bond id="UBIQUINOL-8-bond44" atomRefs="UBIQUINOL-8-atom10 UBIQUINOL-8-atom46" order="1"/> <bond id="UBIQUINOL-8-bond45" atomRefs="UBIQUINOL-8-atom9 UBIQUINOL-8-atom45" order="1"/> <bond id="UBIQUINOL-8-bond46" atomRefs="UBIQUINOL-8-atom8 UBIQUINOL-8-atom44" order="1"/> <bond id="UBIQUINOL-8-bond47" atomRefs="UBIQUINOL-8-atom7 UBIQUINOL-8-atom43" order="1"/> <bond id="UBIQUINOL-8-bond48" atomRefs="UBIQUINOL-8-atom6 UBIQUINOL-8-atom42" order="1"/> <bond id="UBIQUINOL-8-bond49" atomRefs="UBIQUINOL-8-atom5 UBIQUINOL-8-atom41" order="1"/> <bond id="UBIQUINOL-8-bond50" atomRefs="UBIQUINOL-8-atom4 UBIQUINOL-8-atom40" order="1"/> <bond id="UBIQUINOL-8-bond51" atomRefs="UBIQUINOL-8-atom3 UBIQUINOL-8-atom40" order="1"/> <bond id="UBIQUINOL-8-bond52" atomRefs="UBIQUINOL-8-atom2 UBIQUINOL-8-atom39" order="1"/> <bond id="UBIQUINOL-8-bond53" atomRefs="UBIQUINOL-8-atom1 UBIQUINOL-8-atom38" order="1"/> <formula concise="C 49 H 78 O 4" formalCharge="0"/> 731.153 CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(C(O)C(OC)=C(OC)C(O)C=1C)
<atom id="HOMOGENTISATE-atom1" elementType="C" x2="-0.66951" y2="-0.78194"/> <atom id="HOMOGENTISATE-atom2" elementType="O" x2="0.99659" y2="-0.96593"/> <atom id="HOMOGENTISATE-atom3" elementType="C" x2="-0.06644" y2="-0.78194"/> <atom id="HOMOGENTISATE-atom4" elementType="O" x2="0.67973" y2="-0.36968"/> <atom id="HOMOGENTISATE-atom5" elementType="C" x2="-0.06644" y2="-0.43441"/> <atom id="HOMOGENTISATE-atom6" elementType="C" x2="0.67973" y2="-0.75128"/> <atom id="HOMOGENTISATE-atom7" elementType="C" x2="-0.66951" y2="-0.43441"/> <atom id="HOMOGENTISATE-atom8" elementType="C" x2="-0.36627" y2="-0.26065"/> <atom id="HOMOGENTISATE-atom9" elementType="C" x2="0.32879" y2="-1.0"/> <atom id="HOMOGENTISATE-atom10" elementType="O" x2="-1.0" y2="-0.97274"/> <atom id="HOMOGENTISATE-atom11" elementType="O" x2="0.26405" y2="-0.24361"/> <atom id="HOMOGENTISATE-atom12" elementType="C" x2="-0.36627" y2="-0.95571"/> <bond id="HOMOGENTISATE-bond1" atomRefs="HOMOGENTISATE-atom12 HOMOGENTISATE-atom3" order="A"/> <bond id="HOMOGENTISATE-bond2" atomRefs="HOMOGENTISATE-atom11 HOMOGENTISATE-atom5" order="1"/> <bond id="HOMOGENTISATE-bond3" atomRefs="HOMOGENTISATE-atom10 HOMOGENTISATE-atom1" order="1"/> <bond id="HOMOGENTISATE-bond4" atomRefs="HOMOGENTISATE-atom9 HOMOGENTISATE-atom3" order="1"/> <bond id="HOMOGENTISATE-bond5" atomRefs="HOMOGENTISATE-atom8 HOMOGENTISATE-atom7" order="A"/> <bond id="HOMOGENTISATE-bond6" atomRefs="HOMOGENTISATE-atom5 HOMOGENTISATE-atom8" order="A"/> <bond id="HOMOGENTISATE-bond7" atomRefs="HOMOGENTISATE-atom7 HOMOGENTISATE-atom1" order="A"/> <bond id="HOMOGENTISATE-bond8" atomRefs="HOMOGENTISATE-atom6 HOMOGENTISATE-atom9" order="1"/> <bond id="HOMOGENTISATE-bond9" atomRefs="HOMOGENTISATE-atom3 HOMOGENTISATE-atom5" order="A"/> <bond id="HOMOGENTISATE-bond10" atomRefs="HOMOGENTISATE-atom4 HOMOGENTISATE-atom6" order="2"/> <bond id="HOMOGENTISATE-bond11" atomRefs="HOMOGENTISATE-atom2 HOMOGENTISATE-atom6" order="1"/> <bond id="HOMOGENTISATE-bond12" atomRefs="HOMOGENTISATE-atom1 HOMOGENTISATE-atom12" order="A"/> <formula concise="C 8 H 8 O 4" formalCharge="0"/> 168.149 C(O)(=O)Cc1(c(O)ccc(O)c1)
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id="13-HYDROPEROXYOCTADECA-911-DIENOATE-atom11" elementType="C" x2="10.9119" y2="-1.3999"/> <atom id="13-HYDROPEROXYOCTADECA-911-DIENOATE-atom12" elementType="C" x2="8.487" y2="-4.1999"/> <atom id="13-HYDROPEROXYOCTADECA-911-DIENOATE-atom13" elementType="C" x2="7.2746" y2="-3.4999"/> <atom id="13-HYDROPEROXYOCTADECA-911-DIENOATE-atom14" elementType="C" x2="6.0621" y2="-4.1999"/> <atom id="13-HYDROPEROXYOCTADECA-911-DIENOATE-atom15" elementType="C" x2="4.8497" y2="-3.4999"/> <atom id="13-HYDROPEROXYOCTADECA-911-DIENOATE-atom16" elementType="C" x2="3.6373" y2="-4.1998"/> <atom id="13-HYDROPEROXYOCTADECA-911-DIENOATE-atom17" elementType="C" x2="12.1243" y2="-2.1"/> <atom id="13-HYDROPEROXYOCTADECA-911-DIENOATE-atom18" elementType="C" x2="2.4248" y2="-3.4998"/> <atom id="13-HYDROPEROXYOCTADECA-911-DIENOATE-atom19" elementType="C" x2="13.3368" y2="-1.4"/> <atom id="13-HYDROPEROXYOCTADECA-911-DIENOATE-atom20" elementType="O" x2="15.7617" y2="-1.4"/> <atom id="13-HYDROPEROXYOCTADECA-911-DIENOATE-atom21" elementType="C" x2="1.2124" y2="-4.1998"/> <atom id="13-HYDROPEROXYOCTADECA-911-DIENOATE-atom22" elementType="C" x2="14.5492" y2="-2.1"/> <bond id="13-HYDROPEROXYOCTADECA-911-DIENOATE-bond1" atomRefs="13-HYDROPEROXYOCTADECA-911-DIENOATE-atom22 13-HYDROPEROXYOCTADECA-911-DIENOATE-atom20" order="1"/> <bond id="13-HYDROPEROXYOCTADECA-911-DIENOATE-bond2" atomRefs="13-HYDROPEROXYOCTADECA-911-DIENOATE-atom19 13-HYDROPEROXYOCTADECA-911-DIENOATE-atom22" order="1"/> <bond id="13-HYDROPEROXYOCTADECA-911-DIENOATE-bond3" atomRefs="13-HYDROPEROXYOCTADECA-911-DIENOATE-atom18 13-HYDROPEROXYOCTADECA-911-DIENOATE-atom21" order="1"/> <bond id="13-HYDROPEROXYOCTADECA-911-DIENOATE-bond4" atomRefs="13-HYDROPEROXYOCTADECA-911-DIENOATE-atom17 13-HYDROPEROXYOCTADECA-911-DIENOATE-atom19" order="1"/> <bond id="13-HYDROPEROXYOCTADECA-911-DIENOATE-bond5" atomRefs="13-HYDROPEROXYOCTADECA-911-DIENOATE-atom16 13-HYDROPEROXYOCTADECA-911-DIENOATE-atom18" order="1"/> <bond id="13-HYDROPEROXYOCTADECA-911-DIENOATE-bond6" atomRefs="13-HYDROPEROXYOCTADECA-911-DIENOATE-atom15 13-HYDROPEROXYOCTADECA-911-DIENOATE-atom16" order="1"/> <bond id="13-HYDROPEROXYOCTADECA-911-DIENOATE-bond7" atomRefs="13-HYDROPEROXYOCTADECA-911-DIENOATE-atom14 13-HYDROPEROXYOCTADECA-911-DIENOATE-atom15" order="1"/> <bond id="13-HYDROPEROXYOCTADECA-911-DIENOATE-bond8" atomRefs="13-HYDROPEROXYOCTADECA-911-DIENOATE-atom13 13-HYDROPEROXYOCTADECA-911-DIENOATE-atom14" order="1"/> <bond id="13-HYDROPEROXYOCTADECA-911-DIENOATE-bond9" atomRefs="13-HYDROPEROXYOCTADECA-911-DIENOATE-atom12 13-HYDROPEROXYOCTADECA-911-DIENOATE-atom13" order="1"/> <bond id="13-HYDROPEROXYOCTADECA-911-DIENOATE-bond10" atomRefs="13-HYDROPEROXYOCTADECA-911-DIENOATE-atom11 13-HYDROPEROXYOCTADECA-911-DIENOATE-atom17" order="1"/> <bond id="13-HYDROPEROXYOCTADECA-911-DIENOATE-bond11" atomRefs="13-HYDROPEROXYOCTADECA-911-DIENOATE-atom10 13-HYDROPEROXYOCTADECA-911-DIENOATE-atom12" order="1"/> <bond id="13-HYDROPEROXYOCTADECA-911-DIENOATE-bond12" atomRefs="13-HYDROPEROXYOCTADECA-911-DIENOATE-atom9 13-HYDROPEROXYOCTADECA-911-DIENOATE-atom11" order="1"/> <bond id="13-HYDROPEROXYOCTADECA-911-DIENOATE-bond13" atomRefs="13-HYDROPEROXYOCTADECA-911-DIENOATE-atom8 13-HYDROPEROXYOCTADECA-911-DIENOATE-atom22" order="1"/> <bond id="13-HYDROPEROXYOCTADECA-911-DIENOATE-bond14" atomRefs="13-HYDROPEROXYOCTADECA-911-DIENOATE-atom7 13-HYDROPEROXYOCTADECA-911-DIENOATE-atom10" order="1"/> <bond id="13-HYDROPEROXYOCTADECA-911-DIENOATE-bond15" atomRefs="13-HYDROPEROXYOCTADECA-911-DIENOATE-atom6 13-HYDROPEROXYOCTADECA-911-DIENOATE-atom8" order="2"/> <bond id="13-HYDROPEROXYOCTADECA-911-DIENOATE-bond16" atomRefs="13-HYDROPEROXYOCTADECA-911-DIENOATE-atom5 13-HYDROPEROXYOCTADECA-911-DIENOATE-atom7" order="2"/> <bond id="13-HYDROPEROXYOCTADECA-911-DIENOATE-bond17" atomRefs="13-HYDROPEROXYOCTADECA-911-DIENOATE-atom5 13-HYDROPEROXYOCTADECA-911-DIENOATE-atom6" order="1"/> <bond id="13-HYDROPEROXYOCTADECA-911-DIENOATE-bond18" atomRefs="13-HYDROPEROXYOCTADECA-911-DIENOATE-atom4 13-HYDROPEROXYOCTADECA-911-DIENOATE-atom21" order="1"/> <bond id="13-HYDROPEROXYOCTADECA-911-DIENOATE-bond19" atomRefs="13-HYDROPEROXYOCTADECA-911-DIENOATE-atom3 13-HYDROPEROXYOCTADECA-911-DIENOATE-atom20" order="1"/> <bond id="13-HYDROPEROXYOCTADECA-911-DIENOATE-bond20" atomRefs="13-HYDROPEROXYOCTADECA-911-DIENOATE-atom2 13-HYDROPEROXYOCTADECA-911-DIENOATE-atom21" order="2"/> <bond id="13-HYDROPEROXYOCTADECA-911-DIENOATE-bond21" atomRefs="13-HYDROPEROXYOCTADECA-911-DIENOATE-atom1 13-HYDROPEROXYOCTADECA-911-DIENOATE-atom9" order="1"/> <formula concise="C 18 H 32 O 4" formalCharge="0"/> 312.448 CCCCCC(OO)C=CC=CCCCCCCCC(O)=O
<atom id="LINOLENIC_ACID-atom1" elementType="C" x2="-0.16502" y2="-0.33003"/> <atom id="LINOLENIC_ACID-atom2" elementType="O" x2="0.70957" y2="0.46205"/> <atom id="LINOLENIC_ACID-atom3" elementType="C" x2="-1.0" y2="-0.80528"/> <atom id="LINOLENIC_ACID-atom4" elementType="C" x2="0.70957" y2="0.13201"/> <atom id="LINOLENIC_ACID-atom5" elementType="C" x2="-0.71287" y2="-0.33003"/> <atom id="LINOLENIC_ACID-atom6" elementType="C" x2="0.12871" y2="-0.50165"/> <atom id="LINOLENIC_ACID-atom7" elementType="O" x2="0.43564" y2="0.31683"/> <atom id="LINOLENIC_ACID-atom8" elementType="C" x2="0.12871" y2="-0.80528"/> <atom id="LINOLENIC_ACID-atom9" elementType="C" x2="-0.16502" y2="-0.0198"/> <atom id="LINOLENIC_ACID-atom10" elementType="C" x2="0.41584" y2="-0.35974"/> <atom id="LINOLENIC_ACID-atom11" elementType="C" x2="-1.0" y2="-0.50165"/> <atom id="LINOLENIC_ACID-atom12" elementType="C" x2="0.41584" y2="-0.0198"/> <atom id="LINOLENIC_ACID-atom13" elementType="C" x2="-0.16502" y2="-1.0"/> <atom id="LINOLENIC_ACID-atom14" elementType="C" x2="0.9967" y2="-0.0495"/> <atom id="LINOLENIC_ACID-atom15" elementType="C" x2="-0.43564" y2="-0.50165"/> <atom id="LINOLENIC_ACID-atom16" elementType="C" x2="-0.43564" y2="-0.84488"/> <atom id="LINOLENIC_ACID-atom17" elementType="C" x2="0.12871" y2="0.12211"/> <atom id="LINOLENIC_ACID-atom18" elementType="C" x2="0.70957" y2="-0.50165"/> <atom id="LINOLENIC_ACID-atom19" elementType="C" x2="0.9967" y2="-0.35314"/> <atom id="LINOLENIC_ACID-atom20" elementType="C" x2="-0.72607" y2="-0.9901"/> <bond id="LINOLENIC_ACID-bond1" atomRefs="LINOLENIC_ACID-atom20 LINOLENIC_ACID-atom3" order="1"/> <bond id="LINOLENIC_ACID-bond2" atomRefs="LINOLENIC_ACID-atom19 LINOLENIC_ACID-atom14" order="1"/> <bond id="LINOLENIC_ACID-bond3" atomRefs="LINOLENIC_ACID-atom18 LINOLENIC_ACID-atom19" order="1"/> <bond id="LINOLENIC_ACID-bond4" atomRefs="LINOLENIC_ACID-atom17 LINOLENIC_ACID-atom12" order="1"/> <bond id="LINOLENIC_ACID-bond5" atomRefs="LINOLENIC_ACID-atom16 LINOLENIC_ACID-atom13" order="2"/> <bond id="LINOLENIC_ACID-bond6" atomRefs="LINOLENIC_ACID-atom15 LINOLENIC_ACID-atom16" order="1"/> <bond id="LINOLENIC_ACID-bond7" atomRefs="LINOLENIC_ACID-atom14 LINOLENIC_ACID-atom4" order="1"/> <bond id="LINOLENIC_ACID-bond8" atomRefs="LINOLENIC_ACID-atom13 LINOLENIC_ACID-atom8" order="1"/> <bond id="LINOLENIC_ACID-bond9" atomRefs="LINOLENIC_ACID-atom12 LINOLENIC_ACID-atom10" order="1"/> <bond id="LINOLENIC_ACID-bond10" atomRefs="LINOLENIC_ACID-atom11 LINOLENIC_ACID-atom5" order="2"/> <bond id="LINOLENIC_ACID-bond11" atomRefs="LINOLENIC_ACID-atom10 LINOLENIC_ACID-atom18" order="1"/> <bond id="LINOLENIC_ACID-bond12" atomRefs="LINOLENIC_ACID-atom9 LINOLENIC_ACID-atom17" order="1"/> <bond id="LINOLENIC_ACID-bond13" atomRefs="LINOLENIC_ACID-atom8 LINOLENIC_ACID-atom6" order="1"/> <bond id="LINOLENIC_ACID-bond14" atomRefs="LINOLENIC_ACID-atom7 LINOLENIC_ACID-atom4" order="2"/> <bond id="LINOLENIC_ACID-bond15" atomRefs="LINOLENIC_ACID-atom6 LINOLENIC_ACID-atom1" order="2"/> <bond id="LINOLENIC_ACID-bond16" atomRefs="LINOLENIC_ACID-atom5 LINOLENIC_ACID-atom15" order="1"/> <bond id="LINOLENIC_ACID-bond17" atomRefs="LINOLENIC_ACID-atom3 LINOLENIC_ACID-atom11" order="1"/> <bond id="LINOLENIC_ACID-bond18" atomRefs="LINOLENIC_ACID-atom2 LINOLENIC_ACID-atom4" order="1"/> <bond id="LINOLENIC_ACID-bond19" atomRefs="LINOLENIC_ACID-atom1 LINOLENIC_ACID-atom9" order="1"/> <formula concise="C 18 H 30 O 2" formalCharge="0"/> 278.434 C(O)(=O)CCCCCCCC=CCC=CCC=CCC
13S-hydroperoxy-9(Z),11(E),15(Z)-octadecatrienoic acid
<atom id="NARINGENIN-CMPD-atom1" elementType="H" x2="6.0622" y2="-4.9"/> <atom id="NARINGENIN-CMPD-atom2" elementType="O" x2="4.8497" y2="0.0"/> <atom id="NARINGENIN-CMPD-atom3" elementType="O" x2="10.9119" y2="-6.3"/> <atom id="NARINGENIN-CMPD-atom4" elementType="O" x2="0.0" y2="-4.2"/> <atom id="NARINGENIN-CMPD-atom5" elementType="O" x2="2.4249" y2="0.0"/> <atom id="NARINGENIN-CMPD-atom6" elementType="C" x2="9.6995" y2="-4.2"/> <atom id="NARINGENIN-CMPD-atom7" elementType="C" x2="8.487" y2="-6.3"/> <atom id="NARINGENIN-CMPD-atom8" elementType="C" x2="8.487" y2="-3.5"/> <atom id="NARINGENIN-CMPD-atom9" elementType="C" x2="7.2746" y2="-5.6"/> <atom id="NARINGENIN-CMPD-atom10" elementType="C" x2="1.2124" y2="-2.1"/> <atom id="NARINGENIN-CMPD-atom11" elementType="C" x2="2.4249" y2="-4.2"/> <atom id="NARINGENIN-CMPD-atom12" elementType="C" x2="6.0622" y2="-2.1"/> <atom id="NARINGENIN-CMPD-atom13" elementType="O" x2="4.8497" y2="-4.2"/> <atom id="NARINGENIN-CMPD-atom14" elementType="C" x2="4.8497" y2="-1.4"/> <atom id="NARINGENIN-CMPD-atom15" elementType="C" x2="9.6995" y2="-5.6"/> <atom id="NARINGENIN-CMPD-atom16" elementType="C" x2="1.2124" y2="-3.5"/> <atom id="NARINGENIN-CMPD-atom17" elementType="C" x2="2.4249" y2="-1.4"/> <atom id="NARINGENIN-CMPD-atom18" elementType="C" x2="7.2746" y2="-4.2"/> <atom id="NARINGENIN-CMPD-atom19" elementType="C" x2="3.6373" y2="-3.5"/> <atom id="NARINGENIN-CMPD-atom20" elementType="C" x2="3.6373" y2="-2.1"/> <atom id="NARINGENIN-CMPD-atom21" elementType="C" x2="6.0622" y2="-3.5"/> <bond id="NARINGENIN-CMPD-bond1" atomRefs="NARINGENIN-CMPD-atom19 NARINGENIN-CMPD-atom20" order="A"/> <bond id="NARINGENIN-CMPD-bond2" atomRefs="NARINGENIN-CMPD-atom18 NARINGENIN-CMPD-atom21" order="1"/> <bond id="NARINGENIN-CMPD-bond3" atomRefs="NARINGENIN-CMPD-atom20 NARINGENIN-CMPD-atom17" order="A"/> <bond id="NARINGENIN-CMPD-bond4" atomRefs="NARINGENIN-CMPD-atom14 NARINGENIN-CMPD-atom20" order="1"/> <bond id="NARINGENIN-CMPD-bond5" atomRefs="NARINGENIN-CMPD-atom13 NARINGENIN-CMPD-atom21" order="1"/> <bond id="NARINGENIN-CMPD-bond6" atomRefs="NARINGENIN-CMPD-atom13 NARINGENIN-CMPD-atom19" order="1"/> <bond id="NARINGENIN-CMPD-bond7" atomRefs="NARINGENIN-CMPD-atom12 NARINGENIN-CMPD-atom21" order="1"/> <bond id="NARINGENIN-CMPD-bond8" atomRefs="NARINGENIN-CMPD-atom12 NARINGENIN-CMPD-atom14" order="1"/> <bond id="NARINGENIN-CMPD-bond9" atomRefs="NARINGENIN-CMPD-atom11 NARINGENIN-CMPD-atom19" order="A"/> <bond id="NARINGENIN-CMPD-bond10" atomRefs="NARINGENIN-CMPD-atom16 NARINGENIN-CMPD-atom11" order="A"/> <bond id="NARINGENIN-CMPD-bond11" atomRefs="NARINGENIN-CMPD-atom17 NARINGENIN-CMPD-atom10" order="A"/> <bond id="NARINGENIN-CMPD-bond12" atomRefs="NARINGENIN-CMPD-atom10 NARINGENIN-CMPD-atom16" order="A"/> <bond id="NARINGENIN-CMPD-bond13" atomRefs="NARINGENIN-CMPD-atom18 NARINGENIN-CMPD-atom9" order="A"/> <bond id="NARINGENIN-CMPD-bond14" atomRefs="NARINGENIN-CMPD-atom8 NARINGENIN-CMPD-atom18" order="A"/> <bond id="NARINGENIN-CMPD-bond15" atomRefs="NARINGENIN-CMPD-atom7 NARINGENIN-CMPD-atom15" order="A"/> <bond id="NARINGENIN-CMPD-bond16" atomRefs="NARINGENIN-CMPD-atom9 NARINGENIN-CMPD-atom7" order="A"/> <bond id="NARINGENIN-CMPD-bond17" atomRefs="NARINGENIN-CMPD-atom15 NARINGENIN-CMPD-atom6" order="A"/> <bond id="NARINGENIN-CMPD-bond18" atomRefs="NARINGENIN-CMPD-atom6 NARINGENIN-CMPD-atom8" order="A"/> <bond id="NARINGENIN-CMPD-bond19" atomRefs="NARINGENIN-CMPD-atom5 NARINGENIN-CMPD-atom17" order="1"/> <bond id="NARINGENIN-CMPD-bond20" atomRefs="NARINGENIN-CMPD-atom4 NARINGENIN-CMPD-atom16" order="1"/> <bond id="NARINGENIN-CMPD-bond21" atomRefs="NARINGENIN-CMPD-atom3 NARINGENIN-CMPD-atom15" order="1"/> <bond id="NARINGENIN-CMPD-bond22" atomRefs="NARINGENIN-CMPD-atom2 NARINGENIN-CMPD-atom14" order="2"/> <bond id="NARINGENIN-CMPD-bond23" atomRefs="NARINGENIN-CMPD-atom21 NARINGENIN-CMPD-atom1" order="1"/> <formula concise="C 15 H 12 O 5" formalCharge="0"/> 272.257 c1(cc(ccc1O)[CH]2(Oc3(c(C(C2)=O)c(O)cc(c3)O)))
<atom id="SUC-atom1" elementType="O" x2="2.8552" y2="-2.059"/> <atom id="SUC-atom2" elementType="O" x2="0.7199" y2="0.0"/> <atom id="SUC-atom3" elementType="O" x2="3.5796" y2="-0.8337"/> <atom id="SUC-atom4" elementType="O" x2="0.0" y2="-1.232"/> <atom id="SUC-atom5" elementType="C" x2="2.1453" y2="-0.8269"/> <atom id="SUC-atom6" elementType="C" x2="1.4287" y2="-1.2377"/> <atom id="SUC-atom7" elementType="C" x2="2.8586" y2="-1.2376"/> <atom id="SUC-atom8" elementType="C" x2="0.7165" y2="-0.8213"/> <bond id="SUC-bond1" atomRefs="SUC-atom1 SUC-atom7" order="2"/> <bond id="SUC-bond2" atomRefs="SUC-atom2 SUC-atom8" order="2"/> <bond id="SUC-bond3" atomRefs="SUC-atom3 SUC-atom7" order="1"/> <bond id="SUC-bond4" atomRefs="SUC-atom4 SUC-atom8" order="1"/> <bond id="SUC-bond5" atomRefs="SUC-atom5 SUC-atom6" order="1"/> <bond id="SUC-bond6" atomRefs="SUC-atom5 SUC-atom7" order="1"/> <bond id="SUC-bond7" atomRefs="SUC-atom6 SUC-atom8" order="1"/> <formula concise="C 4 H 6 O 4" formalCharge="0"/> 118.089 C(O)(=O)CCC(=O)O
<atom id="CPD1F-95-atom1" elementType="C" x2="-3.5313" y2="-1.825"/> <atom id="CPD1F-95-atom2" elementType="C" x2="-4.2457" y2="-1.4125"/> <atom id="CPD1F-95-atom3" elementType="C" x2="-4.2457" y2="-0.5875"/> <atom id="CPD1F-95-atom4" elementType="C" x2="-3.5313" y2="-0.175"/> <atom id="CPD1F-95-atom5" elementType="C" x2="-4.2457" y2="0.2375"/> <atom id="CPD1F-95-atom6" elementType="C" x2="-2.8168" y2="-2.2375"/> <atom id="CPD1F-95-atom7" elementType="H" x2="-2.8168" y2="0.2375"/> <atom id="CPD1F-95-atom8" elementType="H" x2="-2.3677" y2="-0.9138"/> <atom id="CPD1F-95-atom9" elementType="C" x2="-2.0322" y2="-1.6675"/> <atom id="CPD1F-95-atom10" elementType="C" x2="-0.8762" y2="-2.5074"/> <atom id="CPD1F-95-atom11" elementType="C" x2="-1.6966" y2="-2.4211"/> <atom id="CPD1F-95-atom12" elementType="C" x2="-0.7268" y2="-1.0863"/> <atom id="CPD1F-95-atom13" elementType="C" x2="-0.3913" y2="-1.84"/> <atom id="CPD1F-95-atom14" elementType="C" x2="0.0937" y2="-1.1725"/> <atom id="CPD1F-95-atom15" elementType="C" x2="-1.5473" y2="-1.0"/> <atom id="CPD1F-95-atom16" elementType="C" x2="-1.0623" y2="-0.3326"/> <atom id="CPD1F-95-atom17" elementType="C" x2="0.9086" y2="-1.0436"/> <atom id="CPD1F-95-atom18" elementType="O" x2="-3.5312" y2="1.2539"/> <atom id="CPD1F-95-atom19" elementType="C" x2="-2.8168" y2="-1.4125"/> <atom id="CPD1F-95-atom20" elementType="C" x2="-2.8168" y2="-0.5875"/> <atom id="CPD1F-95-atom21" elementType="C" x2="-2.0322" y2="-0.3326"/> <atom id="CPD1F-95-atom22" elementType="O" x2="-2.3292" y2="1.0651"/> <atom id="CPD1F-95-atom23" elementType="C" x2="-3.1187" y2="0.5394"/> <atom id="CPD1F-95-atom24" elementType="O" x2="-2.2937" y2="0.5394"/> <atom id="CPD1F-95-atom25" elementType="C" x2="-1.7772" y2="0.452"/> <atom id="CPD1F-95-atom26" elementType="O" x2="-0.9702" y2="0.6235"/> <bond id="CPD1F-95-bond1" atomRefs="CPD1F-95-atom21 CPD1F-95-atom25" order="1"/> <bond id="CPD1F-95-bond2" atomRefs="CPD1F-95-atom25 CPD1F-95-atom26" order="2"/> <bond id="CPD1F-95-bond3" atomRefs="CPD1F-95-atom22 CPD1F-95-atom25" order="1"/> <bond id="CPD1F-95-bond4" atomRefs="CPD1F-95-atom4 CPD1F-95-atom23" order="1"/> <bond id="CPD1F-95-bond5" atomRefs="CPD1F-95-atom23 CPD1F-95-atom24" order="2"/> <bond id="CPD1F-95-bond6" atomRefs="CPD1F-95-atom18 CPD1F-95-atom23" order="1"/> <bond id="CPD1F-95-bond7" atomRefs="CPD1F-95-atom9 CPD1F-95-atom15" order="1"/> <bond id="CPD1F-95-bond8" atomRefs="CPD1F-95-atom19 CPD1F-95-atom20" order="1"/> <bond id="CPD1F-95-bond9" atomRefs="CPD1F-95-atom21 CPD1F-95-atom15" order="1"/> <bond id="CPD1F-95-bond10" atomRefs="CPD1F-95-atom20 CPD1F-95-atom21" order="1"/> <bond id="CPD1F-95-bond11" atomRefs="CPD1F-95-atom9 CPD1F-95-atom19" order="1"/> <bond id="CPD1F-95-bond12" atomRefs="CPD1F-95-atom14 CPD1F-95-atom17" order="2"/> <bond id="CPD1F-95-bond13" atomRefs="CPD1F-95-atom14 CPD1F-95-atom16" order="1"/> <bond id="CPD1F-95-bond14" atomRefs="CPD1F-95-atom15 CPD1F-95-atom16" order="1"/> <bond id="CPD1F-95-bond15" atomRefs="CPD1F-95-atom13 CPD1F-95-atom14" order="1"/> <bond id="CPD1F-95-bond16" atomRefs="CPD1F-95-atom12 CPD1F-95-atom13" order="1"/> <bond id="CPD1F-95-bond17" atomRefs="CPD1F-95-atom10 CPD1F-95-atom13" order="1"/> <bond id="CPD1F-95-bond18" atomRefs="CPD1F-95-atom10 CPD1F-95-atom11" order="1"/> <bond id="CPD1F-95-bond19" atomRefs="CPD1F-95-atom15 CPD1F-95-atom12" order="1"/> <bond id="CPD1F-95-bond20" atomRefs="CPD1F-95-atom11 CPD1F-95-atom9" order="1"/> <bond id="CPD1F-95-bond21" atomRefs="CPD1F-95-atom19 CPD1F-95-atom6" order="1"/> <bond id="CPD1F-95-bond22" atomRefs="CPD1F-95-atom9 CPD1F-95-atom8" order="1"/> <bond id="CPD1F-95-bond23" atomRefs="CPD1F-95-atom20 CPD1F-95-atom7" order="1"/> <bond id="CPD1F-95-bond24" atomRefs="CPD1F-95-atom4 CPD1F-95-atom5" order="1"/> <bond id="CPD1F-95-bond25" atomRefs="CPD1F-95-atom4 CPD1F-95-atom20" order="1"/> <bond id="CPD1F-95-bond26" atomRefs="CPD1F-95-atom3 CPD1F-95-atom4" order="1"/> <bond id="CPD1F-95-bond27" atomRefs="CPD1F-95-atom2 CPD1F-95-atom3" order="1"/> <bond id="CPD1F-95-bond28" atomRefs="CPD1F-95-atom1 CPD1F-95-atom19" order="1"/> <bond id="CPD1F-95-bond29" atomRefs="CPD1F-95-atom1 CPD1F-95-atom2" order="1"/> <formula concise="C 20 H 28 O 4" formalCharge="0"/> 332.439 CC1([CH]4(C(CCC1)(C)[CH]3(C2(CC(C(=C)C2)CC3)(C4C(=O)O))))(C(=O)O)
<atom id="CPD1F-96-atom1" elementType="C" x2="-3.5313" y2="-1.825"/> <atom id="CPD1F-96-atom2" elementType="C" x2="-4.2457" y2="-1.4125"/> <atom id="CPD1F-96-atom3" elementType="C" x2="-4.2457" y2="-0.5875"/> <atom id="CPD1F-96-atom4" elementType="C" x2="-3.5313" y2="-0.175"/> <atom id="CPD1F-96-atom5" elementType="C" x2="-4.2457" y2="0.2375"/> <atom id="CPD1F-96-atom6" elementType="H" x2="-2.8168" y2="0.2375"/> <atom id="CPD1F-96-atom7" elementType="H" x2="-2.3677" y2="-0.9138"/> <atom id="CPD1F-96-atom8" elementType="C" x2="-2.0322" y2="-1.6675"/> <atom id="CPD1F-96-atom9" elementType="C" x2="-0.8762" y2="-2.5074"/> <atom id="CPD1F-96-atom10" elementType="C" x2="-1.6966" y2="-2.4211"/> <atom id="CPD1F-96-atom11" elementType="C" x2="-0.7268" y2="-1.0863"/> <atom id="CPD1F-96-atom12" elementType="C" x2="-0.3913" y2="-1.84"/> <atom id="CPD1F-96-atom13" elementType="C" x2="0.0937" y2="-1.1725"/> <atom id="CPD1F-96-atom14" elementType="C" x2="-1.5473" y2="-1.0"/> <atom id="CPD1F-96-atom15" elementType="C" x2="-1.0623" y2="-0.3326"/> <atom id="CPD1F-96-atom16" elementType="C" x2="0.9086" y2="-1.0436"/> <atom id="CPD1F-96-atom17" elementType="O" x2="-3.5312" y2="1.2539"/> <atom id="CPD1F-96-atom18" elementType="C" x2="-2.8168" y2="-1.4125"/> <atom id="CPD1F-96-atom19" elementType="C" x2="-2.8168" y2="-0.5875"/> <atom id="CPD1F-96-atom20" elementType="C" x2="-2.0322" y2="-0.3326"/> <atom id="CPD1F-96-atom21" elementType="O" x2="-2.3292" y2="1.0651"/> <atom id="CPD1F-96-atom22" elementType="O" x2="0.2762" y2="-2.3249"/> <atom id="CPD1F-96-atom23" elementType="C" x2="-2.8168" y2="-2.2375"/> <atom id="CPD1F-96-atom24" elementType="O" x2="-3.5313" y2="-2.65"/> <atom id="CPD1F-96-atom25" elementType="C" x2="-3.1187" y2="0.5394"/> <atom id="CPD1F-96-atom26" elementType="O" x2="-2.2937" y2="0.5394"/> <atom id="CPD1F-96-atom27" elementType="C" x2="-1.7772" y2="0.452"/> <atom id="CPD1F-96-atom28" elementType="O" x2="-0.9702" y2="0.6235"/> <bond id="CPD1F-96-bond1" atomRefs="CPD1F-96-atom20 CPD1F-96-atom27" order="1"/> <bond id="CPD1F-96-bond2" atomRefs="CPD1F-96-atom27 CPD1F-96-atom28" order="2"/> <bond id="CPD1F-96-bond3" atomRefs="CPD1F-96-atom21 CPD1F-96-atom27" order="1"/> <bond id="CPD1F-96-bond4" atomRefs="CPD1F-96-atom4 CPD1F-96-atom25" order="1"/> <bond id="CPD1F-96-bond5" atomRefs="CPD1F-96-atom25 CPD1F-96-atom26" order="2"/> <bond id="CPD1F-96-bond6" atomRefs="CPD1F-96-atom17 CPD1F-96-atom25" order="1"/> <bond id="CPD1F-96-bond7" atomRefs="CPD1F-96-atom23 CPD1F-96-atom24" order="2"/> <bond id="CPD1F-96-bond8" atomRefs="CPD1F-96-atom12 CPD1F-96-atom22" order="1"/> <bond id="CPD1F-96-bond9" atomRefs="CPD1F-96-atom8 CPD1F-96-atom14" order="1"/> <bond id="CPD1F-96-bond10" atomRefs="CPD1F-96-atom18 CPD1F-96-atom19" order="1"/> <bond id="CPD1F-96-bond11" atomRefs="CPD1F-96-atom20 CPD1F-96-atom14" order="1"/> <bond id="CPD1F-96-bond12" atomRefs="CPD1F-96-atom19 CPD1F-96-atom20" order="1"/> <bond id="CPD1F-96-bond13" atomRefs="CPD1F-96-atom8 CPD1F-96-atom18" order="1"/> <bond id="CPD1F-96-bond14" atomRefs="CPD1F-96-atom13 CPD1F-96-atom16" order="2"/> <bond id="CPD1F-96-bond15" atomRefs="CPD1F-96-atom13 CPD1F-96-atom15" order="1"/> <bond id="CPD1F-96-bond16" atomRefs="CPD1F-96-atom14 CPD1F-96-atom15" order="1"/> <bond id="CPD1F-96-bond17" atomRefs="CPD1F-96-atom12 CPD1F-96-atom13" order="1"/> <bond id="CPD1F-96-bond18" atomRefs="CPD1F-96-atom11 CPD1F-96-atom12" order="1"/> <bond id="CPD1F-96-bond19" atomRefs="CPD1F-96-atom9 CPD1F-96-atom12" order="1"/> <bond id="CPD1F-96-bond20" atomRefs="CPD1F-96-atom9 CPD1F-96-atom10" order="1"/> <bond id="CPD1F-96-bond21" atomRefs="CPD1F-96-atom14 CPD1F-96-atom11" order="1"/> <bond id="CPD1F-96-bond22" atomRefs="CPD1F-96-atom10 CPD1F-96-atom8" order="1"/> <bond id="CPD1F-96-bond23" atomRefs="CPD1F-96-atom18 CPD1F-96-atom23" order="1"/> <bond id="CPD1F-96-bond24" atomRefs="CPD1F-96-atom8 CPD1F-96-atom7" order="1"/> <bond id="CPD1F-96-bond25" atomRefs="CPD1F-96-atom19 CPD1F-96-atom6" order="1"/> <bond id="CPD1F-96-bond26" atomRefs="CPD1F-96-atom4 CPD1F-96-atom5" order="1"/> <bond id="CPD1F-96-bond27" atomRefs="CPD1F-96-atom4 CPD1F-96-atom19" order="1"/> <bond id="CPD1F-96-bond28" atomRefs="CPD1F-96-atom3 CPD1F-96-atom4" order="1"/> <bond id="CPD1F-96-bond29" atomRefs="CPD1F-96-atom2 CPD1F-96-atom3" order="1"/> <bond id="CPD1F-96-bond30" atomRefs="CPD1F-96-atom1 CPD1F-96-atom18" order="1"/> <bond id="CPD1F-96-bond31" atomRefs="CPD1F-96-atom1 CPD1F-96-atom2" order="1"/> <formula concise="C 20 H 26 O 6" formalCharge="0"/> 362.422 CC1([CH]4(C(CCC1)(C=O)[CH]3(C2(CC(C(=C)C2)(O)CC3)(C4C(=O)O))))(C(=O)O)
Inactive GA (all GA's that carry a carboxyl group at C20 are biologically inactive)
<atom id="CPD1F-86-atom1" elementType="C" x2="-3.5313" y2="-1.825"/> <atom id="CPD1F-86-atom2" elementType="C" x2="-4.2457" y2="-1.4125"/> <atom id="CPD1F-86-atom3" elementType="C" x2="-4.2457" y2="-0.5875"/> <atom id="CPD1F-86-atom4" elementType="C" x2="-3.5313" y2="-0.175"/> <atom id="CPD1F-86-atom5" elementType="C" x2="-4.2457" y2="0.2375"/> <atom id="CPD1F-86-atom6" elementType="H" x2="-2.8168" y2="0.2375"/> <atom id="CPD1F-86-atom7" elementType="H" x2="-2.3677" y2="-0.9138"/> <atom id="CPD1F-86-atom8" elementType="C" x2="-2.0322" y2="-1.6675"/> <atom id="CPD1F-86-atom9" elementType="C" x2="-0.8762" y2="-2.5074"/> <atom id="CPD1F-86-atom10" elementType="C" x2="-1.6966" y2="-2.4211"/> <atom id="CPD1F-86-atom11" elementType="C" x2="-0.7268" y2="-1.0863"/> <atom id="CPD1F-86-atom12" elementType="C" x2="-0.3913" y2="-1.84"/> <atom id="CPD1F-86-atom13" elementType="C" x2="0.0937" y2="-1.1725"/> <atom id="CPD1F-86-atom14" elementType="C" x2="-1.5473" y2="-1.0"/> <atom id="CPD1F-86-atom15" elementType="C" x2="-1.0623" y2="-0.3326"/> <atom id="CPD1F-86-atom16" elementType="C" x2="0.9086" y2="-1.0436"/> <atom id="CPD1F-86-atom17" elementType="O" x2="-3.5312" y2="1.2539"/> <atom id="CPD1F-86-atom18" elementType="C" x2="-2.8168" y2="-1.4125"/> <atom id="CPD1F-86-atom19" elementType="C" x2="-2.8168" y2="-0.5875"/> <atom id="CPD1F-86-atom20" elementType="C" x2="-2.0322" y2="-0.3326"/> <atom id="CPD1F-86-atom21" elementType="O" x2="-2.3292" y2="1.0651"/> <atom id="CPD1F-86-atom22" elementType="O" x2="0.2762" y2="-2.3249"/> <atom id="CPD1F-86-atom23" elementType="O" x2="-2.1023" y2="-2.65"/> <atom id="CPD1F-86-atom24" elementType="C" x2="-3.1187" y2="0.5394"/> <atom id="CPD1F-86-atom25" elementType="O" x2="-2.2937" y2="0.5394"/> <atom id="CPD1F-86-atom26" elementType="C" x2="-1.7772" y2="0.452"/> <atom id="CPD1F-86-atom27" elementType="O" x2="-0.9702" y2="0.6235"/> <atom id="CPD1F-86-atom28" elementType="C" x2="-2.8168" y2="-2.2375"/> <atom id="CPD1F-86-atom29" elementType="O" x2="-3.5313" y2="-2.65"/> <bond id="CPD1F-86-bond1" atomRefs="CPD1F-86-atom18 CPD1F-86-atom28" order="1"/> <bond id="CPD1F-86-bond2" atomRefs="CPD1F-86-atom28 CPD1F-86-atom29" order="2"/> <bond id="CPD1F-86-bond3" atomRefs="CPD1F-86-atom23 CPD1F-86-atom28" order="1"/> <bond id="CPD1F-86-bond4" atomRefs="CPD1F-86-atom20 CPD1F-86-atom26" order="1"/> <bond id="CPD1F-86-bond5" atomRefs="CPD1F-86-atom26 CPD1F-86-atom27" order="2"/> <bond id="CPD1F-86-bond6" atomRefs="CPD1F-86-atom21 CPD1F-86-atom26" order="1"/> <bond id="CPD1F-86-bond7" atomRefs="CPD1F-86-atom4 CPD1F-86-atom24" order="1"/> <bond id="CPD1F-86-bond8" atomRefs="CPD1F-86-atom24 CPD1F-86-atom25" order="2"/> <bond id="CPD1F-86-bond9" atomRefs="CPD1F-86-atom17 CPD1F-86-atom24" order="1"/> <bond id="CPD1F-86-bond10" atomRefs="CPD1F-86-atom12 CPD1F-86-atom22" order="1"/> <bond id="CPD1F-86-bond11" atomRefs="CPD1F-86-atom8 CPD1F-86-atom14" order="1"/> <bond id="CPD1F-86-bond12" atomRefs="CPD1F-86-atom18 CPD1F-86-atom19" order="1"/> <bond id="CPD1F-86-bond13" atomRefs="CPD1F-86-atom20 CPD1F-86-atom14" order="1"/> <bond id="CPD1F-86-bond14" atomRefs="CPD1F-86-atom19 CPD1F-86-atom20" order="1"/> <bond id="CPD1F-86-bond15" atomRefs="CPD1F-86-atom8 CPD1F-86-atom18" order="1"/> <bond id="CPD1F-86-bond16" atomRefs="CPD1F-86-atom13 CPD1F-86-atom16" order="2"/> <bond id="CPD1F-86-bond17" atomRefs="CPD1F-86-atom13 CPD1F-86-atom15" order="1"/> <bond id="CPD1F-86-bond18" atomRefs="CPD1F-86-atom14 CPD1F-86-atom15" order="1"/> <bond id="CPD1F-86-bond19" atomRefs="CPD1F-86-atom12 CPD1F-86-atom13" order="1"/> <bond id="CPD1F-86-bond20" atomRefs="CPD1F-86-atom11 CPD1F-86-atom12" order="1"/> <bond id="CPD1F-86-bond21" atomRefs="CPD1F-86-atom9 CPD1F-86-atom12" order="1"/> <bond id="CPD1F-86-bond22" atomRefs="CPD1F-86-atom9 CPD1F-86-atom10" order="1"/> <bond id="CPD1F-86-bond23" atomRefs="CPD1F-86-atom14 CPD1F-86-atom11" order="1"/> <bond id="CPD1F-86-bond24" atomRefs="CPD1F-86-atom10 CPD1F-86-atom8" order="1"/> <bond id="CPD1F-86-bond25" atomRefs="CPD1F-86-atom8 CPD1F-86-atom7" order="1"/> <bond id="CPD1F-86-bond26" atomRefs="CPD1F-86-atom19 CPD1F-86-atom6" order="1"/> <bond id="CPD1F-86-bond27" atomRefs="CPD1F-86-atom4 CPD1F-86-atom5" order="1"/> <bond id="CPD1F-86-bond28" atomRefs="CPD1F-86-atom4 CPD1F-86-atom19" order="1"/> <bond id="CPD1F-86-bond29" atomRefs="CPD1F-86-atom3 CPD1F-86-atom4" order="1"/> <bond id="CPD1F-86-bond30" atomRefs="CPD1F-86-atom2 CPD1F-86-atom3" order="1"/> <bond id="CPD1F-86-bond31" atomRefs="CPD1F-86-atom1 CPD1F-86-atom18" order="1"/> <bond id="CPD1F-86-bond32" atomRefs="CPD1F-86-atom1 CPD1F-86-atom2" order="1"/> <formula concise="C 20 H 26 O 7" formalCharge="0"/> 378.421 CC1([CH]4(C(CCC1)(C(=O)O)[CH]3(C2(CC(C(=C)C2)(O)CC3)(C4C(=O)O))))(C(=O)O)
<atom id="CPD1F-97-atom1" elementType="C" x2="-3.5313" y2="-1.825"/> <atom id="CPD1F-97-atom2" elementType="C" x2="-4.2457" y2="-1.4125"/> <atom id="CPD1F-97-atom3" elementType="C" x2="-4.2457" y2="-0.5875"/> <atom id="CPD1F-97-atom4" elementType="C" x2="-3.5313" y2="-0.175"/> <atom id="CPD1F-97-atom5" elementType="C" x2="-4.2457" y2="0.2375"/> <atom id="CPD1F-97-atom6" elementType="H" x2="-2.8168" y2="0.2375"/> <atom id="CPD1F-97-atom7" elementType="H" x2="-2.3677" y2="-0.9138"/> <atom id="CPD1F-97-atom8" elementType="C" x2="-2.0322" y2="-1.6675"/> <atom id="CPD1F-97-atom9" elementType="C" x2="-0.8762" y2="-2.5074"/> <atom id="CPD1F-97-atom10" elementType="C" x2="-1.6966" y2="-2.4211"/> <atom id="CPD1F-97-atom11" elementType="C" x2="-0.7268" y2="-1.0863"/> <atom id="CPD1F-97-atom12" elementType="C" x2="-0.3913" y2="-1.84"/> <atom id="CPD1F-97-atom13" elementType="C" x2="0.0937" y2="-1.1725"/> <atom id="CPD1F-97-atom14" elementType="C" x2="-1.5473" y2="-1.0"/> <atom id="CPD1F-97-atom15" elementType="C" x2="-1.0623" y2="-0.3326"/> <atom id="CPD1F-97-atom16" elementType="C" x2="0.9086" y2="-1.0436"/> <atom id="CPD1F-97-atom17" elementType="O" x2="-3.5312" y2="1.2539"/> <atom id="CPD1F-97-atom18" elementType="C" x2="-2.8168" y2="-1.4125"/> <atom id="CPD1F-97-atom19" elementType="C" x2="-2.8168" y2="-0.5875"/> <atom id="CPD1F-97-atom20" elementType="C" x2="-2.0322" y2="-0.3326"/> <atom id="CPD1F-97-atom21" elementType="O" x2="-2.3292" y2="1.0651"/> <atom id="CPD1F-97-atom22" elementType="C" x2="-2.8168" y2="-2.2375"/> <atom id="CPD1F-97-atom23" elementType="O" x2="-3.5313" y2="-2.65"/> <atom id="CPD1F-97-atom24" elementType="C" x2="-3.1187" y2="0.5394"/> <atom id="CPD1F-97-atom25" elementType="O" x2="-2.2937" y2="0.5394"/> <atom id="CPD1F-97-atom26" elementType="C" x2="-1.7772" y2="0.452"/> <atom id="CPD1F-97-atom27" elementType="O" x2="-0.9702" y2="0.6235"/> <bond id="CPD1F-97-bond1" atomRefs="CPD1F-97-atom20 CPD1F-97-atom26" order="1"/> <bond id="CPD1F-97-bond2" atomRefs="CPD1F-97-atom26 CPD1F-97-atom27" order="2"/> <bond id="CPD1F-97-bond3" atomRefs="CPD1F-97-atom21 CPD1F-97-atom26" order="1"/> <bond id="CPD1F-97-bond4" atomRefs="CPD1F-97-atom4 CPD1F-97-atom24" order="1"/> <bond id="CPD1F-97-bond5" atomRefs="CPD1F-97-atom24 CPD1F-97-atom25" order="2"/> <bond id="CPD1F-97-bond6" atomRefs="CPD1F-97-atom17 CPD1F-97-atom24" order="1"/> <bond id="CPD1F-97-bond7" atomRefs="CPD1F-97-atom22 CPD1F-97-atom23" order="1"/> <bond id="CPD1F-97-bond8" atomRefs="CPD1F-97-atom8 CPD1F-97-atom14" order="1"/> <bond id="CPD1F-97-bond9" atomRefs="CPD1F-97-atom18 CPD1F-97-atom19" order="1"/> <bond id="CPD1F-97-bond10" atomRefs="CPD1F-97-atom20 CPD1F-97-atom14" order="1"/> <bond id="CPD1F-97-bond11" atomRefs="CPD1F-97-atom19 CPD1F-97-atom20" order="1"/> <bond id="CPD1F-97-bond12" atomRefs="CPD1F-97-atom8 CPD1F-97-atom18" order="1"/> <bond id="CPD1F-97-bond13" atomRefs="CPD1F-97-atom13 CPD1F-97-atom16" order="2"/> <bond id="CPD1F-97-bond14" atomRefs="CPD1F-97-atom13 CPD1F-97-atom15" order="1"/> <bond id="CPD1F-97-bond15" atomRefs="CPD1F-97-atom14 CPD1F-97-atom15" order="1"/> <bond id="CPD1F-97-bond16" atomRefs="CPD1F-97-atom12 CPD1F-97-atom13" order="1"/> <bond id="CPD1F-97-bond17" atomRefs="CPD1F-97-atom11 CPD1F-97-atom12" order="1"/> <bond id="CPD1F-97-bond18" atomRefs="CPD1F-97-atom9 CPD1F-97-atom12" order="1"/> <bond id="CPD1F-97-bond19" atomRefs="CPD1F-97-atom9 CPD1F-97-atom10" order="1"/> <bond id="CPD1F-97-bond20" atomRefs="CPD1F-97-atom14 CPD1F-97-atom11" order="1"/> <bond id="CPD1F-97-bond21" atomRefs="CPD1F-97-atom10 CPD1F-97-atom8" order="1"/> <bond id="CPD1F-97-bond22" atomRefs="CPD1F-97-atom18 CPD1F-97-atom22" order="1"/> <bond id="CPD1F-97-bond23" atomRefs="CPD1F-97-atom8 CPD1F-97-atom7" order="1"/> <bond id="CPD1F-97-bond24" atomRefs="CPD1F-97-atom19 CPD1F-97-atom6" order="1"/> <bond id="CPD1F-97-bond25" atomRefs="CPD1F-97-atom4 CPD1F-97-atom5" order="1"/> <bond id="CPD1F-97-bond26" atomRefs="CPD1F-97-atom4 CPD1F-97-atom19" order="1"/> <bond id="CPD1F-97-bond27" atomRefs="CPD1F-97-atom3 CPD1F-97-atom4" order="1"/> <bond id="CPD1F-97-bond28" atomRefs="CPD1F-97-atom2 CPD1F-97-atom3" order="1"/> <bond id="CPD1F-97-bond29" atomRefs="CPD1F-97-atom1 CPD1F-97-atom18" order="1"/> <bond id="CPD1F-97-bond30" atomRefs="CPD1F-97-atom1 CPD1F-97-atom2" order="1"/> <formula concise="C 20 H 28 O 5" formalCharge="0"/> 348.438 CC1([CH]4(C(CCC1)(CO)[CH]3(C2(CC(C(=C)C2)CC3)(C4C(=O)O))))(C(=O)O)
gibberellin A15 (open lactone form)
gibberellin A44 open lactone form
gibberellin A44 free alcohol form
Inactive GA. (All GAs that have a carboxyl group on C-20 are not biologically active).
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<atom id="CPD-674-atom1" elementType="C" x2="-1.3707" y2="-0.2563"/> <atom id="CPD-674-atom2" elementType="C" x2="-1.3707" y2="0.5688"/> <atom id="CPD-674-atom3" elementType="C" x2="-0.6563" y2="0.9813"/> <atom id="CPD-674-atom4" elementType="C" x2="0.0582" y2="0.5688"/> <atom id="CPD-674-atom5" elementType="C" x2="0.0582" y2="-0.2563"/> <atom id="CPD-674-atom6" elementType="C" x2="-0.6563" y2="-0.6688"/> <atom id="CPD-674-atom7" elementType="C" x2="-0.6563" y2="-1.4938"/> <atom id="CPD-674-atom8" elementType="C" x2="0.0582" y2="-1.9063"/> <atom id="CPD-674-atom9" elementType="C" x2="0.0582" y2="-2.7313"/> <atom id="CPD-674-atom10" elementType="O" x2="0.7727" y2="-3.1438"/> <atom id="CPD-674-atom11" elementType="O" x2="-0.6563" y2="-3.1438"/> <bond id="CPD-674-bond1" atomRefs="CPD-674-atom9 CPD-674-atom10" order="2"/> <bond id="CPD-674-bond2" atomRefs="CPD-674-atom9 CPD-674-atom11" order="1"/> <bond id="CPD-674-bond3" atomRefs="CPD-674-atom8 CPD-674-atom9" order="1"/> <bond id="CPD-674-bond4" atomRefs="CPD-674-atom7 CPD-674-atom8" order="2"/> <bond id="CPD-674-bond5" atomRefs="CPD-674-atom6 CPD-674-atom7" order="1"/> <bond id="CPD-674-bond6" atomRefs="CPD-674-atom5 CPD-674-atom4" order="A"/> <bond id="CPD-674-bond7" atomRefs="CPD-674-atom4 CPD-674-atom3" order="A"/> <bond id="CPD-674-bond8" atomRefs="CPD-674-atom3 CPD-674-atom2" order="A"/> <bond id="CPD-674-bond9" atomRefs="CPD-674-atom2 CPD-674-atom1" order="A"/> <bond id="CPD-674-bond10" atomRefs="CPD-674-atom6 CPD-674-atom5" order="A"/> <bond id="CPD-674-bond11" atomRefs="CPD-674-atom1 CPD-674-atom6" order="A"/> <formula concise="C 9 H 8 O 2" formalCharge="0"/> 148.161 C(O)(=O)C=Cc1(ccccc1)
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CPD1F-98-atom19" order="1"/> <bond id="CPD1F-98-bond16" atomRefs="CPD1F-98-atom14 CPD1F-98-atom20" order="2"/> <bond id="CPD1F-98-bond17" atomRefs="CPD1F-98-atom14 CPD1F-98-atom23" order="1"/> <bond id="CPD1F-98-bond18" atomRefs="CPD1F-98-atom15 CPD1F-98-atom21" order="1"/> <bond id="CPD1F-98-bond19" atomRefs="CPD1F-98-atom15 CPD1F-98-atom22" order="1"/> <bond id="CPD1F-98-bond20" atomRefs="CPD1F-98-atom16 CPD1F-98-atom35" order="2"/> <bond id="CPD1F-98-bond21" atomRefs="CPD1F-98-atom17 CPD1F-98-atom36" order="2"/> <bond id="CPD1F-98-bond22" atomRefs="CPD1F-98-atom18 CPD1F-98-atom35" order="1"/> <bond id="CPD1F-98-bond23" atomRefs="CPD1F-98-atom19 CPD1F-98-atom37" order="2"/> <bond id="CPD1F-98-bond24" atomRefs="CPD1F-98-atom20 CPD1F-98-atom36" order="1"/> <bond id="CPD1F-98-bond25" atomRefs="CPD1F-98-atom21 CPD1F-98-atom37" order="1"/> <bond id="CPD1F-98-bond26" atomRefs="CPD1F-98-atom22 CPD1F-98-atom38" order="2"/> <bond id="CPD1F-98-bond27" atomRefs="CPD1F-98-atom23 CPD1F-98-atom39" order="2"/> <bond id="CPD1F-98-bond28" atomRefs="CPD1F-98-atom24 CPD1F-98-atom27" order="1"/> <bond id="CPD1F-98-bond29" atomRefs="CPD1F-98-atom24 CPD1F-98-atom33" order="2"/> <bond id="CPD1F-98-bond30" atomRefs="CPD1F-98-atom25 CPD1F-98-atom28" order="1"/> <bond id="CPD1F-98-bond31" atomRefs="CPD1F-98-atom25 CPD1F-98-atom34" order="2"/> <bond id="CPD1F-98-bond32" atomRefs="CPD1F-98-atom26 CPD1F-98-atom29" order="1"/> <bond id="CPD1F-98-bond33" atomRefs="CPD1F-98-atom26 CPD1F-98-atom40" order="2"/> <bond id="CPD1F-98-bond34" atomRefs="CPD1F-98-atom27 CPD1F-98-atom30" order="1"/> <bond id="CPD1F-98-bond35" atomRefs="CPD1F-98-atom28 CPD1F-98-atom32" order="1"/> <bond id="CPD1F-98-bond36" atomRefs="CPD1F-98-atom29 CPD1F-98-atom31" order="1"/> <bond id="CPD1F-98-bond37" atomRefs="CPD1F-98-atom30 CPD1F-98-atom38" order="1"/> <bond id="CPD1F-98-bond38" atomRefs="CPD1F-98-atom31 CPD1F-98-atom39" order="1"/> <bond id="CPD1F-98-bond39" atomRefs="CPD1F-98-atom32 CPD1F-98-atom40" order="1"/> <formula concise="C 40 H 60" formalCharge="0"/> 540.914 CC(C)=CCCC(C)=CCCC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)CCC=C(C)CCC=C(C)C
<atom id="SQUALENE-atom1" elementType="C" x2="0.06777" y2="-0.53388"/> <atom id="SQUALENE-atom2" elementType="C" x2="0.99669" y2="0.16364"/> <atom id="SQUALENE-atom3" elementType="C" x2="-0.73223" y2="0.0843"/> <atom id="SQUALENE-atom4" elementType="C" x2="0.6" y2="-0.53388"/> <atom id="SQUALENE-atom5" elementType="C" x2="-0.32562" y2="0.31901"/> <atom id="SQUALENE-atom6" elementType="C" x2="0.2" y2="-0.60992"/> <atom id="SQUALENE-atom7" elementType="C" x2="0.33223" y2="-1.0"/> <atom id="SQUALENE-atom8" elementType="C" x2="-0.19339" y2="-0.07107"/> <atom id="SQUALENE-atom9" elementType="C" x2="0.73223" y2="0.16364"/> <atom id="SQUALENE-atom10" elementType="C" x2="-0.32562" y2="0.16364"/> <atom id="SQUALENE-atom11" elementType="C" x2="0.33223" y2="-0.84463"/> <atom id="SQUALENE-atom12" elementType="C" x2="0.86777" y2="0.0843"/> <atom id="SQUALENE-atom13" elementType="C" x2="0.6" y2="-0.37851"/> <atom id="SQUALENE-atom14" elementType="C" x2="-0.19339" y2="0.0843"/> <atom id="SQUALENE-atom15" elementType="C" x2="0.46777" y2="-0.60992"/> <atom id="SQUALENE-atom16" elementType="C" x2="-0.46116" y2="0.0843"/> <atom id="SQUALENE-atom17" elementType="C" x2="0.86777" y2="-0.07107"/> <atom id="SQUALENE-atom18" elementType="C" x2="-0.86777" y2="0.31901"/> <atom id="SQUALENE-atom19" elementType="C" x2="0.73223" y2="-0.29917"/> <atom id="SQUALENE-atom20" elementType="C" x2="0.46446" y2="-0.29917"/> <atom id="SQUALENE-atom21" elementType="C" x2="-0.86777" y2="0.16364"/> <atom id="SQUALENE-atom22" elementType="C" x2="0.06777" y2="-0.37851"/> <atom id="SQUALENE-atom23" elementType="C" x2="0.2" y2="-0.76529"/> <atom id="SQUALENE-atom24" elementType="C" x2="-0.06116" y2="-0.29917"/> <atom id="SQUALENE-atom25" elementType="C" x2="-1.0" y2="0.0843"/> <atom id="SQUALENE-atom26" elementType="C" x2="-0.59669" y2="0.16364"/> <atom id="SQUALENE-atom27" elementType="C" x2="-0.06116" y2="-0.14711"/> <atom id="SQUALENE-atom28" elementType="C" x2="0.73223" y2="-0.14711"/> <atom id="SQUALENE-atom29" elementType="C" x2="0.46777" y2="-0.76529"/> <atom id="SQUALENE-atom30" elementType="C" x2="-0.19669" y2="-0.37851"/> <bond id="SQUALENE-bond1" atomRefs="SQUALENE-atom30 SQUALENE-atom24" order="1"/> <bond id="SQUALENE-bond2" atomRefs="SQUALENE-atom29 SQUALENE-atom11" order="1"/> <bond id="SQUALENE-bond3" atomRefs="SQUALENE-atom28 SQUALENE-atom19" order="1"/> <bond id="SQUALENE-bond4" atomRefs="SQUALENE-atom27 SQUALENE-atom8" order="1"/> <bond id="SQUALENE-bond5" atomRefs="SQUALENE-atom26 SQUALENE-atom16" order="1"/> <bond id="SQUALENE-bond6" atomRefs="SQUALENE-atom25 SQUALENE-atom21" order="1"/> <bond id="SQUALENE-bond7" atomRefs="SQUALENE-atom24 SQUALENE-atom27" order="1"/> <bond id="SQUALENE-bond8" atomRefs="SQUALENE-atom23 SQUALENE-atom6" order="1"/> <bond id="SQUALENE-bond9" atomRefs="SQUALENE-atom22 SQUALENE-atom24" order="2"/> <bond id="SQUALENE-bond10" atomRefs="SQUALENE-atom21 SQUALENE-atom3" order="2"/> <bond id="SQUALENE-bond11" atomRefs="SQUALENE-atom20 SQUALENE-atom13" order="1"/> <bond id="SQUALENE-bond12" atomRefs="SQUALENE-atom19 SQUALENE-atom13" order="1"/> <bond id="SQUALENE-bond13" atomRefs="SQUALENE-atom18 SQUALENE-atom21" order="1"/> <bond id="SQUALENE-bond14" atomRefs="SQUALENE-atom17 SQUALENE-atom28" order="1"/> <bond id="SQUALENE-bond15" atomRefs="SQUALENE-atom16 SQUALENE-atom10" order="1"/> <bond id="SQUALENE-bond16" atomRefs="SQUALENE-atom15 SQUALENE-atom29" order="1"/> <bond id="SQUALENE-bond17" atomRefs="SQUALENE-atom14 SQUALENE-atom10" order="2"/> <bond id="SQUALENE-bond18" atomRefs="SQUALENE-atom13 SQUALENE-atom4" order="2"/> <bond id="SQUALENE-bond19" atomRefs="SQUALENE-atom12 SQUALENE-atom17" order="2"/> <bond id="SQUALENE-bond20" atomRefs="SQUALENE-atom11 SQUALENE-atom23" order="2"/> <bond id="SQUALENE-bond21" atomRefs="SQUALENE-atom9 SQUALENE-atom12" order="1"/> <bond id="SQUALENE-bond22" atomRefs="SQUALENE-atom8 SQUALENE-atom14" order="1"/> <bond id="SQUALENE-bond23" atomRefs="SQUALENE-atom7 SQUALENE-atom11" order="1"/> <bond id="SQUALENE-bond24" atomRefs="SQUALENE-atom6 SQUALENE-atom1" order="1"/> <bond id="SQUALENE-bond25" atomRefs="SQUALENE-atom5 SQUALENE-atom10" order="1"/> <bond id="SQUALENE-bond26" atomRefs="SQUALENE-atom4 SQUALENE-atom15" order="1"/> <bond id="SQUALENE-bond27" atomRefs="SQUALENE-atom3 SQUALENE-atom26" order="1"/> <bond id="SQUALENE-bond28" atomRefs="SQUALENE-atom2 SQUALENE-atom12" order="1"/> <bond id="SQUALENE-bond29" atomRefs="SQUALENE-atom1 SQUALENE-atom22" order="1"/> <formula concise="C 30 H 50" formalCharge="0"/> 410.725 CC(C)=CCCC(C)=CCCC(C)=CCCC=C(C)CCC=C(C)CCC=C(C)C
<atom id="EPOXYSQUALENE-atom1" elementType="C" x2="4.1583" y2="1.9667"/> <atom id="EPOXYSQUALENE-atom2" elementType="C" x2="4.1583" y2="2.725"/> <atom id="EPOXYSQUALENE-atom3" elementType="C" x2="4.8078" y2="3.1084"/> <atom id="EPOXYSQUALENE-atom4" elementType="C" x2="4.8078" y2="1.5917"/> <atom id="EPOXYSQUALENE-atom5" elementType="C" x2="5.4656" y2="2.725"/> <atom id="EPOXYSQUALENE-atom6" elementType="C" x2="6.1282" y2="3.1057"/> <atom id="EPOXYSQUALENE-atom7" elementType="C" x2="6.7907" y2="2.7281"/> <atom id="EPOXYSQUALENE-atom8" elementType="C" x2="5.4656" y2="1.9667"/> <atom id="EPOXYSQUALENE-atom9" elementType="C" x2="6.7855" y2="1.9619"/> <atom id="EPOXYSQUALENE-atom10" elementType="C" x2="6.7813" y2="0.4256"/> <atom id="EPOXYSQUALENE-atom11" elementType="C" x2="6.1161" y2="0.8134"/> <atom id="EPOXYSQUALENE-atom12" elementType="C" x2="6.1229" y2="1.5812"/> <atom id="EPOXYSQUALENE-atom13" elementType="C" x2="7.4507" y2="1.5742"/> <atom id="EPOXYSQUALENE-atom14" elementType="C" x2="8.1207" y2="1.9623"/> <atom id="EPOXYSQUALENE-atom15" elementType="C" x2="8.7934" y2="1.582"/> <atom id="EPOXYSQUALENE-atom16" elementType="C" x2="7.4534" y2="0.8057"/> <atom id="EPOXYSQUALENE-atom17" elementType="C" x2="8.7908" y2="0.8055"/> <atom id="EPOXYSQUALENE-atom18" elementType="C" x2="9.483" y2="0.4108"/> <atom id="EPOXYSQUALENE-atom19" elementType="C" x2="9.4717" y2="-0.3636"/> <atom id="EPOXYSQUALENE-atom20" elementType="C" x2="8.7921" y2="-0.7512"/> <atom id="EPOXYSQUALENE-atom21" elementType="C" x2="8.1333" y2="-0.3399"/> <atom id="EPOXYSQUALENE-atom22" elementType="C" x2="8.1208" y2="0.4174"/> <atom id="EPOXYSQUALENE-atom23" elementType="C" x2="5.4583" y2="1.1"/> <atom id="EPOXYSQUALENE-atom24" elementType="C" x2="6.7791" y2="1.2209"/> <atom id="EPOXYSQUALENE-atom25" elementType="C" x2="5.3416" y2="3.4084"/> <atom id="EPOXYSQUALENE-atom26" elementType="O" x2="4.175" y2="3.4417"/> <atom id="EPOXYSQUALENE-atom27" elementType="C" x2="7.4708" y2="2.3"/> <atom id="EPOXYSQUALENE-atom28" elementType="C" x2="7.35" y2="-0.0416"/> <atom id="EPOXYSQUALENE-atom29" elementType="C" x2="9.4833" y2="1.1333"/> <atom id="EPOXYSQUALENE-atom30" elementType="C" x2="10.1375" y2="-0.0416"/> <atom id="EPOXYSQUALENE-atom31" elementType="C" x2="4.8" y2="4.0417"/> <bond id="EPOXYSQUALENE-bond1" atomRefs="EPOXYSQUALENE-atom3 EPOXYSQUALENE-atom31" order="1"/> <bond id="EPOXYSQUALENE-bond2" atomRefs="EPOXYSQUALENE-atom2 EPOXYSQUALENE-atom26" order="1"/> <bond id="EPOXYSQUALENE-bond3" atomRefs="EPOXYSQUALENE-atom18 EPOXYSQUALENE-atom30" order="1"/> <bond id="EPOXYSQUALENE-bond4" atomRefs="EPOXYSQUALENE-atom18 EPOXYSQUALENE-atom29" order="1"/> <bond id="EPOXYSQUALENE-bond5" atomRefs="EPOXYSQUALENE-atom22 EPOXYSQUALENE-atom28" order="1"/> <bond id="EPOXYSQUALENE-bond6" atomRefs="EPOXYSQUALENE-atom13 EPOXYSQUALENE-atom27" order="1"/> <bond id="EPOXYSQUALENE-bond7" atomRefs="EPOXYSQUALENE-atom3 EPOXYSQUALENE-atom26" order="1"/> <bond id="EPOXYSQUALENE-bond8" atomRefs="EPOXYSQUALENE-atom3 EPOXYSQUALENE-atom25" order="1"/> <bond id="EPOXYSQUALENE-bond9" atomRefs="EPOXYSQUALENE-atom9 EPOXYSQUALENE-atom24" order="1"/> <bond id="EPOXYSQUALENE-bond10" atomRefs="EPOXYSQUALENE-atom8 EPOXYSQUALENE-atom23" order="1"/> <bond id="EPOXYSQUALENE-bond11" atomRefs="EPOXYSQUALENE-atom21 EPOXYSQUALENE-atom22" order="1"/> <bond id="EPOXYSQUALENE-bond12" atomRefs="EPOXYSQUALENE-atom20 EPOXYSQUALENE-atom21" order="1"/> <bond id="EPOXYSQUALENE-bond13" atomRefs="EPOXYSQUALENE-atom19 EPOXYSQUALENE-atom20" order="1"/> <bond id="EPOXYSQUALENE-bond14" atomRefs="EPOXYSQUALENE-atom18 EPOXYSQUALENE-atom19" order="2"/> <bond id="EPOXYSQUALENE-bond15" atomRefs="EPOXYSQUALENE-atom17 EPOXYSQUALENE-atom22" order="2"/> <bond id="EPOXYSQUALENE-bond16" atomRefs="EPOXYSQUALENE-atom15 EPOXYSQUALENE-atom17" order="1"/> <bond id="EPOXYSQUALENE-bond17" atomRefs="EPOXYSQUALENE-atom14 EPOXYSQUALENE-atom15" order="1"/> <bond id="EPOXYSQUALENE-bond18" atomRefs="EPOXYSQUALENE-atom13 EPOXYSQUALENE-atom14" order="1"/> <bond id="EPOXYSQUALENE-bond19" atomRefs="EPOXYSQUALENE-atom13 EPOXYSQUALENE-atom16" order="2"/> <bond id="EPOXYSQUALENE-bond20" atomRefs="EPOXYSQUALENE-atom11 EPOXYSQUALENE-atom12" order="1"/> <bond id="EPOXYSQUALENE-bond21" atomRefs="EPOXYSQUALENE-atom10 EPOXYSQUALENE-atom11" order="1"/> <bond id="EPOXYSQUALENE-bond22" atomRefs="EPOXYSQUALENE-atom16 EPOXYSQUALENE-atom10" order="1"/> <bond id="EPOXYSQUALENE-bond23" atomRefs="EPOXYSQUALENE-atom9 EPOXYSQUALENE-atom12" order="2"/> <bond id="EPOXYSQUALENE-bond24" atomRefs="EPOXYSQUALENE-atom7 EPOXYSQUALENE-atom9" order="1"/> <bond id="EPOXYSQUALENE-bond25" atomRefs="EPOXYSQUALENE-atom6 EPOXYSQUALENE-atom7" order="1"/> <bond id="EPOXYSQUALENE-bond26" atomRefs="EPOXYSQUALENE-atom5 EPOXYSQUALENE-atom6" order="1"/> <bond id="EPOXYSQUALENE-bond27" atomRefs="EPOXYSQUALENE-atom5 EPOXYSQUALENE-atom8" order="2"/> <bond id="EPOXYSQUALENE-bond28" atomRefs="EPOXYSQUALENE-atom8 EPOXYSQUALENE-atom4" order="1"/> <bond id="EPOXYSQUALENE-bond29" atomRefs="EPOXYSQUALENE-atom2 EPOXYSQUALENE-atom3" order="1"/> <bond id="EPOXYSQUALENE-bond30" atomRefs="EPOXYSQUALENE-atom1 EPOXYSQUALENE-atom2" order="1"/> <bond id="EPOXYSQUALENE-bond31" atomRefs="EPOXYSQUALENE-atom1 EPOXYSQUALENE-atom4" order="1"/> <formula concise="C 30 H 50 O 1" formalCharge="0"/> 426.724 CC(CCC1(C(O1)(C)C))=CCCC(C)=CCCC=C(C)CCC=C(C)CCC=C(C)C
<atom id="SUPER-OXIDE-atom1" elementType="O" x2="1.4083" y2="2.3"/> <atom id="SUPER-OXIDE-atom2" elementType="O" x2="2.4954" y2="1.8833" formalCharge="-1"/> <bond id="SUPER-OXIDE-bond1" atomRefs="SUPER-OXIDE-atom1 SUPER-OXIDE-atom2" order="2"/> <formula concise="O 2" formalCharge="-1"/> 31.999 O=[O-]
<atom id="BETAINE_ALDEHYDE-atom1" elementType="N" x2="0.4819944" y2="-0.4155125"/> <atom id="BETAINE_ALDEHYDE-atom2" elementType="C" x2="0.54016614" y2="-1.0"/> <atom id="BETAINE_ALDEHYDE-atom3" elementType="C" x2="0.9972298" y2="-0.698061"/> <atom id="BETAINE_ALDEHYDE-atom4" elementType="O" x2="-1.0" y2="-0.7036011"/> <atom id="BETAINE_ALDEHYDE-atom5" elementType="C" x2="-0.48753464" y2="-0.4155125"/> <atom id="BETAINE_ALDEHYDE-atom6" elementType="C" x2="-0.008310258" y2="-0.69529086"/> <atom id="BETAINE_ALDEHYDE-atom7" elementType="C" x2="0.8171744" y2="0.06648195"/> <bond id="BETAINE_ALDEHYDE-bond1" atomRefs="BETAINE_ALDEHYDE-atom7 BETAINE_ALDEHYDE-atom1" order="1"/> <bond id="BETAINE_ALDEHYDE-bond2" atomRefs="BETAINE_ALDEHYDE-atom6 BETAINE_ALDEHYDE-atom1" order="1"/> <bond id="BETAINE_ALDEHYDE-bond3" atomRefs="BETAINE_ALDEHYDE-atom5 BETAINE_ALDEHYDE-atom6" order="1"/> <bond id="BETAINE_ALDEHYDE-bond4" atomRefs="BETAINE_ALDEHYDE-atom4 BETAINE_ALDEHYDE-atom5" order="2"/> <bond id="BETAINE_ALDEHYDE-bond5" atomRefs="BETAINE_ALDEHYDE-atom3 BETAINE_ALDEHYDE-atom1" order="1"/> <bond id="BETAINE_ALDEHYDE-bond6" atomRefs="BETAINE_ALDEHYDE-atom2 BETAINE_ALDEHYDE-atom1" order="1"/> <formula concise="C 5 H 12 N 1 O 1" formalCharge="0"/> 102.156 C(=O)CN(C)(C)C
<atom id="BETAINE-atom1" elementType="C" x2="-1.0" y2="-0.03618"/> <atom id="BETAINE-atom2" elementType="C" x2="0.51974" y2="-0.60855"/> <atom id="BETAINE-atom3" elementType="C" x2="-0.13158" y2="0.04276"/> <atom id="BETAINE-atom4" elementType="C" x2="-0.05263" y2="-0.82237"/> <atom id="BETAINE-atom5" elementType="N" x2="-0.52632" y2="-0.43092" formalCharge="1"/> <atom id="BETAINE-atom6" elementType="C" x2="-0.92105" y2="-0.90461"/> <atom id="BETAINE-atom7" elementType="O" x2="0.99671" y2="-1.0" formalCharge="-1"/> <atom id="BETAINE-atom8" elementType="O" x2="0.625" y2="-0.00329"/> <bond id="BETAINE-bond1" atomRefs="BETAINE-atom8 BETAINE-atom2" order="2"/> <bond id="BETAINE-bond2" atomRefs="BETAINE-atom7 BETAINE-atom2" order="1"/> <bond id="BETAINE-bond3" atomRefs="BETAINE-atom6 BETAINE-atom5" order="1"/> <bond id="BETAINE-bond4" atomRefs="BETAINE-atom5 BETAINE-atom4" order="1"/> <bond id="BETAINE-bond5" atomRefs="BETAINE-atom4 BETAINE-atom2" order="1"/> <bond id="BETAINE-bond6" atomRefs="BETAINE-atom3 BETAINE-atom5" order="1"/> <bond id="BETAINE-bond7" atomRefs="BETAINE-atom1 BETAINE-atom5" order="1"/> <formula concise="C 5 H 11 N 1 O 2" formalCharge="0"/> 117.147 C([O-])(=O)C[N+](C)(C)C
<atom id="GAP-atom1" elementType="H" x2="2.4298" y2="-4.1021"/> <atom id="GAP-atom2" elementType="O" x2="0.0" y2="-5.4935"/> <atom id="GAP-atom3" elementType="O" x2="5.0762" y2="-1.3256"/> <atom id="GAP-atom4" elementType="O" x2="1.2149" y2="-4.7978"/> <atom id="GAP-atom5" elementType="O" x2="3.751" y2="0.0"/> <atom id="GAP-atom6" elementType="O" x2="3.751" y2="-2.6508"/> <atom id="GAP-atom7" elementType="C" x2="0.005" y2="-4.0936"/> <atom id="GAP-atom8" elementType="C" x2="1.2248" y2="-1.9979"/> <atom id="GAP-atom9" elementType="O" x2="2.4528" y2="-1.3256"/> <atom id="GAP-atom10" elementType="C" x2="1.2199" y2="-3.3978"/> <atom id="GAP-atom11" elementType="P" x2="3.751" y2="-1.3256"/> <bond id="GAP-bond1" atomRefs="GAP-atom9 GAP-atom11" order="1"/> <bond id="GAP-bond2" atomRefs="GAP-atom8 GAP-atom10" order="1"/> <bond id="GAP-bond3" atomRefs="GAP-atom8 GAP-atom9" order="1"/> <bond id="GAP-bond4" atomRefs="GAP-atom7 GAP-atom10" order="1"/> <bond id="GAP-bond5" atomRefs="GAP-atom6 GAP-atom11" order="1"/> <bond id="GAP-bond6" atomRefs="GAP-atom5 GAP-atom11" order="1"/> <bond id="GAP-bond7" atomRefs="GAP-atom10 GAP-atom4" order="1"/> <bond id="GAP-bond8" atomRefs="GAP-atom3 GAP-atom11" order="2"/> <bond id="GAP-bond9" atomRefs="GAP-atom2 GAP-atom7" order="2"/> <bond id="GAP-bond10" atomRefs="GAP-atom10 GAP-atom1" order="1"/> <formula concise="C 3 H 7 O 6 P 1" formalCharge="0"/> 170.058 C(=O)[CH](O)COP(O)(O)=O
<atom id="Pi-atom1" elementType="P" x2="-0.00166" y2="-0.00166"/> <atom id="Pi-atom2" elementType="O" x2="0.99667" y2="-0.00166" formalCharge="-1"/> <atom id="Pi-atom3" elementType="O" x2="-0.00166" y2="0.99667" formalCharge="-1"/> <atom id="Pi-atom4" elementType="O" x2="-0.00166" y2="-1.0" formalCharge="-1"/> <atom id="Pi-atom5" elementType="O" x2="-1.0" y2="-0.00166"/> <bond id="Pi-bond1" atomRefs="Pi-atom5 Pi-atom1" order="2"/> <bond id="Pi-bond2" atomRefs="Pi-atom4 Pi-atom1" order="1"/> <bond id="Pi-bond3" atomRefs="Pi-atom3 Pi-atom1" order="1"/> <bond id="Pi-bond4" atomRefs="Pi-atom2 Pi-atom1" order="1"/> <formula concise="O 4 P 1" formalCharge="-3"/> 94.971 P([O-])([O-])(=O)[O-]
Glyceraldehyde 3-phosphate dehydrogenase (phosphorylating)
<atom id="DPG-atom1" elementType="C" x2="-0.02174" y2="-0.73602"/> <atom id="DPG-atom2" elementType="P" x2="0.73292" y2="-0.48137"/> <atom id="DPG-atom3" elementType="O" x2="0.73292" y2="-0.21739"/> <atom id="DPG-atom4" elementType="P" x2="-0.73602" y2="-0.48137"/> <atom id="DPG-atom5" elementType="O" x2="0.49379" y2="-0.48137"/> <atom id="DPG-atom6" elementType="O" x2="-0.73602" y2="-0.21739"/> <atom id="DPG-atom7" elementType="O" x2="-0.52484" y2="-0.48137"/> <atom id="DPG-atom8" elementType="O" x2="-0.02174" y2="-1.0"/> <atom id="DPG-atom9" elementType="C" x2="-0.25776" y2="-0.48137"/> <atom id="DPG-atom10" elementType="O" x2="0.99689" y2="-0.48137"/> <atom id="DPG-atom11" elementType="O" x2="-0.25776" y2="-0.21739"/> <atom id="DPG-atom12" elementType="O" x2="-0.73602" y2="-0.74534"/> <atom id="DPG-atom13" elementType="O" x2="0.73292" y2="-0.74534"/> <atom id="DPG-atom14" elementType="O" x2="-1.0" y2="-0.48137"/> <atom id="DPG-atom15" elementType="C" x2="0.21739" y2="-0.48137"/> <bond id="DPG-bond1" atomRefs="DPG-atom15 DPG-atom5" order="1"/> <bond id="DPG-bond2" atomRefs="DPG-atom9 DPG-atom1" order="1"/> <bond id="DPG-bond3" atomRefs="DPG-atom9 DPG-atom11" order="2"/> <bond id="DPG-bond4" atomRefs="DPG-atom7 DPG-atom9" order="1"/> <bond id="DPG-bond5" atomRefs="DPG-atom5 DPG-atom2" order="1"/> <bond id="DPG-bond6" atomRefs="DPG-atom4 DPG-atom7" order="1"/> <bond id="DPG-bond7" atomRefs="DPG-atom4 DPG-atom6" order="1"/> <bond id="DPG-bond8" atomRefs="DPG-atom4 DPG-atom12" order="1"/> <bond id="DPG-bond9" atomRefs="DPG-atom4 DPG-atom14" order="2"/> <bond id="DPG-bond10" atomRefs="DPG-atom2 DPG-atom3" order="1"/> <bond id="DPG-bond11" atomRefs="DPG-atom2 DPG-atom13" order="1"/> <bond id="DPG-bond12" atomRefs="DPG-atom2 DPG-atom10" order="2"/> <bond id="DPG-bond13" atomRefs="DPG-atom1 DPG-atom15" order="1"/> <bond id="DPG-bond14" atomRefs="DPG-atom1 DPG-atom8" order="1"/> <formula concise="C 3 H 8 O 10 P 2" formalCharge="0"/> 266.038 C(OP(O)(O)=O)(=O)C(O)COP(O)(O)=O
NAD-dependent glyceraldehyde-3-phosphate dehydrogenase
GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE
<atom id="INDOLE_ACETALDEHYDE-atom1" elementType="C" x2="-0.6991404" y2="0.048710585"/> <atom id="INDOLE_ACETALDEHYDE-atom2" elementType="C" x2="-0.40687674" y2="0.21489966"/> <atom id="INDOLE_ACETALDEHYDE-atom3" elementType="O" x2="0.9971347" y2="-0.15472782"/> <atom id="INDOLE_ACETALDEHYDE-atom4" elementType="C" x2="-0.6991404" y2="0.7249284"/> <atom id="INDOLE_ACETALDEHYDE-atom5" elementType="C" x2="0.19484246" y2="0.55873924"/> <atom id="INDOLE_ACETALDEHYDE-atom6" elementType="C" x2="0.19484246" y2="0.21489966"/> <atom id="INDOLE_ACETALDEHYDE-atom7" elementType="C" x2="0.9971347" y2="0.22349566"/> <atom id="INDOLE_ACETALDEHYDE-atom8" elementType="C" x2="-1.0" y2="0.21489966"/> <atom id="INDOLE_ACETALDEHYDE-atom9" elementType="C" x2="-1.0" y2="0.55873924"/> <atom id="INDOLE_ACETALDEHYDE-atom10" elementType="C" x2="-0.40687674" y2="0.55873924"/> <atom id="INDOLE_ACETALDEHYDE-atom11" elementType="C" x2="0.6446992" y2="0.42406875"/> <atom id="INDOLE_ACETALDEHYDE-atom12" elementType="N" x2="-0.10888249" y2="0.7249284"/> <atom id="INDOLE_ACETALDEHYDE-atom13" elementType="H" x2="-0.114613175" y2="1.0"/> <bond id="INDOLE_ACETALDEHYDE-bond1" atomRefs="INDOLE_ACETALDEHYDE-atom12 INDOLE_ACETALDEHYDE-atom13" order="1"/> <bond id="INDOLE_ACETALDEHYDE-bond2" atomRefs="INDOLE_ACETALDEHYDE-atom12 INDOLE_ACETALDEHYDE-atom10" order="A"/> <bond id="INDOLE_ACETALDEHYDE-bond3" atomRefs="INDOLE_ACETALDEHYDE-atom11 INDOLE_ACETALDEHYDE-atom6" order="1"/> <bond id="INDOLE_ACETALDEHYDE-bond4" atomRefs="INDOLE_ACETALDEHYDE-atom10 INDOLE_ACETALDEHYDE-atom4" order="A"/> <bond id="INDOLE_ACETALDEHYDE-bond5" atomRefs="INDOLE_ACETALDEHYDE-atom9 INDOLE_ACETALDEHYDE-atom8" order="A"/> <bond id="INDOLE_ACETALDEHYDE-bond6" atomRefs="INDOLE_ACETALDEHYDE-atom8 INDOLE_ACETALDEHYDE-atom1" order="A"/> <bond id="INDOLE_ACETALDEHYDE-bond7" atomRefs="INDOLE_ACETALDEHYDE-atom7 INDOLE_ACETALDEHYDE-atom11" order="1"/> <bond id="INDOLE_ACETALDEHYDE-bond8" atomRefs="INDOLE_ACETALDEHYDE-atom6 INDOLE_ACETALDEHYDE-atom5" order="A"/> <bond id="INDOLE_ACETALDEHYDE-bond9" atomRefs="INDOLE_ACETALDEHYDE-atom5 INDOLE_ACETALDEHYDE-atom12" order="A"/> <bond id="INDOLE_ACETALDEHYDE-bond10" atomRefs="INDOLE_ACETALDEHYDE-atom4 INDOLE_ACETALDEHYDE-atom9" order="A"/> <bond id="INDOLE_ACETALDEHYDE-bond11" atomRefs="INDOLE_ACETALDEHYDE-atom3 INDOLE_ACETALDEHYDE-atom7" order="2"/> <bond id="INDOLE_ACETALDEHYDE-bond12" atomRefs="INDOLE_ACETALDEHYDE-atom2 INDOLE_ACETALDEHYDE-atom10" order="A"/> <bond id="INDOLE_ACETALDEHYDE-bond13" atomRefs="INDOLE_ACETALDEHYDE-atom2 INDOLE_ACETALDEHYDE-atom6" order="A"/> <bond id="INDOLE_ACETALDEHYDE-bond14" atomRefs="INDOLE_ACETALDEHYDE-atom1 INDOLE_ACETALDEHYDE-atom2" order="A"/> <formula concise="C 10 H 9 N 1 O 1" formalCharge="0"/> 159.187 c1(c(CC=O)c2(c([nH]1)cccc2)) 1H-indole-3-acetaldehyde
<atom id="INDOLE_ACETATE_AUXIN-atom1" elementType="H" x2="2.1445" y2="0.0"/> <atom id="INDOLE_ACETATE_AUXIN-atom2" elementType="O" x2="3.8341" y2="-4.0901"/> <atom id="INDOLE_ACETATE_AUXIN-atom3" elementType="O" x2="2.4044" y2="-3.7003"/> <atom id="INDOLE_ACETATE_AUXIN-atom4" elementType="C" x2="0.0" y2="-2.1188"/> <atom id="INDOLE_ACETATE_AUXIN-atom5" elementType="C" x2="0.0" y2="-1.2849"/> <atom id="INDOLE_ACETATE_AUXIN-atom6" elementType="C" x2="0.7147" y2="-2.5304"/> <atom id="INDOLE_ACETATE_AUXIN-atom7" elementType="C" x2="0.7147" y2="-0.8735"/> <atom id="INDOLE_ACETATE_AUXIN-atom8" elementType="C" x2="2.8592" y2="-1.2849"/> <atom id="INDOLE_ACETATE_AUXIN-atom9" elementType="C" x2="3.4441" y2="-2.6929"/> <atom id="INDOLE_ACETATE_AUXIN-atom10" elementType="C" x2="3.2276" y2="-3.4836"/> <atom id="INDOLE_ACETATE_AUXIN-atom11" elementType="C" x2="2.8592" y2="-2.1188"/> <atom id="INDOLE_ACETATE_AUXIN-atom12" elementType="C" x2="1.4297" y2="-2.1188"/> <atom id="INDOLE_ACETATE_AUXIN-atom13" elementType="C" x2="1.4297" y2="-1.2849"/> <atom id="INDOLE_ACETATE_AUXIN-atom14" elementType="N" x2="2.1445" y2="-0.8735"/> <bond id="INDOLE_ACETATE_AUXIN-bond1" atomRefs="INDOLE_ACETATE_AUXIN-atom1 INDOLE_ACETATE_AUXIN-atom14" order="1"/> <bond id="INDOLE_ACETATE_AUXIN-bond2" atomRefs="INDOLE_ACETATE_AUXIN-atom2 INDOLE_ACETATE_AUXIN-atom10" order="2"/> <bond id="INDOLE_ACETATE_AUXIN-bond3" atomRefs="INDOLE_ACETATE_AUXIN-atom3 INDOLE_ACETATE_AUXIN-atom10" order="1"/> <bond id="INDOLE_ACETATE_AUXIN-bond4" atomRefs="INDOLE_ACETATE_AUXIN-atom4 INDOLE_ACETATE_AUXIN-atom5" order="A"/> <bond id="INDOLE_ACETATE_AUXIN-bond5" atomRefs="INDOLE_ACETATE_AUXIN-atom6 INDOLE_ACETATE_AUXIN-atom4" order="A"/> <bond id="INDOLE_ACETATE_AUXIN-bond6" atomRefs="INDOLE_ACETATE_AUXIN-atom5 INDOLE_ACETATE_AUXIN-atom7" order="A"/> <bond id="INDOLE_ACETATE_AUXIN-bond7" atomRefs="INDOLE_ACETATE_AUXIN-atom12 INDOLE_ACETATE_AUXIN-atom6" order="A"/> <bond id="INDOLE_ACETATE_AUXIN-bond8" atomRefs="INDOLE_ACETATE_AUXIN-atom7 INDOLE_ACETATE_AUXIN-atom13" order="A"/> <bond id="INDOLE_ACETATE_AUXIN-bond9" atomRefs="INDOLE_ACETATE_AUXIN-atom11 INDOLE_ACETATE_AUXIN-atom8" order="A"/> <bond id="INDOLE_ACETATE_AUXIN-bond10" atomRefs="INDOLE_ACETATE_AUXIN-atom8 INDOLE_ACETATE_AUXIN-atom14" order="A"/> <bond id="INDOLE_ACETATE_AUXIN-bond11" atomRefs="INDOLE_ACETATE_AUXIN-atom9 INDOLE_ACETATE_AUXIN-atom10" order="1"/> <bond id="INDOLE_ACETATE_AUXIN-bond12" atomRefs="INDOLE_ACETATE_AUXIN-atom9 INDOLE_ACETATE_AUXIN-atom11" order="1"/> <bond id="INDOLE_ACETATE_AUXIN-bond13" atomRefs="INDOLE_ACETATE_AUXIN-atom12 INDOLE_ACETATE_AUXIN-atom11" order="A"/> <bond id="INDOLE_ACETATE_AUXIN-bond14" atomRefs="INDOLE_ACETATE_AUXIN-atom13 INDOLE_ACETATE_AUXIN-atom12" order="A"/> <bond id="INDOLE_ACETATE_AUXIN-bond15" atomRefs="INDOLE_ACETATE_AUXIN-atom14 INDOLE_ACETATE_AUXIN-atom13" order="A"/> <formula concise="C 10 H 9 N 1 O 2" formalCharge="0"/> 175.187 c1(c(CC(=O)O)c2(c([nH]1)cccc2))
3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-octanoic acid
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y2="-4.5088"/> <atom id="CHLOROPHYLLIDE-A-atom14" elementType="C" x2="4.3492" y2="-4.6893"/> <atom id="CHLOROPHYLLIDE-A-atom15" elementType="C" x2="1.0061" y2="-3.2814"/> <atom id="CHLOROPHYLLIDE-A-atom16" elementType="C" x2="-0.1934" y2="-5.9263"/> <atom id="CHLOROPHYLLIDE-A-atom17" elementType="C" x2="-0.9992" y2="-5.7491"/> <atom id="CHLOROPHYLLIDE-A-atom18" elementType="C" x2="1.7156" y2="-2.9481"/> <atom id="CHLOROPHYLLIDE-A-atom19" elementType="C" x2="3.0029" y2="-2.5949"/> <atom id="CHLOROPHYLLIDE-A-atom20" elementType="C" x2="2.5494" y2="-1.9057"/> <atom id="CHLOROPHYLLIDE-A-atom21" elementType="C" x2="1.7539" y2="-2.1239"/> <atom id="CHLOROPHYLLIDE-A-atom22" elementType="N" x2="2.8939" y2="-5.6118"/> <atom id="CHLOROPHYLLIDE-A-atom23" elementType="N" x2="1.5235" y2="-4.6576"/> <atom id="CHLOROPHYLLIDE-A-atom24" elementType="N" x2="2.4876" y2="-3.2391"/> <atom id="CHLOROPHYLLIDE-A-atom25" elementType="N" x2="3.7482" y2="-4.124"/> <atom id="CHLOROPHYLLIDE-A-atom26" 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atomRefs="MONO-VINYL-PROTOCHLOROPHYLLIDE-A-atom30 MONO-VINYL-PROTOCHLOROPHYLLIDE-A-atom31" order="1"/> <bond id="MONO-VINYL-PROTOCHLOROPHYLLIDE-A-bond19" atomRefs="MONO-VINYL-PROTOCHLOROPHYLLIDE-A-atom29 MONO-VINYL-PROTOCHLOROPHYLLIDE-A-atom30" order="1"/> <bond id="MONO-VINYL-PROTOCHLOROPHYLLIDE-A-bond20" atomRefs="MONO-VINYL-PROTOCHLOROPHYLLIDE-A-atom20 MONO-VINYL-PROTOCHLOROPHYLLIDE-A-atom29" order="1"/> <bond id="MONO-VINYL-PROTOCHLOROPHYLLIDE-A-bond21" atomRefs="MONO-VINYL-PROTOCHLOROPHYLLIDE-A-atom21 MONO-VINYL-PROTOCHLOROPHYLLIDE-A-atom28" order="1"/> <bond id="MONO-VINYL-PROTOCHLOROPHYLLIDE-A-bond22" atomRefs="MONO-VINYL-PROTOCHLOROPHYLLIDE-A-atom26 MONO-VINYL-PROTOCHLOROPHYLLIDE-A-atom27" order="1"/> <bond id="MONO-VINYL-PROTOCHLOROPHYLLIDE-A-bond23" atomRefs="MONO-VINYL-PROTOCHLOROPHYLLIDE-A-atom19 MONO-VINYL-PROTOCHLOROPHYLLIDE-A-atom38" order="1"/> <bond id="MONO-VINYL-PROTOCHLOROPHYLLIDE-A-bond24" atomRefs="MONO-VINYL-PROTOCHLOROPHYLLIDE-A-atom20 MONO-VINYL-PROTOCHLOROPHYLLIDE-A-atom21" order="2"/> <bond id="MONO-VINYL-PROTOCHLOROPHYLLIDE-A-bond25" atomRefs="MONO-VINYL-PROTOCHLOROPHYLLIDE-A-atom19 MONO-VINYL-PROTOCHLOROPHYLLIDE-A-atom20" order="1"/> <bond id="MONO-VINYL-PROTOCHLOROPHYLLIDE-A-bond26" atomRefs="MONO-VINYL-PROTOCHLOROPHYLLIDE-A-atom24 MONO-VINYL-PROTOCHLOROPHYLLIDE-A-atom19" order="2"/> <bond id="MONO-VINYL-PROTOCHLOROPHYLLIDE-A-bond27" atomRefs="MONO-VINYL-PROTOCHLOROPHYLLIDE-A-atom18 MONO-VINYL-PROTOCHLOROPHYLLIDE-A-atom21" order="1"/> <bond id="MONO-VINYL-PROTOCHLOROPHYLLIDE-A-bond28" atomRefs="MONO-VINYL-PROTOCHLOROPHYLLIDE-A-atom18 MONO-VINYL-PROTOCHLOROPHYLLIDE-A-atom24" order="1"/> <bond id="MONO-VINYL-PROTOCHLOROPHYLLIDE-A-bond29" atomRefs="MONO-VINYL-PROTOCHLOROPHYLLIDE-A-atom16 MONO-VINYL-PROTOCHLOROPHYLLIDE-A-atom17" order="2"/> <bond id="MONO-VINYL-PROTOCHLOROPHYLLIDE-A-bond30" atomRefs="MONO-VINYL-PROTOCHLOROPHYLLIDE-A-atom11 MONO-VINYL-PROTOCHLOROPHYLLIDE-A-atom16" order="1"/> <bond id="MONO-VINYL-PROTOCHLOROPHYLLIDE-A-bond31" atomRefs="MONO-VINYL-PROTOCHLOROPHYLLIDE-A-atom15 MONO-VINYL-PROTOCHLOROPHYLLIDE-A-atom18" order="2"/> <bond id="MONO-VINYL-PROTOCHLOROPHYLLIDE-A-bond32" atomRefs="MONO-VINYL-PROTOCHLOROPHYLLIDE-A-atom12 MONO-VINYL-PROTOCHLOROPHYLLIDE-A-atom15" order="1"/> <bond id="MONO-VINYL-PROTOCHLOROPHYLLIDE-A-bond33" atomRefs="MONO-VINYL-PROTOCHLOROPHYLLIDE-A-atom36 MONO-VINYL-PROTOCHLOROPHYLLIDE-A-atom26" order="A"/> <bond id="MONO-VINYL-PROTOCHLOROPHYLLIDE-A-bond34" atomRefs="MONO-VINYL-PROTOCHLOROPHYLLIDE-A-atom25 MONO-VINYL-PROTOCHLOROPHYLLIDE-A-atom37" order="A"/> <bond id="MONO-VINYL-PROTOCHLOROPHYLLIDE-A-bond35" atomRefs="MONO-VINYL-PROTOCHLOROPHYLLIDE-A-atom26 MONO-VINYL-PROTOCHLOROPHYLLIDE-A-atom14" order="A"/> <bond id="MONO-VINYL-PROTOCHLOROPHYLLIDE-A-bond36" atomRefs="MONO-VINYL-PROTOCHLOROPHYLLIDE-A-atom14 MONO-VINYL-PROTOCHLOROPHYLLIDE-A-atom25" order="A"/> <bond id="MONO-VINYL-PROTOCHLOROPHYLLIDE-A-bond37" atomRefs="MONO-VINYL-PROTOCHLOROPHYLLIDE-A-atom12 MONO-VINYL-PROTOCHLOROPHYLLIDE-A-atom13" order="A"/> <bond id="MONO-VINYL-PROTOCHLOROPHYLLIDE-A-bond38" atomRefs="MONO-VINYL-PROTOCHLOROPHYLLIDE-A-atom23 MONO-VINYL-PROTOCHLOROPHYLLIDE-A-atom12" order="A"/> <bond id="MONO-VINYL-PROTOCHLOROPHYLLIDE-A-bond39" atomRefs="MONO-VINYL-PROTOCHLOROPHYLLIDE-A-atom13 MONO-VINYL-PROTOCHLOROPHYLLIDE-A-atom11" order="A"/> <bond id="MONO-VINYL-PROTOCHLOROPHYLLIDE-A-bond40" atomRefs="MONO-VINYL-PROTOCHLOROPHYLLIDE-A-atom10 MONO-VINYL-PROTOCHLOROPHYLLIDE-A-atom23" order="A"/> <bond id="MONO-VINYL-PROTOCHLOROPHYLLIDE-A-bond41" atomRefs="MONO-VINYL-PROTOCHLOROPHYLLIDE-A-atom11 MONO-VINYL-PROTOCHLOROPHYLLIDE-A-atom10" order="A"/> <bond id="MONO-VINYL-PROTOCHLOROPHYLLIDE-A-bond42" atomRefs="MONO-VINYL-PROTOCHLOROPHYLLIDE-A-atom2 MONO-VINYL-PROTOCHLOROPHYLLIDE-A-atom9" order="1"/> <bond id="MONO-VINYL-PROTOCHLOROPHYLLIDE-A-bond43" atomRefs="MONO-VINYL-PROTOCHLOROPHYLLIDE-A-atom7 MONO-VINYL-PROTOCHLOROPHYLLIDE-A-atom8" order="1"/> <bond id="MONO-VINYL-PROTOCHLOROPHYLLIDE-A-bond44" atomRefs="MONO-VINYL-PROTOCHLOROPHYLLIDE-A-atom3 MONO-VINYL-PROTOCHLOROPHYLLIDE-A-atom7" order="1"/> <bond id="MONO-VINYL-PROTOCHLOROPHYLLIDE-A-bond45" atomRefs="MONO-VINYL-PROTOCHLOROPHYLLIDE-A-atom6 MONO-VINYL-PROTOCHLOROPHYLLIDE-A-atom14" order="2"/> <bond id="MONO-VINYL-PROTOCHLOROPHYLLIDE-A-bond46" atomRefs="MONO-VINYL-PROTOCHLOROPHYLLIDE-A-atom4 MONO-VINYL-PROTOCHLOROPHYLLIDE-A-atom6" order="1"/> <bond id="MONO-VINYL-PROTOCHLOROPHYLLIDE-A-bond47" atomRefs="MONO-VINYL-PROTOCHLOROPHYLLIDE-A-atom5 MONO-VINYL-PROTOCHLOROPHYLLIDE-A-atom10" order="1"/> <bond id="MONO-VINYL-PROTOCHLOROPHYLLIDE-A-bond48" atomRefs="MONO-VINYL-PROTOCHLOROPHYLLIDE-A-atom1 MONO-VINYL-PROTOCHLOROPHYLLIDE-A-atom5" order="2"/> <bond id="MONO-VINYL-PROTOCHLOROPHYLLIDE-A-bond49" atomRefs="MONO-VINYL-PROTOCHLOROPHYLLIDE-A-atom4 MONO-VINYL-PROTOCHLOROPHYLLIDE-A-atom22" order="2"/> <bond id="MONO-VINYL-PROTOCHLOROPHYLLIDE-A-bond50" atomRefs="MONO-VINYL-PROTOCHLOROPHYLLIDE-A-atom3 MONO-VINYL-PROTOCHLOROPHYLLIDE-A-atom4" order="1"/> <bond id="MONO-VINYL-PROTOCHLOROPHYLLIDE-A-bond51" atomRefs="MONO-VINYL-PROTOCHLOROPHYLLIDE-A-atom2 MONO-VINYL-PROTOCHLOROPHYLLIDE-A-atom3" order="2"/> <bond id="MONO-VINYL-PROTOCHLOROPHYLLIDE-A-bond52" atomRefs="MONO-VINYL-PROTOCHLOROPHYLLIDE-A-atom1 MONO-VINYL-PROTOCHLOROPHYLLIDE-A-atom22" order="1"/> <bond id="MONO-VINYL-PROTOCHLOROPHYLLIDE-A-bond53" atomRefs="MONO-VINYL-PROTOCHLOROPHYLLIDE-A-atom1 MONO-VINYL-PROTOCHLOROPHYLLIDE-A-atom2" order="1"/> <formula concise="C 35 H 32 N 4 O 5 MG 1" formalCharge="0"/> 612.967 CCC8(C3(=N7([Mg]59(n2(c1(=C(C(C(=O)OC)C(=O)c1c(C)c2=C3)C4(=N(C(C(C)=C4CCC(=O)O)=Cc6(n5c(c(C=C)c(C)6)C=C7C(C)=8))9)))))))
NADPH-protochlorophyllide oxidoreductase
NADPH PROTOCHLOROPHYLLIDE OXIDOREDUCTASE
<atom id="GLT-atom1" elementType="N" x2="0.0" y2="-2.789"/> <atom id="GLT-atom2" elementType="O" x2="6.0915" y2="-2.0437"/> <atom id="GLT-atom3" elementType="O" x2="0.0302" y2="-0.0101"/> <atom id="GLT-atom4" elementType="O" x2="4.8834" y2="-4.1481"/> <atom id="GLT-atom5" elementType="O" x2="2.4467" y2="0.0"/> <atom id="GLT-atom6" elementType="C" x2="3.6448" y2="-2.0739"/> <atom id="GLT-atom7" elementType="C" x2="2.4467" y2="-2.789"/> <atom id="GLT-atom8" elementType="C" x2="4.8834" y2="-2.7488"/> <atom id="GLT-atom9" elementType="C" x2="1.2383" y2="-0.7148"/> <atom id="GLT-atom10" elementType="C" x2="1.2383" y2="-2.1041"/> <bond id="GLT-bond1" atomRefs="GLT-atom9 GLT-atom10" order="1"/> <bond id="GLT-bond2" atomRefs="GLT-atom10 GLT-atom7" order="1"/> <bond id="GLT-bond3" atomRefs="GLT-atom6 GLT-atom8" order="1"/> <bond id="GLT-bond4" atomRefs="GLT-atom6 GLT-atom7" order="1"/> <bond id="GLT-bond5" atomRefs="GLT-atom5 GLT-atom9" order="1"/> <bond id="GLT-bond6" atomRefs="GLT-atom4 GLT-atom8" order="1"/> <bond id="GLT-bond7" atomRefs="GLT-atom3 GLT-atom9" order="2"/> <bond id="GLT-bond8" atomRefs="GLT-atom2 GLT-atom8" order="2"/> <bond id="GLT-bond9" atomRefs="GLT-atom1 GLT-atom10" order="1"/> <formula concise="C 5 H 9 N 1 O 4" formalCharge="0"/> 147.13 C(=O)(O)CCC(N)C(O)=O
<atom id="GLN-atom1" elementType="N" x2="7.2639" y2="-2.1111"/> <atom id="GLN-atom2" elementType="N" x2="2.4214" y2="-3.5066"/> <atom id="GLN-atom3" elementType="O" x2="6.0353" y2="0.0"/> <atom id="GLN-atom4" elementType="O" x2="1.2285" y2="0.0"/> <atom id="GLN-atom5" elementType="O" x2="0.0" y2="-2.1111"/> <atom id="GLN-atom6" elementType="C" x2="4.8308" y2="-2.0991"/> <atom id="GLN-atom7" elementType="C" x2="3.6259" y2="-1.4075"/> <atom id="GLN-atom8" elementType="C" x2="6.0353" y2="-1.4075"/> <atom id="GLN-atom9" elementType="C" x2="1.2285" y2="-1.4075"/> <atom id="GLN-atom10" elementType="C" x2="2.4214" y2="-2.0991"/> <bond id="GLN-bond1" atomRefs="GLN-atom9 GLN-atom10" order="1"/> <bond id="GLN-bond2" atomRefs="GLN-atom10 GLN-atom7" order="1"/> <bond id="GLN-bond3" atomRefs="GLN-atom6 GLN-atom8" order="1"/> <bond id="GLN-bond4" atomRefs="GLN-atom6 GLN-atom7" order="1"/> <bond id="GLN-bond5" atomRefs="GLN-atom5 GLN-atom9" order="1"/> <bond id="GLN-bond6" atomRefs="GLN-atom4 GLN-atom9" order="2"/> <bond id="GLN-bond7" atomRefs="GLN-atom3 GLN-atom8" order="2"/> <bond id="GLN-bond8" atomRefs="GLN-atom2 GLN-atom10" order="1"/> <bond id="GLN-bond9" atomRefs="GLN-atom1 GLN-atom8" order="1"/> <formula concise="C 5 H 10 N 2 O 3" formalCharge="0"/> 146.146 C(N)(=O)CCC(N)C(O)=O
<atom id="PYRIDOXAMINE-5P-atom1" elementType="C" x2="-0.45666665" y2="-0.5566666"/> <atom id="PYRIDOXAMINE-5P-atom2" elementType="C" x2="-0.19333333" y2="-0.40666664"/> <atom id="PYRIDOXAMINE-5P-atom3" elementType="O" x2="0.99666667" y2="-0.59000003"/> <atom id="PYRIDOXAMINE-5P-atom4" elementType="C" x2="-0.45666665" y2="-0.86333334"/> <atom id="PYRIDOXAMINE-5P-atom5" elementType="C" x2="0.06666672" y2="-0.59000003"/> <atom id="PYRIDOXAMINE-5P-atom6" elementType="P" x2="0.6933334" y2="-0.59000003"/> <atom id="PYRIDOXAMINE-5P-atom7" elementType="O" x2="0.6933334" y2="-0.89"/> <atom id="PYRIDOXAMINE-5P-atom8" elementType="N" x2="-0.18666667" y2="-1.0"/> <atom id="PYRIDOXAMINE-5P-atom9" elementType="C" x2="-0.7266667" y2="-0.40666664"/> <atom id="PYRIDOXAMINE-5P-atom10" elementType="C" x2="-0.7266667" y2="-0.093333304"/> <atom id="PYRIDOXAMINE-5P-atom11" elementType="O" x2="0.40333343" y2="-0.59000003"/> <atom id="PYRIDOXAMINE-5P-atom12" elementType="N" x2="-0.45666665" y2="0.060000062"/> <atom id="PYRIDOXAMINE-5P-atom13" elementType="C" x2="-0.19333333" y2="-0.093333304"/> <atom id="PYRIDOXAMINE-5P-atom14" elementType="O" x2="-0.97333336" y2="-0.58"/> <atom id="PYRIDOXAMINE-5P-atom15" elementType="C" x2="-1.0" y2="0.0333333"/> <atom id="PYRIDOXAMINE-5P-atom16" elementType="O" x2="0.6933334" y2="-0.28666663"/> <bond id="PYRIDOXAMINE-5P-bond1" atomRefs="PYRIDOXAMINE-5P-atom16 PYRIDOXAMINE-5P-atom6" order="2"/> <bond id="PYRIDOXAMINE-5P-bond2" atomRefs="PYRIDOXAMINE-5P-atom15 PYRIDOXAMINE-5P-atom10" order="1"/> <bond id="PYRIDOXAMINE-5P-bond3" atomRefs="PYRIDOXAMINE-5P-atom14 PYRIDOXAMINE-5P-atom9" order="1"/> <bond id="PYRIDOXAMINE-5P-bond4" atomRefs="PYRIDOXAMINE-5P-atom13 PYRIDOXAMINE-5P-atom2" order="A"/> <bond id="PYRIDOXAMINE-5P-bond5" atomRefs="PYRIDOXAMINE-5P-atom12 PYRIDOXAMINE-5P-atom13" order="A"/> <bond id="PYRIDOXAMINE-5P-bond6" atomRefs="PYRIDOXAMINE-5P-atom11 PYRIDOXAMINE-5P-atom6" order="1"/> <bond id="PYRIDOXAMINE-5P-bond7" atomRefs="PYRIDOXAMINE-5P-atom10 PYRIDOXAMINE-5P-atom12" order="A"/> <bond id="PYRIDOXAMINE-5P-bond8" atomRefs="PYRIDOXAMINE-5P-atom9 PYRIDOXAMINE-5P-atom10" order="A"/> <bond id="PYRIDOXAMINE-5P-bond9" atomRefs="PYRIDOXAMINE-5P-atom8 PYRIDOXAMINE-5P-atom4" order="1"/> <bond id="PYRIDOXAMINE-5P-bond10" atomRefs="PYRIDOXAMINE-5P-atom7 PYRIDOXAMINE-5P-atom6" order="1"/> <bond id="PYRIDOXAMINE-5P-bond11" atomRefs="PYRIDOXAMINE-5P-atom5 PYRIDOXAMINE-5P-atom11" order="1"/> <bond id="PYRIDOXAMINE-5P-bond12" atomRefs="PYRIDOXAMINE-5P-atom4 PYRIDOXAMINE-5P-atom1" order="1"/> <bond id="PYRIDOXAMINE-5P-bond13" atomRefs="PYRIDOXAMINE-5P-atom3 PYRIDOXAMINE-5P-atom6" order="1"/> <bond id="PYRIDOXAMINE-5P-bond14" atomRefs="PYRIDOXAMINE-5P-atom2 PYRIDOXAMINE-5P-atom1" order="A"/> <bond id="PYRIDOXAMINE-5P-bond15" atomRefs="PYRIDOXAMINE-5P-atom2 PYRIDOXAMINE-5P-atom5" order="1"/> <bond id="PYRIDOXAMINE-5P-bond16" atomRefs="PYRIDOXAMINE-5P-atom1 PYRIDOXAMINE-5P-atom9" order="A"/> <formula concise="C 8 H 13 N 2 O 5 P 1" formalCharge="0"/> 248.175 C(N)c1(c(COP(O)(=O)O)cnc(C)c(O)1)
<atom id="PYRIDOXAL_PHOSPHATE-atom1" elementType="C" x2="-0.19212" y2="-0.0936"/> <atom id="PYRIDOXAL_PHOSPHATE-atom2" elementType="O" x2="0.69458" y2="-0.28736"/> <atom id="PYRIDOXAL_PHOSPHATE-atom3" elementType="O" x2="0.99672" y2="-0.58949"/> <atom id="PYRIDOXAL_PHOSPHATE-atom4" elementType="P" x2="0.69458" y2="-0.58949"/> <atom id="PYRIDOXAL_PHOSPHATE-atom5" elementType="C" x2="-0.72742" y2="-0.0936"/> <atom id="PYRIDOXAL_PHOSPHATE-atom6" elementType="N" x2="-0.45813" y2="0.06076"/> <atom id="PYRIDOXAL_PHOSPHATE-atom7" elementType="C" x2="-0.45813" y2="-0.55665"/> <atom id="PYRIDOXAL_PHOSPHATE-atom8" elementType="C" x2="0.06732" y2="-0.58949"/> <atom id="PYRIDOXAL_PHOSPHATE-atom9" elementType="O" x2="-0.18555" y2="-1.0"/> <atom id="PYRIDOXAL_PHOSPHATE-atom10" elementType="O" x2="0.4023" y2="-0.58949"/> <atom id="PYRIDOXAL_PHOSPHATE-atom11" elementType="C" x2="-0.72742" y2="-0.40558"/> <atom id="PYRIDOXAL_PHOSPHATE-atom12" elementType="O" x2="0.69458" y2="-0.89163"/> <atom id="PYRIDOXAL_PHOSPHATE-atom13" elementType="C" x2="-0.45813" y2="-0.86207"/> <atom id="PYRIDOXAL_PHOSPHATE-atom14" elementType="C" x2="-0.19212" y2="-0.40558"/> <atom id="PYRIDOXAL_PHOSPHATE-atom15" elementType="C" x2="-1.0" y2="0.03448"/> <atom id="PYRIDOXAL_PHOSPHATE-atom16" elementType="O" x2="-0.97373" y2="-0.57964"/> <bond id="PYRIDOXAL_PHOSPHATE-bond1" atomRefs="PYRIDOXAL_PHOSPHATE-atom16 PYRIDOXAL_PHOSPHATE-atom11" order="1"/> <bond id="PYRIDOXAL_PHOSPHATE-bond2" atomRefs="PYRIDOXAL_PHOSPHATE-atom15 PYRIDOXAL_PHOSPHATE-atom5" order="1"/> <bond id="PYRIDOXAL_PHOSPHATE-bond3" atomRefs="PYRIDOXAL_PHOSPHATE-atom14 PYRIDOXAL_PHOSPHATE-atom8" order="1"/> <bond id="PYRIDOXAL_PHOSPHATE-bond4" atomRefs="PYRIDOXAL_PHOSPHATE-atom13 PYRIDOXAL_PHOSPHATE-atom7" order="1"/> <bond id="PYRIDOXAL_PHOSPHATE-bond5" atomRefs="PYRIDOXAL_PHOSPHATE-atom12 PYRIDOXAL_PHOSPHATE-atom4" order="1"/> <bond id="PYRIDOXAL_PHOSPHATE-bond6" atomRefs="PYRIDOXAL_PHOSPHATE-atom11 PYRIDOXAL_PHOSPHATE-atom5" order="A"/> <bond id="PYRIDOXAL_PHOSPHATE-bond7" atomRefs="PYRIDOXAL_PHOSPHATE-atom7 PYRIDOXAL_PHOSPHATE-atom11" order="A"/> <bond id="PYRIDOXAL_PHOSPHATE-bond8" atomRefs="PYRIDOXAL_PHOSPHATE-atom10 PYRIDOXAL_PHOSPHATE-atom4" order="1"/> <bond id="PYRIDOXAL_PHOSPHATE-bond9" atomRefs="PYRIDOXAL_PHOSPHATE-atom9 PYRIDOXAL_PHOSPHATE-atom13" order="2"/> <bond id="PYRIDOXAL_PHOSPHATE-bond10" atomRefs="PYRIDOXAL_PHOSPHATE-atom8 PYRIDOXAL_PHOSPHATE-atom10" order="1"/> <bond id="PYRIDOXAL_PHOSPHATE-bond11" atomRefs="PYRIDOXAL_PHOSPHATE-atom14 PYRIDOXAL_PHOSPHATE-atom7" order="A"/> <bond id="PYRIDOXAL_PHOSPHATE-bond12" atomRefs="PYRIDOXAL_PHOSPHATE-atom6 PYRIDOXAL_PHOSPHATE-atom1" order="A"/> <bond id="PYRIDOXAL_PHOSPHATE-bond13" atomRefs="PYRIDOXAL_PHOSPHATE-atom5 PYRIDOXAL_PHOSPHATE-atom6" order="A"/> <bond id="PYRIDOXAL_PHOSPHATE-bond14" atomRefs="PYRIDOXAL_PHOSPHATE-atom3 PYRIDOXAL_PHOSPHATE-atom4" order="1"/> <bond id="PYRIDOXAL_PHOSPHATE-bond15" atomRefs="PYRIDOXAL_PHOSPHATE-atom2 PYRIDOXAL_PHOSPHATE-atom4" order="2"/> <bond id="PYRIDOXAL_PHOSPHATE-bond16" atomRefs="PYRIDOXAL_PHOSPHATE-atom1 PYRIDOXAL_PHOSPHATE-atom14" order="A"/> <formula concise="C 8 H 10 N 1 O 6 P 1" formalCharge="0"/> 247.144 c1(c(COP(O)(O)=O)c(C=O)c(O)c(C)n1)
<atom id="PYRIDOXINE-5P-atom1" elementType="O" x2="0.40377355" y2="-0.58867925"/> <atom id="PYRIDOXINE-5P-atom2" elementType="O" x2="0.69433963" y2="-0.89056605"/> <atom id="PYRIDOXINE-5P-atom3" elementType="C" x2="-0.19245279" y2="-0.40377355"/> <atom id="PYRIDOXINE-5P-atom4" elementType="O" x2="-0.9735849" y2="-0.58113205"/> <atom id="PYRIDOXINE-5P-atom5" elementType="C" x2="-0.19245279" y2="-0.09433961"/> <atom id="PYRIDOXINE-5P-atom6" elementType="O" x2="0.69433963" y2="-0.28679246"/> <atom id="PYRIDOXINE-5P-atom7" elementType="O" x2="0.99622643" y2="-0.58867925"/> <atom id="PYRIDOXINE-5P-atom8" elementType="P" x2="0.69433963" y2="-0.58867925"/> <atom id="PYRIDOXINE-5P-atom9" elementType="C" x2="-0.7283019" y2="-0.09433961"/> <atom id="PYRIDOXINE-5P-atom10" elementType="N" x2="-0.45660377" y2="0.06037736"/> <atom id="PYRIDOXINE-5P-atom11" elementType="C" x2="-0.45660377" y2="-0.5584906"/> <atom id="PYRIDOXINE-5P-atom12" elementType="C" x2="0.0679245" y2="-0.58867925"/> <atom id="PYRIDOXINE-5P-atom13" elementType="O" x2="-0.18490565" y2="-1.0"/> <atom id="PYRIDOXINE-5P-atom14" elementType="C" x2="-0.7283019" y2="-0.40377355"/> <atom id="PYRIDOXINE-5P-atom15" elementType="C" x2="-0.45660377" y2="-0.8603774"/> <atom id="PYRIDOXINE-5P-atom16" elementType="C" x2="-1.0" y2="0.03396225"/> <bond id="PYRIDOXINE-5P-bond1" atomRefs="PYRIDOXINE-5P-atom16 PYRIDOXINE-5P-atom9" order="1"/> <bond id="PYRIDOXINE-5P-bond2" atomRefs="PYRIDOXINE-5P-atom15 PYRIDOXINE-5P-atom11" order="1"/> <bond id="PYRIDOXINE-5P-bond3" atomRefs="PYRIDOXINE-5P-atom14 PYRIDOXINE-5P-atom9" order="A"/> <bond id="PYRIDOXINE-5P-bond4" atomRefs="PYRIDOXINE-5P-atom13 PYRIDOXINE-5P-atom15" order="1"/> <bond id="PYRIDOXINE-5P-bond5" atomRefs="PYRIDOXINE-5P-atom12 PYRIDOXINE-5P-atom1" order="1"/> <bond id="PYRIDOXINE-5P-bond6" atomRefs="PYRIDOXINE-5P-atom11 PYRIDOXINE-5P-atom14" order="A"/> <bond id="PYRIDOXINE-5P-bond7" atomRefs="PYRIDOXINE-5P-atom10 PYRIDOXINE-5P-atom5" order="A"/> <bond id="PYRIDOXINE-5P-bond8" atomRefs="PYRIDOXINE-5P-atom9 PYRIDOXINE-5P-atom10" order="A"/> <bond id="PYRIDOXINE-5P-bond9" atomRefs="PYRIDOXINE-5P-atom7 PYRIDOXINE-5P-atom8" order="1"/> <bond id="PYRIDOXINE-5P-bond10" atomRefs="PYRIDOXINE-5P-atom6 PYRIDOXINE-5P-atom8" order="2"/> <bond id="PYRIDOXINE-5P-bond11" atomRefs="PYRIDOXINE-5P-atom5 PYRIDOXINE-5P-atom3" order="A"/> <bond id="PYRIDOXINE-5P-bond12" atomRefs="PYRIDOXINE-5P-atom4 PYRIDOXINE-5P-atom14" order="1"/> <bond id="PYRIDOXINE-5P-bond13" atomRefs="PYRIDOXINE-5P-atom3 PYRIDOXINE-5P-atom11" order="A"/> <bond id="PYRIDOXINE-5P-bond14" atomRefs="PYRIDOXINE-5P-atom3 PYRIDOXINE-5P-atom12" order="1"/> <bond id="PYRIDOXINE-5P-bond15" atomRefs="PYRIDOXINE-5P-atom2 PYRIDOXINE-5P-atom8" order="1"/> <bond id="PYRIDOXINE-5P-bond16" atomRefs="PYRIDOXINE-5P-atom1 PYRIDOXINE-5P-atom8" order="1"/> <formula concise="C 8 H 12 N 1 O 6 P 1" formalCharge="0"/> 249.16 c1(c(c(CO)c(O)c(C)n1)COP(=O)(O)O)
<atom id="PRO-atom1" elementType="C" x2="-0.805" y2="0.3399999"/> <atom id="PRO-atom2" elementType="H" x2="0.20249999" y2="0.037500024"/> <atom id="PRO-atom3" elementType="C" x2="0.5425" y2="-0.41750002"/> <atom id="PRO-atom4" elementType="C" x2="-1.0" y2="-0.2425"/> <atom id="PRO-atom5" elementType="O" x2="0.99749994" y2="-0.027500033"/> <atom id="PRO-atom6" elementType="N" x2="-0.51" y2="-0.5925"/> <atom id="PRO-atom7" elementType="C" x2="-0.21500003" y2="0.3399999"/> <atom id="PRO-atom8" elementType="C" x2="-0.027500033" y2="-0.24000001"/> <atom id="PRO-atom9" elementType="O" x2="0.6775" y2="-1.0"/> <bond id="PRO-bond1" atomRefs="PRO-atom9 PRO-atom3" order="1"/> <bond id="PRO-bond2" atomRefs="PRO-atom8 PRO-atom3" order="1"/> <bond id="PRO-bond3" atomRefs="PRO-atom8 PRO-atom2" order="1"/> <bond id="PRO-bond4" atomRefs="PRO-atom7 PRO-atom8" order="1"/> <bond id="PRO-bond5" atomRefs="PRO-atom6 PRO-atom8" order="1"/> <bond id="PRO-bond6" atomRefs="PRO-atom5 PRO-atom3" order="2"/> <bond id="PRO-bond7" atomRefs="PRO-atom4 PRO-atom6" order="1"/> <bond id="PRO-bond8" atomRefs="PRO-atom1 PRO-atom7" order="1"/> <bond id="PRO-bond9" atomRefs="PRO-atom1 PRO-atom4" order="1"/> <formula concise="C 5 H 9 N 1 O 2" formalCharge="0"/> 115.132 C(=O)(O)[CH]1(CCCN1)
Pyrroline 5-carboxylate is an enamine that forms on spontaneous dehydration of |FRAME:L-GLUTAMATE_GAMMA-SEMIALDEHYDE| in aqueous solutions. It can be converted to or be formed from the three amino acids |FRAME:GLT| (EC 1.5.1.12), |FRAME:L-ORNITHINE| (EC 2.6.1.13) and |FRAME:PRO| (EC 1.5.99.8 and EC 1.5.1.2). It is also one of the few metabolites that can be a precursor to other metabolites of both the |FRAME:PWY-4984| and the |FRAME:TCA|.
<atom id="l-delta(1)-pyrroline_5-carboxylate-atom1" elementType="O" x2="4.5937" y2="-0.7337"/> <atom id="l-delta(1)-pyrroline_5-carboxylate-atom2" elementType="O" x2="3.4855" y2="-2.9886"/> <atom id="l-delta(1)-pyrroline_5-carboxylate-atom3" elementType="C" x2="0.0" y2="-1.1236"/> <atom id="l-delta(1)-pyrroline_5-carboxylate-atom4" elementType="C" x2="0.0" y2="0.0"/> <atom id="l-delta(1)-pyrroline_5-carboxylate-atom5" elementType="C" x2="2.1631" y2="0.0"/> <atom id="l-delta(1)-pyrroline_5-carboxylate-atom6" elementType="N" x2="1.0855" y2="-1.8343"/> <atom id="l-delta(1)-pyrroline_5-carboxylate-atom7" elementType="C" x2="3.4855" y2="-1.5898"/> <atom id="l-delta(1)-pyrroline_5-carboxylate-atom8" elementType="C" x2="2.1631" y2="-1.1236"/> <bond id="l-delta(1)-pyrroline_5-carboxylate-bond1" atomRefs="l-delta(1)-pyrroline_5-carboxylate-atom7 l-delta(1)-pyrroline_5-carboxylate-atom8" order="1"/> <bond id="l-delta(1)-pyrroline_5-carboxylate-bond2" atomRefs="l-delta(1)-pyrroline_5-carboxylate-atom8 l-delta(1)-pyrroline_5-carboxylate-atom6" order="1"/> <bond id="l-delta(1)-pyrroline_5-carboxylate-bond3" atomRefs="l-delta(1)-pyrroline_5-carboxylate-atom5 l-delta(1)-pyrroline_5-carboxylate-atom8" order="1"/> <bond id="l-delta(1)-pyrroline_5-carboxylate-bond4" atomRefs="l-delta(1)-pyrroline_5-carboxylate-atom4 l-delta(1)-pyrroline_5-carboxylate-atom5" order="1"/> <bond id="l-delta(1)-pyrroline_5-carboxylate-bond5" atomRefs="l-delta(1)-pyrroline_5-carboxylate-atom3 l-delta(1)-pyrroline_5-carboxylate-atom6" order="2"/> <bond id="l-delta(1)-pyrroline_5-carboxylate-bond6" atomRefs="l-delta(1)-pyrroline_5-carboxylate-atom3 l-delta(1)-pyrroline_5-carboxylate-atom4" order="1"/> <bond id="l-delta(1)-pyrroline_5-carboxylate-bond7" atomRefs="l-delta(1)-pyrroline_5-carboxylate-atom2 l-delta(1)-pyrroline_5-carboxylate-atom7" order="1"/> <bond id="l-delta(1)-pyrroline_5-carboxylate-bond8" atomRefs="l-delta(1)-pyrroline_5-carboxylate-atom1 l-delta(1)-pyrroline_5-carboxylate-atom7" order="2"/> <formula concise="C 5 H 7 N 1 O 2" formalCharge="0"/> 113.116 C1(=NC(C(O)=O)CC1)
<atom id="URATE-atom1" elementType="H" x2="0.0945" y2="-2.6727"/> <atom id="URATE-atom2" elementType="H" x2="7.025" y2="-0.0203"/> <atom id="URATE-atom3" elementType="H" x2="4.8533" y2="-4.0374"/> <atom id="URATE-atom4" elementType="O" x2="2.4673" y2="-4.2005"/> <atom id="URATE-atom5" elementType="O" x2="7.1267" y2="-2.5794"/> <atom id="URATE-atom6" elementType="O" x2="0.0" y2="-0.4281" formalCharge="-1"/> <atom id="URATE-atom7" elementType="N" x2="2.4673" y2="0.0"/> <atom id="URATE-atom8" elementType="C" x2="1.2644" y2="-0.7951"/> <atom id="URATE-atom9" elementType="C" x2="2.4673" y2="-2.8751"/> <atom id="URATE-atom10" elementType="C" x2="5.9238" y2="-2.0594"/> <atom id="URATE-atom11" elementType="C" x2="3.7216" y2="-0.7951"/> <atom id="URATE-atom12" elementType="C" x2="3.7216" y2="-1.9473"/> <atom id="URATE-atom13" elementType="N" x2="1.2644" y2="-2.0594"/> <atom id="URATE-atom14" elementType="N" x2="5.9238" y2="-0.7951"/> <atom id="URATE-atom15" elementType="N" x2="4.8637" y2="-2.8037"/> <bond id="URATE-bond1" atomRefs="URATE-atom12 URATE-atom15" order="A"/> <bond id="URATE-bond2" atomRefs="URATE-atom14 URATE-atom11" order="A"/> <bond id="URATE-bond3" atomRefs="URATE-atom11 URATE-atom12" order="A"/> <bond id="URATE-bond4" atomRefs="URATE-atom15 URATE-atom10" order="A"/> <bond id="URATE-bond5" atomRefs="URATE-atom10 URATE-atom14" order="A"/> <bond id="URATE-bond6" atomRefs="URATE-atom13 URATE-atom9" order="A"/> <bond id="URATE-bond7" atomRefs="URATE-atom9 URATE-atom12" order="A"/> <bond id="URATE-bond8" atomRefs="URATE-atom8 URATE-atom13" order="A"/> <bond id="URATE-bond9" atomRefs="URATE-atom11 URATE-atom7" order="A"/> <bond id="URATE-bond10" atomRefs="URATE-atom7 URATE-atom8" order="A"/> <bond id="URATE-bond11" atomRefs="URATE-atom6 URATE-atom8" order="1"/> <bond id="URATE-bond12" atomRefs="URATE-atom5 URATE-atom10" order="2"/> <bond id="URATE-bond13" atomRefs="URATE-atom4 URATE-atom9" order="2"/> <bond id="URATE-bond14" atomRefs="URATE-atom3 URATE-atom15" order="1"/> <bond id="URATE-bond15" atomRefs="URATE-atom2 URATE-atom14" order="1"/> <bond id="URATE-bond16" atomRefs="URATE-atom1 URATE-atom13" order="1"/> <formula concise="C 5 H 3 N 4 O 3" formalCharge="0"/> 167.104 c2(=O)([nH]c([O-])nc1([nH]c(=O)[nH]c12))
<atom id="ALLANTOIN-atom1" elementType="O" x2="0.99674" y2="-0.16938"/> <atom id="ALLANTOIN-atom2" elementType="O" x2="-0.29967" y2="-1.0"/> <atom id="ALLANTOIN-atom3" elementType="N" x2="0.66775" y2="-0.76547"/> <atom id="ALLANTOIN-atom4" elementType="N" x2="-0.28339" y2="-0.19544"/> <atom id="ALLANTOIN-atom5" elementType="C" x2="0.02606" y2="-0.40391"/> <atom id="ALLANTOIN-atom6" elementType="N" x2="0.35179" y2="-0.1759"/> <atom id="ALLANTOIN-atom7" elementType="O" x2="-0.64169" y2="-0.78827"/> <atom id="ALLANTOIN-atom8" elementType="C" x2="-0.64169" y2="-0.38436"/> <atom id="ALLANTOIN-atom9" elementType="C" x2="0.66775" y2="-0.40391"/> <atom id="ALLANTOIN-atom10" elementType="N" x2="-1.0" y2="-0.20195"/> <atom id="ALLANTOIN-atom11" elementType="C" x2="0.02606" y2="-0.76547"/> <bond id="ALLANTOIN-bond1" atomRefs="ALLANTOIN-atom11 ALLANTOIN-atom3" order="1"/> <bond id="ALLANTOIN-bond2" atomRefs="ALLANTOIN-atom10 ALLANTOIN-atom8" order="1"/> <bond id="ALLANTOIN-bond3" atomRefs="ALLANTOIN-atom9 ALLANTOIN-atom3" order="1"/> <bond id="ALLANTOIN-bond4" atomRefs="ALLANTOIN-atom8 ALLANTOIN-atom4" order="1"/> <bond id="ALLANTOIN-bond5" atomRefs="ALLANTOIN-atom7 ALLANTOIN-atom8" order="2"/> <bond id="ALLANTOIN-bond6" atomRefs="ALLANTOIN-atom6 ALLANTOIN-atom9" order="1"/> <bond id="ALLANTOIN-bond7" atomRefs="ALLANTOIN-atom5 ALLANTOIN-atom6" order="1"/> <bond id="ALLANTOIN-bond8" atomRefs="ALLANTOIN-atom5 ALLANTOIN-atom11" order="1"/> <bond id="ALLANTOIN-bond9" atomRefs="ALLANTOIN-atom4 ALLANTOIN-atom5" order="1"/> <bond id="ALLANTOIN-bond10" atomRefs="ALLANTOIN-atom2 ALLANTOIN-atom11" order="2"/> <bond id="ALLANTOIN-bond11" atomRefs="ALLANTOIN-atom1 ALLANTOIN-atom9" order="2"/> <formula concise="C 4 H 6 N 4 O 3" formalCharge="0"/> 158.116 C1(NC(N)=O)(C(=O)NC(N1)=O)
<atom id="5-HYDROXYISOURATE-atom1" elementType="H" x2="0.8051" y2="-2.1341"/> <atom id="5-HYDROXYISOURATE-atom2" elementType="C" x2="1.476" y2="-0.8945"/> <atom id="5-HYDROXYISOURATE-atom3" elementType="C" x2="0.0959" y2="-0.1022"/> <atom id="5-HYDROXYISOURATE-atom4" elementType="N" x2="-0.6901" y2="0.396"/> <atom id="5-HYDROXYISOURATE-atom5" elementType="O" x2="-0.6901" y2="-2.2363"/> <atom id="5-HYDROXYISOURATE-atom6" elementType="N" x2="0.8116" y2="-1.361"/> <atom id="5-HYDROXYISOURATE-atom7" elementType="C" x2="-0.6901" y2="-1.4057"/> <atom id="5-HYDROXYISOURATE-atom8" elementType="H" x2="-2.1021" y2="-1.2396"/> <atom id="5-HYDROXYISOURATE-atom9" elementType="C" x2="-1.444" y2="-0.1022"/> <atom id="5-HYDROXYISOURATE-atom10" elementType="O" x2="-2.2363" y2="0.1277"/> <atom id="5-HYDROXYISOURATE-atom11" elementType="N" x2="-1.444" y2="-0.8945"/> <atom id="5-HYDROXYISOURATE-atom12" elementType="O" x2="2.2298" y2="-1.2204" formalCharge="-1"/> <atom id="5-HYDROXYISOURATE-atom13" elementType="N" x2="1.476" y2="-0.1022"/> <atom id="5-HYDROXYISOURATE-atom14" elementType="C" x2="0.0959" y2="-0.8243"/> <atom id="5-HYDROXYISOURATE-atom15" elementType="O" x2="0.0959" y2="-1.6493"/> <bond id="5-HYDROXYISOURATE-bond1" atomRefs="5-HYDROXYISOURATE-atom14 5-HYDROXYISOURATE-atom15" order="1"/> <bond id="5-HYDROXYISOURATE-bond2" atomRefs="5-HYDROXYISOURATE-atom1 5-HYDROXYISOURATE-atom6" order="1"/> <bond id="5-HYDROXYISOURATE-bond3" atomRefs="5-HYDROXYISOURATE-atom2 5-HYDROXYISOURATE-atom13" order="2"/> <bond id="5-HYDROXYISOURATE-bond4" atomRefs="5-HYDROXYISOURATE-atom3 5-HYDROXYISOURATE-atom14" order="1"/> <bond id="5-HYDROXYISOURATE-bond5" atomRefs="5-HYDROXYISOURATE-atom4 5-HYDROXYISOURATE-atom3" order="2"/> <bond id="5-HYDROXYISOURATE-bond6" atomRefs="5-HYDROXYISOURATE-atom5 5-HYDROXYISOURATE-atom7" order="2"/> <bond id="5-HYDROXYISOURATE-bond7" atomRefs="5-HYDROXYISOURATE-atom6 5-HYDROXYISOURATE-atom2" order="1"/> <bond id="5-HYDROXYISOURATE-bond8" atomRefs="5-HYDROXYISOURATE-atom7 5-HYDROXYISOURATE-atom11" order="1"/> <bond id="5-HYDROXYISOURATE-bond9" atomRefs="5-HYDROXYISOURATE-atom8 5-HYDROXYISOURATE-atom11" order="1"/> <bond id="5-HYDROXYISOURATE-bond10" atomRefs="5-HYDROXYISOURATE-atom9 5-HYDROXYISOURATE-atom4" order="1"/> <bond id="5-HYDROXYISOURATE-bond11" atomRefs="5-HYDROXYISOURATE-atom14 5-HYDROXYISOURATE-atom6" order="1"/> <bond id="5-HYDROXYISOURATE-bond12" atomRefs="5-HYDROXYISOURATE-atom14 5-HYDROXYISOURATE-atom7" order="1"/> <bond id="5-HYDROXYISOURATE-bond13" atomRefs="5-HYDROXYISOURATE-atom10 5-HYDROXYISOURATE-atom9" order="2"/> <bond id="5-HYDROXYISOURATE-bond14" atomRefs="5-HYDROXYISOURATE-atom9 5-HYDROXYISOURATE-atom11" order="1"/> <bond id="5-HYDROXYISOURATE-bond15" atomRefs="5-HYDROXYISOURATE-atom12 5-HYDROXYISOURATE-atom2" order="1"/> <bond id="5-HYDROXYISOURATE-bond16" atomRefs="5-HYDROXYISOURATE-atom13 5-HYDROXYISOURATE-atom3" order="1"/> <formula concise="C 5 H 3 N 4 O 4" formalCharge="0"/> 183.103 C12(=NC(=O)[NH]C(=O)C([NH]C(=N1)[O-])(O)2)
<atom id="DIHYDROLIPOAMIDE-atom1" elementType="H" x2="2.8311" y2="0.0"/> <atom id="DIHYDROLIPOAMIDE-atom2" elementType="N" x2="9.4019" y2="-2.7599"/> <atom id="DIHYDROLIPOAMIDE-atom3" elementType="O" x2="8.638" y2="-0.4671"/> <atom id="DIHYDROLIPOAMIDE-atom4" elementType="S" x2="0.4267" y2="-2.6177"/> <atom id="DIHYDROLIPOAMIDE-atom5" elementType="S" x2="1.8486" y2="-2.6177"/> <atom id="DIHYDROLIPOAMIDE-atom6" elementType="C" x2="0.0" y2="-1.2848"/> <atom id="DIHYDROLIPOAMIDE-atom7" elementType="C" x2="5.9717" y2="-1.338"/> <atom id="DIHYDROLIPOAMIDE-atom8" elementType="C" x2="4.6388" y2="-1.7826"/> <atom id="DIHYDROLIPOAMIDE-atom9" elementType="C" x2="7.0206" y2="-2.2621"/> <atom id="DIHYDROLIPOAMIDE-atom10" elementType="C" x2="1.1374" y2="-0.4671"/> <atom id="DIHYDROLIPOAMIDE-atom11" elementType="C" x2="3.6078" y2="-0.8406"/> <atom id="DIHYDROLIPOAMIDE-atom12" elementType="C" x2="8.3535" y2="-1.8358"/> <atom id="DIHYDROLIPOAMIDE-atom13" elementType="C" x2="2.2749" y2="-1.2848"/> <bond id="DIHYDROLIPOAMIDE-bond1" atomRefs="DIHYDROLIPOAMIDE-atom13 DIHYDROLIPOAMIDE-atom11" order="1"/> <bond id="DIHYDROLIPOAMIDE-bond2" atomRefs="DIHYDROLIPOAMIDE-atom10 DIHYDROLIPOAMIDE-atom13" order="1"/> <bond id="DIHYDROLIPOAMIDE-bond3" atomRefs="DIHYDROLIPOAMIDE-atom9 DIHYDROLIPOAMIDE-atom12" order="1"/> <bond id="DIHYDROLIPOAMIDE-bond4" atomRefs="DIHYDROLIPOAMIDE-atom8 DIHYDROLIPOAMIDE-atom11" order="1"/> <bond id="DIHYDROLIPOAMIDE-bond5" atomRefs="DIHYDROLIPOAMIDE-atom7 DIHYDROLIPOAMIDE-atom9" order="1"/> <bond id="DIHYDROLIPOAMIDE-bond6" atomRefs="DIHYDROLIPOAMIDE-atom7 DIHYDROLIPOAMIDE-atom8" order="1"/> <bond id="DIHYDROLIPOAMIDE-bond7" atomRefs="DIHYDROLIPOAMIDE-atom6 DIHYDROLIPOAMIDE-atom10" order="1"/> <bond id="DIHYDROLIPOAMIDE-bond8" atomRefs="DIHYDROLIPOAMIDE-atom5 DIHYDROLIPOAMIDE-atom13" order="1"/> <bond id="DIHYDROLIPOAMIDE-bond9" atomRefs="DIHYDROLIPOAMIDE-atom4 DIHYDROLIPOAMIDE-atom6" order="1"/> <bond id="DIHYDROLIPOAMIDE-bond10" atomRefs="DIHYDROLIPOAMIDE-atom3 DIHYDROLIPOAMIDE-atom12" order="2"/> <bond id="DIHYDROLIPOAMIDE-bond11" atomRefs="DIHYDROLIPOAMIDE-atom2 DIHYDROLIPOAMIDE-atom12" order="1"/> <bond id="DIHYDROLIPOAMIDE-bond12" atomRefs="DIHYDROLIPOAMIDE-atom13 DIHYDROLIPOAMIDE-atom1" order="1"/> <formula concise="C 8 H 17 N 1 O 1 S 2" formalCharge="0"/> 207.348 C(S)C[CH](S)CCCCC(=O)N
<atom id="LIPOAMIDE-atom1" elementType="H" x2="2.4567" y2="0.0"/> <atom id="LIPOAMIDE-atom2" elementType="N" x2="9.3815" y2="-2.8648"/> <atom id="LIPOAMIDE-atom3" elementType="O" x2="8.6219" y2="-0.5636"/> <atom id="LIPOAMIDE-atom4" elementType="C" x2="5.9648" y2="-1.4407"/> <atom id="LIPOAMIDE-atom5" elementType="C" x2="4.6363" y2="-1.8793"/> <atom id="LIPOAMIDE-atom6" elementType="C" x2="0.0" y2="-1.3866"/> <atom id="LIPOAMIDE-atom7" elementType="C" x2="7.0089" y2="-2.3721"/> <atom id="LIPOAMIDE-atom8" elementType="C" x2="3.5922" y2="-0.9481"/> <atom id="LIPOAMIDE-atom9" elementType="C" x2="1.1239" y2="-0.572"/> <atom id="LIPOAMIDE-atom10" elementType="S" x2="0.4244" y2="-2.725"/> <atom id="LIPOAMIDE-atom11" elementType="S" x2="1.8313" y2="-2.725"/> <atom id="LIPOAMIDE-atom12" elementType="C" x2="8.3374" y2="-1.9334"/> <atom id="LIPOAMIDE-atom13" elementType="C" x2="2.2637" y2="-1.3866"/> <bond id="LIPOAMIDE-bond1" atomRefs="LIPOAMIDE-atom11 LIPOAMIDE-atom13" order="1"/> <bond id="LIPOAMIDE-bond2" atomRefs="LIPOAMIDE-atom10 LIPOAMIDE-atom11" order="1"/> <bond id="LIPOAMIDE-bond3" atomRefs="LIPOAMIDE-atom9 LIPOAMIDE-atom13" order="1"/> <bond id="LIPOAMIDE-bond4" atomRefs="LIPOAMIDE-atom13 LIPOAMIDE-atom8" order="1"/> <bond id="LIPOAMIDE-bond5" atomRefs="LIPOAMIDE-atom7 LIPOAMIDE-atom12" order="1"/> <bond id="LIPOAMIDE-bond6" atomRefs="LIPOAMIDE-atom6 LIPOAMIDE-atom10" order="1"/> <bond id="LIPOAMIDE-bond7" atomRefs="LIPOAMIDE-atom6 LIPOAMIDE-atom9" order="1"/> <bond id="LIPOAMIDE-bond8" atomRefs="LIPOAMIDE-atom5 LIPOAMIDE-atom8" order="1"/> <bond id="LIPOAMIDE-bond9" atomRefs="LIPOAMIDE-atom4 LIPOAMIDE-atom7" order="1"/> <bond id="LIPOAMIDE-bond10" atomRefs="LIPOAMIDE-atom4 LIPOAMIDE-atom5" order="1"/> <bond id="LIPOAMIDE-bond11" atomRefs="LIPOAMIDE-atom3 LIPOAMIDE-atom12" order="2"/> <bond id="LIPOAMIDE-bond12" atomRefs="LIPOAMIDE-atom2 LIPOAMIDE-atom12" order="1"/> <bond id="LIPOAMIDE-bond13" atomRefs="LIPOAMIDE-atom13 LIPOAMIDE-atom1" order="1"/> <formula concise="C 8 H 15 N 1 O 1 S 2" formalCharge="0"/> 205.333 C1(C[CH](SS1)CCCCC(=O)N)
E3 component of α-ketoacid dehydrogenase complexes
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id="CAFFEOYL-COA-bond51" atomRefs="CAFFEOYL-COA-atom16 CAFFEOYL-COA-atom44" order="1"/> <bond id="CAFFEOYL-COA-bond52" atomRefs="CAFFEOYL-COA-atom15 CAFFEOYL-COA-atom47" order="1"/> <bond id="CAFFEOYL-COA-bond53" atomRefs="CAFFEOYL-COA-atom14 CAFFEOYL-COA-atom45" order="1"/> <bond id="CAFFEOYL-COA-bond54" atomRefs="CAFFEOYL-COA-atom13 CAFFEOYL-COA-atom18" order="2"/> <bond id="CAFFEOYL-COA-bond55" atomRefs="CAFFEOYL-COA-atom12 CAFFEOYL-COA-atom38" order="1"/> <bond id="CAFFEOYL-COA-bond56" atomRefs="CAFFEOYL-COA-atom11 CAFFEOYL-COA-atom26" order="1"/> <bond id="CAFFEOYL-COA-bond57" atomRefs="CAFFEOYL-COA-atom11 CAFFEOYL-COA-atom4" order="1"/> <bond id="CAFFEOYL-COA-bond58" atomRefs="CAFFEOYL-COA-atom10 CAFFEOYL-COA-atom19" order="2"/> <bond id="CAFFEOYL-COA-bond59" atomRefs="CAFFEOYL-COA-atom9 CAFFEOYL-COA-atom60" order="1"/> <bond id="CAFFEOYL-COA-bond60" atomRefs="CAFFEOYL-COA-atom8 CAFFEOYL-COA-atom63" order="1"/> <bond id="CAFFEOYL-COA-bond61" atomRefs="CAFFEOYL-COA-atom7 CAFFEOYL-COA-atom23" order="A"/> <bond id="CAFFEOYL-COA-bond62" atomRefs="CAFFEOYL-COA-atom6 CAFFEOYL-COA-atom9" order="1"/> <bond id="CAFFEOYL-COA-bond63" atomRefs="CAFFEOYL-COA-atom5 CAFFEOYL-COA-atom57" order="A"/> <bond id="CAFFEOYL-COA-bond64" atomRefs="CAFFEOYL-COA-atom4 CAFFEOYL-COA-atom63" order="1"/> <bond id="CAFFEOYL-COA-bond65" atomRefs="CAFFEOYL-COA-atom3 CAFFEOYL-COA-atom52" order="1"/> <bond id="CAFFEOYL-COA-bond66" atomRefs="CAFFEOYL-COA-atom2 CAFFEOYL-COA-atom28" order="A"/> <bond id="CAFFEOYL-COA-bond67" atomRefs="CAFFEOYL-COA-atom1 CAFFEOYL-COA-atom19" order="1"/> <formula concise="C 30 H 42 N 7 O 19 P 3 S 1" formalCharge="0"/> 929.679 C(CC(=O)NCCSC(=O)C=Cc1(cc(O)c(O)cc1))NC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[CH]2(O[CH]([CH](O)[CH]2OP(=O)(O)O)n3(c4(c(nc3)c(N)ncn4)))
<atom id="S-ADENOSYLMETHIONINE-atom1" elementType="H" x2="7.8375" y2="7.8375"/> <atom id="S-ADENOSYLMETHIONINE-atom2" elementType="H" x2="10.0383" y2="7.8375"/> <atom id="S-ADENOSYLMETHIONINE-atom3" elementType="H" x2="10.7331" y2="7.9727"/> <atom id="S-ADENOSYLMETHIONINE-atom4" elementType="C" x2="6.9881" y2="5.6561"/> <atom id="S-ADENOSYLMETHIONINE-atom5" elementType="N" x2="8.4553" y2="0.0"/> <atom id="S-ADENOSYLMETHIONINE-atom6" elementType="N" x2="2.3742" y2="4.4011"/> <atom id="S-ADENOSYLMETHIONINE-atom7" elementType="O" x2="1.1968" y2="7.8951"/> <atom id="S-ADENOSYLMETHIONINE-atom8" elementType="O" x2="0.0" y2="5.7719"/> <atom id="S-ADENOSYLMETHIONINE-atom9" elementType="O" x2="7.8375" y2="9.5363"/> <atom id="S-ADENOSYLMETHIONINE-atom10" elementType="O" x2="10.0383" y2="9.5363"/> <atom id="S-ADENOSYLMETHIONINE-atom11" elementType="C" x2="7.3549" y2="3.2624"/> <atom id="S-ADENOSYLMETHIONINE-atom12" elementType="C" x2="11.7371" y2="2.7022"/> <atom id="S-ADENOSYLMETHIONINE-atom13" elementType="C" x2="3.494" y2="6.4861"/> <atom id="S-ADENOSYLMETHIONINE-atom14" elementType="C" x2="4.6909" y2="5.8107"/> <atom id="S-ADENOSYLMETHIONINE-atom15" elementType="C" x2="6.1775" y2="7.3161"/> <atom id="S-ADENOSYLMETHIONINE-atom16" elementType="N" x2="7.3549" y2="2.0656"/> <atom id="S-ADENOSYLMETHIONINE-atom17" elementType="N" x2="8.5517" y2="4.0537"/> <atom id="S-ADENOSYLMETHIONINE-atom18" elementType="N" x2="10.8683" y2="1.409"/> <atom id="S-ADENOSYLMETHIONINE-atom19" elementType="O" x2="8.9767" y2="6.3315"/> <atom id="S-ADENOSYLMETHIONINE-atom20" elementType="C" x2="1.1968" y2="6.4861"/> <atom id="S-ADENOSYLMETHIONINE-atom21" elementType="C" x2="8.4553" y2="1.409"/> <atom id="S-ADENOSYLMETHIONINE-atom22" elementType="C" x2="9.5751" y2="1.9686"/> <atom id="S-ADENOSYLMETHIONINE-atom23" elementType="C" x2="9.5751" y2="3.3006"/> <atom id="S-ADENOSYLMETHIONINE-atom24" elementType="C" x2="2.3742" y2="5.8107"/> <atom id="S-ADENOSYLMETHIONINE-atom25" elementType="C" x2="7.1621" y2="7.3161"/> <atom id="S-ADENOSYLMETHIONINE-atom26" elementType="N" x2="10.7331" y2="3.9379"/> <atom id="S-ADENOSYLMETHIONINE-atom27" elementType="S" x2="5.8495" y2="6.4861" formalCharge="1"/> <atom id="S-ADENOSYLMETHIONINE-atom28" elementType="C" x2="7.8375" y2="8.6869"/> <atom id="S-ADENOSYLMETHIONINE-atom29" elementType="C" x2="10.0383" y2="8.6869"/> <atom id="S-ADENOSYLMETHIONINE-atom30" elementType="C" x2="10.7331" y2="7.1233"/> <bond id="S-ADENOSYLMETHIONINE-bond1" atomRefs="S-ADENOSYLMETHIONINE-atom29 S-ADENOSYLMETHIONINE-atom30" order="1"/> <bond id="S-ADENOSYLMETHIONINE-bond2" atomRefs="S-ADENOSYLMETHIONINE-atom28 S-ADENOSYLMETHIONINE-atom29" order="1"/> <bond id="S-ADENOSYLMETHIONINE-bond3" atomRefs="S-ADENOSYLMETHIONINE-atom30 S-ADENOSYLMETHIONINE-atom26" order="1"/> <bond id="S-ADENOSYLMETHIONINE-bond4" atomRefs="S-ADENOSYLMETHIONINE-atom25 S-ADENOSYLMETHIONINE-atom28" order="1"/> <bond id="S-ADENOSYLMETHIONINE-bond5" atomRefs="S-ADENOSYLMETHIONINE-atom23 S-ADENOSYLMETHIONINE-atom26" order="1"/> <bond id="S-ADENOSYLMETHIONINE-bond6" atomRefs="S-ADENOSYLMETHIONINE-atom23 S-ADENOSYLMETHIONINE-atom22" order="A"/> <bond id="S-ADENOSYLMETHIONINE-bond7" atomRefs="S-ADENOSYLMETHIONINE-atom22 S-ADENOSYLMETHIONINE-atom21" order="A"/> <bond id="S-ADENOSYLMETHIONINE-bond8" atomRefs="S-ADENOSYLMETHIONINE-atom20 S-ADENOSYLMETHIONINE-atom24" order="1"/> <bond id="S-ADENOSYLMETHIONINE-bond9" atomRefs="S-ADENOSYLMETHIONINE-atom19 S-ADENOSYLMETHIONINE-atom30" order="1"/> <bond id="S-ADENOSYLMETHIONINE-bond10" atomRefs="S-ADENOSYLMETHIONINE-atom19 S-ADENOSYLMETHIONINE-atom25" order="1"/> <bond id="S-ADENOSYLMETHIONINE-bond11" atomRefs="S-ADENOSYLMETHIONINE-atom18 S-ADENOSYLMETHIONINE-atom22" order="1"/> <bond id="S-ADENOSYLMETHIONINE-bond12" atomRefs="S-ADENOSYLMETHIONINE-atom17 S-ADENOSYLMETHIONINE-atom23" order="A"/> <bond id="S-ADENOSYLMETHIONINE-bond13" atomRefs="S-ADENOSYLMETHIONINE-atom21 S-ADENOSYLMETHIONINE-atom16" order="A"/> <bond id="S-ADENOSYLMETHIONINE-bond14" atomRefs="S-ADENOSYLMETHIONINE-atom15 S-ADENOSYLMETHIONINE-atom27" order="1"/> <bond id="S-ADENOSYLMETHIONINE-bond15" atomRefs="S-ADENOSYLMETHIONINE-atom25 S-ADENOSYLMETHIONINE-atom15" order="1"/> <bond id="S-ADENOSYLMETHIONINE-bond16" atomRefs="S-ADENOSYLMETHIONINE-atom14 S-ADENOSYLMETHIONINE-atom27" order="1"/> <bond id="S-ADENOSYLMETHIONINE-bond17" atomRefs="S-ADENOSYLMETHIONINE-atom13 S-ADENOSYLMETHIONINE-atom24" order="1"/> <bond id="S-ADENOSYLMETHIONINE-bond18" atomRefs="S-ADENOSYLMETHIONINE-atom13 S-ADENOSYLMETHIONINE-atom14" order="1"/> <bond id="S-ADENOSYLMETHIONINE-bond19" atomRefs="S-ADENOSYLMETHIONINE-atom12 S-ADENOSYLMETHIONINE-atom26" order="1"/> <bond id="S-ADENOSYLMETHIONINE-bond20" atomRefs="S-ADENOSYLMETHIONINE-atom12 S-ADENOSYLMETHIONINE-atom18" order="2"/> <bond id="S-ADENOSYLMETHIONINE-bond21" atomRefs="S-ADENOSYLMETHIONINE-atom11 S-ADENOSYLMETHIONINE-atom17" order="A"/> <bond id="S-ADENOSYLMETHIONINE-bond22" atomRefs="S-ADENOSYLMETHIONINE-atom16 S-ADENOSYLMETHIONINE-atom11" order="A"/> <bond id="S-ADENOSYLMETHIONINE-bond23" atomRefs="S-ADENOSYLMETHIONINE-atom29 S-ADENOSYLMETHIONINE-atom10" order="1"/> <bond id="S-ADENOSYLMETHIONINE-bond24" atomRefs="S-ADENOSYLMETHIONINE-atom28 S-ADENOSYLMETHIONINE-atom9" order="1"/> <bond id="S-ADENOSYLMETHIONINE-bond25" atomRefs="S-ADENOSYLMETHIONINE-atom8 S-ADENOSYLMETHIONINE-atom20" order="1"/> <bond id="S-ADENOSYLMETHIONINE-bond26" atomRefs="S-ADENOSYLMETHIONINE-atom7 S-ADENOSYLMETHIONINE-atom20" order="2"/> <bond id="S-ADENOSYLMETHIONINE-bond27" atomRefs="S-ADENOSYLMETHIONINE-atom24 S-ADENOSYLMETHIONINE-atom6" order="1"/> <bond id="S-ADENOSYLMETHIONINE-bond28" atomRefs="S-ADENOSYLMETHIONINE-atom5 S-ADENOSYLMETHIONINE-atom21" order="1"/> <bond id="S-ADENOSYLMETHIONINE-bond29" atomRefs="S-ADENOSYLMETHIONINE-atom4 S-ADENOSYLMETHIONINE-atom27" order="1"/> <bond id="S-ADENOSYLMETHIONINE-bond30" atomRefs="S-ADENOSYLMETHIONINE-atom3 S-ADENOSYLMETHIONINE-atom30" order="1"/> <bond id="S-ADENOSYLMETHIONINE-bond31" atomRefs="S-ADENOSYLMETHIONINE-atom2 S-ADENOSYLMETHIONINE-atom29" order="1"/> <bond id="S-ADENOSYLMETHIONINE-bond32" atomRefs="S-ADENOSYLMETHIONINE-atom1 S-ADENOSYLMETHIONINE-atom28" order="1"/> <formula concise="C 15 H 23 N 6 O 5 S 1" formalCharge="0"/> 399.444 C(CC(N)C(O)=O)[S+](C)CC1(O[CH]([CH](O)[CH]1O)N2(c3(c(N=C2)c(N)ncn3)))
<atom id="ADENOSYL-HOMO-CYS-atom1" elementType="H" x2="7.5977" y2="7.9585"/> <atom id="ADENOSYL-HOMO-CYS-atom2" elementType="H" x2="8.19" y2="7.4691"/> <atom id="ADENOSYL-HOMO-CYS-atom3" elementType="H" x2="10.0187" y2="7.4691"/> <atom id="ADENOSYL-HOMO-CYS-atom4" elementType="H" x2="10.6109" y2="7.9585"/> <atom id="ADENOSYL-HOMO-CYS-atom5" elementType="N" x2="7.9579" y2="0.0"/> <atom id="ADENOSYL-HOMO-CYS-atom6" elementType="N" x2="2.4466" y2="8.37"/> <atom id="ADENOSYL-HOMO-CYS-atom7" elementType="O" x2="1.2102" y2="4.9447"/> <atom id="ADENOSYL-HOMO-CYS-atom8" elementType="O" x2="0.0" y2="7.0055"/> <atom id="ADENOSYL-HOMO-CYS-atom9" elementType="O" x2="8.19" y2="9.1172"/> <atom id="ADENOSYL-HOMO-CYS-atom10" elementType="O" x2="10.0187" y2="9.1172"/> <atom id="ADENOSYL-HOMO-CYS-atom11" elementType="C" x2="6.6448" y2="3.6317"/> <atom id="ADENOSYL-HOMO-CYS-atom12" elementType="C" x2="11.6667" y2="2.8845"/> <atom id="ADENOSYL-HOMO-CYS-atom13" elementType="C" x2="4.7904" y2="6.9798"/> <atom id="ADENOSYL-HOMO-CYS-atom14" elementType="C" x2="3.6054" y2="6.3355"/> <atom id="ADENOSYL-HOMO-CYS-atom15" elementType="C" x2="7.5977" y2="6.2841"/> <atom id="ADENOSYL-HOMO-CYS-atom16" elementType="N" x2="6.6448" y2="2.138"/> <atom id="ADENOSYL-HOMO-CYS-atom17" elementType="N" x2="8.035" y2="4.4297"/> <atom id="ADENOSYL-HOMO-CYS-atom18" elementType="N" x2="10.5852" y2="1.468"/> <atom id="ADENOSYL-HOMO-CYS-atom19" elementType="O" x2="9.0657" y2="6.2584"/> <atom id="ADENOSYL-HOMO-CYS-atom20" elementType="S" x2="5.9748" y2="6.2841"/> <atom id="ADENOSYL-HOMO-CYS-atom21" elementType="C" x2="1.2102" y2="6.3355"/> <atom id="ADENOSYL-HOMO-CYS-atom22" elementType="C" x2="7.9579" y2="1.3908"/> <atom id="ADENOSYL-HOMO-CYS-atom23" elementType="C" x2="9.2201" y2="2.0865"/> <atom id="ADENOSYL-HOMO-CYS-atom24" elementType="C" x2="9.2201" y2="3.5802"/> <atom id="ADENOSYL-HOMO-CYS-atom25" elementType="C" x2="2.4466" y2="6.9798"/> <atom id="ADENOSYL-HOMO-CYS-atom26" elementType="N" x2="10.6109" y2="4.3011"/> <atom id="ADENOSYL-HOMO-CYS-atom27" elementType="C" x2="7.5977" y2="7.1084"/> <atom id="ADENOSYL-HOMO-CYS-atom28" elementType="C" x2="8.19" y2="8.2929"/> <atom id="ADENOSYL-HOMO-CYS-atom29" elementType="C" x2="10.0187" y2="8.2929"/> <atom id="ADENOSYL-HOMO-CYS-atom30" elementType="C" x2="10.6109" y2="7.1084"/> <bond id="ADENOSYL-HOMO-CYS-bond1" atomRefs="ADENOSYL-HOMO-CYS-atom29 ADENOSYL-HOMO-CYS-atom30" order="1"/> <bond id="ADENOSYL-HOMO-CYS-bond2" atomRefs="ADENOSYL-HOMO-CYS-atom28 ADENOSYL-HOMO-CYS-atom29" order="1"/> <bond id="ADENOSYL-HOMO-CYS-bond3" atomRefs="ADENOSYL-HOMO-CYS-atom27 ADENOSYL-HOMO-CYS-atom28" order="1"/> <bond id="ADENOSYL-HOMO-CYS-bond4" atomRefs="ADENOSYL-HOMO-CYS-atom30 ADENOSYL-HOMO-CYS-atom26" order="1"/> <bond id="ADENOSYL-HOMO-CYS-bond5" atomRefs="ADENOSYL-HOMO-CYS-atom24 ADENOSYL-HOMO-CYS-atom26" order="1"/> <bond id="ADENOSYL-HOMO-CYS-bond6" atomRefs="ADENOSYL-HOMO-CYS-atom24 ADENOSYL-HOMO-CYS-atom23" order="A"/> <bond id="ADENOSYL-HOMO-CYS-bond7" atomRefs="ADENOSYL-HOMO-CYS-atom23 ADENOSYL-HOMO-CYS-atom22" order="A"/> <bond id="ADENOSYL-HOMO-CYS-bond8" atomRefs="ADENOSYL-HOMO-CYS-atom21 ADENOSYL-HOMO-CYS-atom25" order="1"/> <bond id="ADENOSYL-HOMO-CYS-bond9" atomRefs="ADENOSYL-HOMO-CYS-atom19 ADENOSYL-HOMO-CYS-atom30" order="1"/> <bond id="ADENOSYL-HOMO-CYS-bond10" atomRefs="ADENOSYL-HOMO-CYS-atom19 ADENOSYL-HOMO-CYS-atom27" order="1"/> <bond id="ADENOSYL-HOMO-CYS-bond11" atomRefs="ADENOSYL-HOMO-CYS-atom18 ADENOSYL-HOMO-CYS-atom23" order="1"/> <bond id="ADENOSYL-HOMO-CYS-bond12" atomRefs="ADENOSYL-HOMO-CYS-atom17 ADENOSYL-HOMO-CYS-atom24" order="A"/> <bond id="ADENOSYL-HOMO-CYS-bond13" atomRefs="ADENOSYL-HOMO-CYS-atom22 ADENOSYL-HOMO-CYS-atom16" order="A"/> <bond id="ADENOSYL-HOMO-CYS-bond14" atomRefs="ADENOSYL-HOMO-CYS-atom27 ADENOSYL-HOMO-CYS-atom15" order="1"/> <bond id="ADENOSYL-HOMO-CYS-bond15" atomRefs="ADENOSYL-HOMO-CYS-atom15 ADENOSYL-HOMO-CYS-atom20" order="1"/> <bond id="ADENOSYL-HOMO-CYS-bond16" atomRefs="ADENOSYL-HOMO-CYS-atom14 ADENOSYL-HOMO-CYS-atom25" order="1"/> <bond id="ADENOSYL-HOMO-CYS-bond17" atomRefs="ADENOSYL-HOMO-CYS-atom13 ADENOSYL-HOMO-CYS-atom20" order="1"/> <bond id="ADENOSYL-HOMO-CYS-bond18" atomRefs="ADENOSYL-HOMO-CYS-atom13 ADENOSYL-HOMO-CYS-atom14" order="1"/> <bond id="ADENOSYL-HOMO-CYS-bond19" atomRefs="ADENOSYL-HOMO-CYS-atom12 ADENOSYL-HOMO-CYS-atom26" order="1"/> <bond id="ADENOSYL-HOMO-CYS-bond20" atomRefs="ADENOSYL-HOMO-CYS-atom12 ADENOSYL-HOMO-CYS-atom18" order="2"/> <bond id="ADENOSYL-HOMO-CYS-bond21" atomRefs="ADENOSYL-HOMO-CYS-atom11 ADENOSYL-HOMO-CYS-atom17" order="A"/> <bond id="ADENOSYL-HOMO-CYS-bond22" atomRefs="ADENOSYL-HOMO-CYS-atom16 ADENOSYL-HOMO-CYS-atom11" order="A"/> <bond id="ADENOSYL-HOMO-CYS-bond23" atomRefs="ADENOSYL-HOMO-CYS-atom29 ADENOSYL-HOMO-CYS-atom10" order="1"/> <bond id="ADENOSYL-HOMO-CYS-bond24" atomRefs="ADENOSYL-HOMO-CYS-atom28 ADENOSYL-HOMO-CYS-atom9" order="1"/> <bond id="ADENOSYL-HOMO-CYS-bond25" atomRefs="ADENOSYL-HOMO-CYS-atom8 ADENOSYL-HOMO-CYS-atom21" order="1"/> <bond id="ADENOSYL-HOMO-CYS-bond26" atomRefs="ADENOSYL-HOMO-CYS-atom7 ADENOSYL-HOMO-CYS-atom21" order="2"/> <bond id="ADENOSYL-HOMO-CYS-bond27" atomRefs="ADENOSYL-HOMO-CYS-atom25 ADENOSYL-HOMO-CYS-atom6" order="1"/> <bond id="ADENOSYL-HOMO-CYS-bond28" atomRefs="ADENOSYL-HOMO-CYS-atom5 ADENOSYL-HOMO-CYS-atom22" order="1"/> <bond id="ADENOSYL-HOMO-CYS-bond29" atomRefs="ADENOSYL-HOMO-CYS-atom4 ADENOSYL-HOMO-CYS-atom30" order="1"/> <bond id="ADENOSYL-HOMO-CYS-bond30" atomRefs="ADENOSYL-HOMO-CYS-atom3 ADENOSYL-HOMO-CYS-atom29" order="1"/> <bond id="ADENOSYL-HOMO-CYS-bond31" atomRefs="ADENOSYL-HOMO-CYS-atom2 ADENOSYL-HOMO-CYS-atom28" order="1"/> <bond id="ADENOSYL-HOMO-CYS-bond32" atomRefs="ADENOSYL-HOMO-CYS-atom1 ADENOSYL-HOMO-CYS-atom27" order="1"/> <formula concise="C 14 H 20 N 6 O 5 S 1" formalCharge="0"/> 384.409 C(CC(N)C(O)=O)SC[CH]1(O[CH]([CH](O)[CH]1O)N2(c3(c(N=C2)c(N)ncn3)))
NIL Click on the "CoA" group in the structure to see the full structure
<atom id="FERULOYL-COA-atom1" elementType="O" x2="0.29457366" y2="-0.50904393"/> <atom id="FERULOYL-COA-atom2" elementType="C" x2="-0.018087804" y2="-0.60465115"/> <atom id="FERULOYL-COA-atom3" elementType="C" x2="-0.059431493" y2="-0.067183435"/> <atom id="FERULOYL-COA-atom4" elementType="S" x2="0.3281654" y2="-0.28423768"/> <atom id="FERULOYL-COA-atom5" elementType="C" x2="0.88888896" y2="-0.4186046"/> <atom id="FERULOYL-COA-atom6" elementType="C" x2="0.92764866" y2="-0.501292"/> <atom id="FERULOYL-COA-atom7" elementType="C" x2="0.13695097" y2="-0.27648574"/> <atom id="FERULOYL-COA-atom8" elementType="O" x2="-0.7932817" y2="0.23772609"/> <atom id="FERULOYL-COA-atom9" elementType="P" x2="0.7622739" y2="-0.21705425"/> <atom id="FERULOYL-COA-atom10" elementType="O" x2="-0.09043926" y2="-0.3901809"/> <atom id="FERULOYL-COA-atom11" elementType="N" x2="0.74160206" y2="-1.0"/> <atom id="FERULOYL-COA-atom12" elementType="C" x2="-0.018087804" y2="-0.49354005"/> <atom id="FERULOYL-COA-atom13" elementType="C" x2="-0.09043926" y2="-0.27390176"/> <atom id="FERULOYL-COA-atom14" elementType="C" x2="-0.0981912" y2="-0.5555556"/> <atom id="FERULOYL-COA-atom15" elementType="C" x2="-0.27131784" y2="-0.26873386"/> <atom id="FERULOYL-COA-atom16" elementType="O" x2="0.7622739" y2="-0.10335916"/> <atom id="FERULOYL-COA-atom17" elementType="O" x2="0.88888896" y2="-0.35142118"/> <atom id="FERULOYL-COA-atom18" elementType="O" x2="0.7622739" y2="-0.33074933"/> <atom id="FERULOYL-COA-atom19" elementType="O" x2="-0.0981912" y2="-0.44186044"/> <atom id="FERULOYL-COA-atom20" elementType="C" x2="-0.503876" y2="0.0930233"/> <atom id="FERULOYL-COA-atom21" elementType="O" x2="-0.18604648" y2="-0.71834624"/> <atom id="FERULOYL-COA-atom22" elementType="C" x2="-0.18604648" y2="-0.60465115"/> <atom id="FERULOYL-COA-atom23" elementType="C" x2="0.7622739" y2="-0.4186046"/> <atom id="FERULOYL-COA-atom24" elementType="C" x2="0.062015533" y2="-0.5555556"/> <atom id="FERULOYL-COA-atom25" elementType="N" x2="-0.27131784" y2="-0.5555556"/> <atom id="FERULOYL-COA-atom26" elementType="C" x2="-0.018087804" y2="-0.71834624"/> <atom id="FERULOYL-COA-atom27" elementType="H" x2="0.71834636" y2="-0.43152452"/> <atom id="FERULOYL-COA-atom28" elementType="O" x2="0.6098192" y2="-0.62015504"/> <atom id="FERULOYL-COA-atom29" elementType="N" x2="0.9250647" y2="-0.875969"/> <atom id="FERULOYL-COA-atom30" elementType="C" x2="-0.8010336" y2="-0.072351396"/> <atom id="FERULOYL-COA-atom31" elementType="C" x2="-0.503876" y2="-0.24806201"/> <atom id="FERULOYL-COA-atom32" elementType="C" x2="0.6563308" y2="-0.72868216"/> <atom id="FERULOYL-COA-atom33" elementType="O" x2="0.82428944" y2="-0.55813956"/> <atom id="FERULOYL-COA-atom34" elementType="O" x2="0.3049096" y2="-0.0852713"/> <atom id="FERULOYL-COA-atom35" elementType="C" x2="-0.4005168" y2="-0.072351396"/> <atom id="FERULOYL-COA-atom36" elementType="H" x2="0.7622739" y2="-0.4883721"/> <atom id="FERULOYL-COA-atom37" elementType="C" x2="-0.18863046" y2="-0.21447027"/> <atom id="FERULOYL-COA-atom38" elementType="P" x2="0.50645995" y2="-0.62015504"/> <atom id="FERULOYL-COA-atom39" elementType="O" x2="0.16537476" y2="-0.62015504"/> <atom id="FERULOYL-COA-atom40" elementType="O" x2="0.6485789" y2="-0.21705425"/> <atom id="FERULOYL-COA-atom41" elementType="N" x2="0.6563308" y2="-0.8320413"/> <atom id="FERULOYL-COA-atom42" elementType="H" x2="0.92764866" y2="-0.43152452"/> <atom id="FERULOYL-COA-atom43" elementType="C" x2="0.22739017" y2="-0.34625322"/> <atom id="FERULOYL-COA-atom44" elementType="C" x2="0.71834636" y2="-0.501292"/> <atom id="FERULOYL-COA-atom45" elementType="C" x2="-0.7932817" y2="0.43410861"/> <atom id="FERULOYL-COA-atom46" elementType="O" x2="0.87596905" y2="-0.21705425"/> <atom id="FERULOYL-COA-atom47" elementType="C" x2="0.74160206" y2="-0.8863049"/> <atom id="FERULOYL-COA-atom48" elementType="O" x2="0.50645995" y2="-0.7338501"/> <atom id="FERULOYL-COA-atom49" elementType="O" x2="0.39276493" y2="-0.62015504"/> <atom id="FERULOYL-COA-atom50" elementType="O" x2="-1.0" y2="-0.072351396"/> <atom id="FERULOYL-COA-atom51" elementType="O" x2="0.29457366" y2="-0.7338501"/> <atom id="FERULOYL-COA-atom52" elementType="N" x2="0.031007767" y2="-0.21705425"/> <atom id="FERULOYL-COA-atom53" elementType="C" x2="0.83462536" y2="-0.8372093"/> <atom id="FERULOYL-COA-atom54" elementType="N" x2="0.92764866" y2="-0.6821705"/> <atom id="FERULOYL-COA-atom55" elementType="H" x2="0.88888896" y2="-0.4883721"/> <atom id="FERULOYL-COA-atom56" elementType="C" x2="0.71834636" y2="-0.62015504"/> <atom id="FERULOYL-COA-atom57" elementType="C" x2="0.997416" y2="-0.78294575"/> <atom id="FERULOYL-COA-atom58" elementType="C" x2="0.83462536" y2="-0.7338501"/> <atom id="FERULOYL-COA-atom59" elementType="N" x2="0.751938" y2="-0.67700255"/> <atom id="FERULOYL-COA-atom60" elementType="C" x2="-0.24289405" y2="-0.17829454"/> <atom id="FERULOYL-COA-atom61" elementType="O" x2="0.50645995" y2="-0.50904393"/> <atom id="FERULOYL-COA-atom62" elementType="P" x2="0.29457366" y2="-0.62015504"/> <atom id="FERULOYL-COA-atom63" elementType="C" x2="-0.6976744" y2="0.0930233"/> <atom id="FERULOYL-COA-atom64" elementType="C" x2="-0.6976744" y2="-0.24806201"/> <atom id="FERULOYL-COA-atom65" elementType="C" x2="0.13953495" y2="-0.19121444"/> <bond id="FERULOYL-COA-bond1" atomRefs="FERULOYL-COA-atom65 FERULOYL-COA-atom4" order="1"/> <bond id="FERULOYL-COA-bond2" atomRefs="FERULOYL-COA-atom64 FERULOYL-COA-atom30" order="A"/> <bond id="FERULOYL-COA-bond3" atomRefs="FERULOYL-COA-atom63 FERULOYL-COA-atom20" order="A"/> <bond id="FERULOYL-COA-bond4" atomRefs="FERULOYL-COA-atom62 FERULOYL-COA-atom49" order="1"/> <bond id="FERULOYL-COA-bond5" atomRefs="FERULOYL-COA-atom61 FERULOYL-COA-atom38" order="1"/> <bond id="FERULOYL-COA-bond6" atomRefs="FERULOYL-COA-atom60 FERULOYL-COA-atom3" order="2"/> <bond id="FERULOYL-COA-bond7" atomRefs="FERULOYL-COA-atom59 FERULOYL-COA-atom32" order="A"/> <bond id="FERULOYL-COA-bond8" atomRefs="FERULOYL-COA-atom58 FERULOYL-COA-atom54" order="A"/> <bond id="FERULOYL-COA-bond9" atomRefs="FERULOYL-COA-atom58 FERULOYL-COA-atom59" order="A"/> <bond id="FERULOYL-COA-bond10" atomRefs="FERULOYL-COA-atom57 FERULOYL-COA-atom29" order="A"/> <bond id="FERULOYL-COA-bond11" atomRefs="FERULOYL-COA-atom56 FERULOYL-COA-atom44" order="1"/> <bond id="FERULOYL-COA-bond12" atomRefs="FERULOYL-COA-atom55 FERULOYL-COA-atom5" order="1"/> <bond id="FERULOYL-COA-bond13" atomRefs="FERULOYL-COA-atom54 FERULOYL-COA-atom57" order="A"/> <bond id="FERULOYL-COA-bond14" atomRefs="FERULOYL-COA-atom53 FERULOYL-COA-atom58" order="A"/> <bond id="FERULOYL-COA-bond15" atomRefs="FERULOYL-COA-atom52 FERULOYL-COA-atom13" order="1"/> <bond id="FERULOYL-COA-bond16" atomRefs="FERULOYL-COA-atom51 FERULOYL-COA-atom62" order="2"/> <bond id="FERULOYL-COA-bond17" atomRefs="FERULOYL-COA-atom50 FERULOYL-COA-atom30" order="1"/> <bond id="FERULOYL-COA-bond18" atomRefs="FERULOYL-COA-atom49 FERULOYL-COA-atom38" order="1"/> <bond id="FERULOYL-COA-bond19" atomRefs="FERULOYL-COA-atom48 FERULOYL-COA-atom38" order="2"/> <bond id="FERULOYL-COA-bond20" atomRefs="FERULOYL-COA-atom47 FERULOYL-COA-atom53" order="A"/> <bond id="FERULOYL-COA-bond21" atomRefs="FERULOYL-COA-atom46 FERULOYL-COA-atom9" order="1"/> <bond id="FERULOYL-COA-bond22" atomRefs="FERULOYL-COA-atom44 FERULOYL-COA-atom23" order="1"/> <bond id="FERULOYL-COA-bond23" atomRefs="FERULOYL-COA-atom44 FERULOYL-COA-atom33" order="1"/> <bond id="FERULOYL-COA-bond24" atomRefs="FERULOYL-COA-atom43 FERULOYL-COA-atom7" order="1"/> <bond id="FERULOYL-COA-bond25" atomRefs="FERULOYL-COA-atom42 FERULOYL-COA-atom6" order="1"/> <bond id="FERULOYL-COA-bond26" atomRefs="FERULOYL-COA-atom41 FERULOYL-COA-atom47" order="A"/> <bond id="FERULOYL-COA-bond27" atomRefs="FERULOYL-COA-atom40 FERULOYL-COA-atom9" order="2"/> <bond id="FERULOYL-COA-bond28" atomRefs="FERULOYL-COA-atom39 FERULOYL-COA-atom62" order="1"/> <bond id="FERULOYL-COA-bond29" atomRefs="FERULOYL-COA-atom38 FERULOYL-COA-atom28" order="1"/> <bond id="FERULOYL-COA-bond30" atomRefs="FERULOYL-COA-atom37 FERULOYL-COA-atom15" order="1"/> <bond id="FERULOYL-COA-bond31" atomRefs="FERULOYL-COA-atom36 FERULOYL-COA-atom23" order="1"/> <bond id="FERULOYL-COA-bond32" atomRefs="FERULOYL-COA-atom35 FERULOYL-COA-atom60" order="1"/> <bond id="FERULOYL-COA-bond33" atomRefs="FERULOYL-COA-atom35 FERULOYL-COA-atom31" order="A"/> <bond id="FERULOYL-COA-bond34" atomRefs="FERULOYL-COA-atom34 FERULOYL-COA-atom65" order="2"/> <bond id="FERULOYL-COA-bond35" atomRefs="FERULOYL-COA-atom33 FERULOYL-COA-atom6" order="1"/> <bond id="FERULOYL-COA-bond36" atomRefs="FERULOYL-COA-atom32 FERULOYL-COA-atom41" order="A"/> <bond id="FERULOYL-COA-bond37" atomRefs="FERULOYL-COA-atom31 FERULOYL-COA-atom64" order="A"/> <bond id="FERULOYL-COA-bond38" atomRefs="FERULOYL-COA-atom30 FERULOYL-COA-atom63" order="A"/> <bond id="FERULOYL-COA-bond39" atomRefs="FERULOYL-COA-atom29 FERULOYL-COA-atom53" order="A"/> <bond id="FERULOYL-COA-bond40" atomRefs="FERULOYL-COA-atom28 FERULOYL-COA-atom56" order="1"/> <bond id="FERULOYL-COA-bond41" atomRefs="FERULOYL-COA-atom27 FERULOYL-COA-atom44" order="1"/> <bond id="FERULOYL-COA-bond42" atomRefs="FERULOYL-COA-atom26 FERULOYL-COA-atom2" order="1"/> <bond id="FERULOYL-COA-bond43" atomRefs="FERULOYL-COA-atom25 FERULOYL-COA-atom22" order="1"/> <bond id="FERULOYL-COA-bond44" atomRefs="FERULOYL-COA-atom24 FERULOYL-COA-atom39" order="1"/> <bond id="FERULOYL-COA-bond45" atomRefs="FERULOYL-COA-atom23 FERULOYL-COA-atom5" order="1"/> <bond id="FERULOYL-COA-bond46" atomRefs="FERULOYL-COA-atom22 FERULOYL-COA-atom14" order="1"/> <bond id="FERULOYL-COA-bond47" atomRefs="FERULOYL-COA-atom21 FERULOYL-COA-atom22" order="2"/> <bond id="FERULOYL-COA-bond48" atomRefs="FERULOYL-COA-atom20 FERULOYL-COA-atom35" order="A"/> <bond id="FERULOYL-COA-bond49" atomRefs="FERULOYL-COA-atom19 FERULOYL-COA-atom14" order="1"/> <bond id="FERULOYL-COA-bond50" atomRefs="FERULOYL-COA-atom18 FERULOYL-COA-atom23" order="1"/> <bond id="FERULOYL-COA-bond51" atomRefs="FERULOYL-COA-atom18 FERULOYL-COA-atom9" order="1"/> <bond id="FERULOYL-COA-bond52" atomRefs="FERULOYL-COA-atom17 FERULOYL-COA-atom5" order="1"/> <bond id="FERULOYL-COA-bond53" atomRefs="FERULOYL-COA-atom16 FERULOYL-COA-atom9" order="1"/> <bond id="FERULOYL-COA-bond54" atomRefs="FERULOYL-COA-atom15 FERULOYL-COA-atom25" order="1"/> <bond id="FERULOYL-COA-bond55" atomRefs="FERULOYL-COA-atom14 FERULOYL-COA-atom2" order="1"/> <bond id="FERULOYL-COA-bond56" atomRefs="FERULOYL-COA-atom13 FERULOYL-COA-atom37" order="1"/> <bond id="FERULOYL-COA-bond57" atomRefs="FERULOYL-COA-atom12 FERULOYL-COA-atom2" order="1"/> <bond id="FERULOYL-COA-bond58" atomRefs="FERULOYL-COA-atom11 FERULOYL-COA-atom47" order="1"/> <bond id="FERULOYL-COA-bond59" atomRefs="FERULOYL-COA-atom10 FERULOYL-COA-atom13" order="2"/> <bond id="FERULOYL-COA-bond60" atomRefs="FERULOYL-COA-atom8 FERULOYL-COA-atom45" order="1"/> <bond id="FERULOYL-COA-bond61" atomRefs="FERULOYL-COA-atom8 FERULOYL-COA-atom63" order="1"/> <bond id="FERULOYL-COA-bond62" atomRefs="FERULOYL-COA-atom7 FERULOYL-COA-atom52" order="1"/> <bond id="FERULOYL-COA-bond63" atomRefs="FERULOYL-COA-atom6 FERULOYL-COA-atom5" order="1"/> <bond id="FERULOYL-COA-bond64" atomRefs="FERULOYL-COA-atom6 FERULOYL-COA-atom54" order="1"/> <bond id="FERULOYL-COA-bond65" atomRefs="FERULOYL-COA-atom4 FERULOYL-COA-atom43" order="1"/> <bond id="FERULOYL-COA-bond66" atomRefs="FERULOYL-COA-atom3 FERULOYL-COA-atom65" order="1"/> <bond id="FERULOYL-COA-bond67" atomRefs="FERULOYL-COA-atom2 FERULOYL-COA-atom24" order="1"/> <bond id="FERULOYL-COA-bond68" atomRefs="FERULOYL-COA-atom1 FERULOYL-COA-atom62" order="1"/> <formula concise="C 31 H 44 N 7 O 19 P 3 S 1" formalCharge="0"/> 943.705 [CH]3(n1(c2(c(nc1)c(N)ncn2)))(O[CH]([CH]([CH](O)3)OP(=O)(O)O)COP(=O)(O)OP(O)(=O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)C=Cc4(cc(OC)c(O)cc4))
Trans-caffeoyl-CoA 3-O-methyltransferase
<atom id="HOMO-CYS-atom1" elementType="C" x2="0.6" y2="-0.5405"/> <atom id="HOMO-CYS-atom2" elementType="C" x2="-0.60331" y2="-0.30909"/> <atom id="HOMO-CYS-atom3" elementType="S" x2="0.99669" y2="-0.30909"/> <atom id="HOMO-CYS-atom4" elementType="O" x2="-1.0" y2="-0.5405"/> <atom id="HOMO-CYS-atom5" elementType="O" x2="-0.60331" y2="0.15041"/> <atom id="HOMO-CYS-atom6" elementType="C" x2="0.2" y2="-0.30909"/> <atom id="HOMO-CYS-atom7" elementType="C" x2="-0.2" y2="-0.5405"/> <atom id="HOMO-CYS-atom8" elementType="N" x2="-0.2" y2="-1.0"/> <bond id="HOMO-CYS-bond1" atomRefs="HOMO-CYS-atom8 HOMO-CYS-atom7" order="1"/> <bond id="HOMO-CYS-bond2" atomRefs="HOMO-CYS-atom7 HOMO-CYS-atom2" order="1"/> <bond id="HOMO-CYS-bond3" atomRefs="HOMO-CYS-atom6 HOMO-CYS-atom7" order="1"/> <bond id="HOMO-CYS-bond4" atomRefs="HOMO-CYS-atom5 HOMO-CYS-atom2" order="2"/> <bond id="HOMO-CYS-bond5" atomRefs="HOMO-CYS-atom4 HOMO-CYS-atom2" order="1"/> <bond id="HOMO-CYS-bond6" atomRefs="HOMO-CYS-atom3 HOMO-CYS-atom1" order="1"/> <bond id="HOMO-CYS-bond7" atomRefs="HOMO-CYS-atom1 HOMO-CYS-atom6" order="1"/> <formula concise="C 4 H 9 N 1 O 2 S 1" formalCharge="0"/> 135.181 C(S)CC(N)C(=O)O
5-methyltetrahydropteroyltriglutamate--homocysteine S-methyltransferase
<atom id="MET-atom1" elementType="C" x2="0.0" y2="-0.7901"/> <atom id="MET-atom2" elementType="N" x2="6.06" y2="0.0"/> <atom id="MET-atom3" elementType="O" x2="6.07" y2="-2.84"/> <atom id="MET-atom4" elementType="O" x2="3.6502" y2="-2.8199"/> <atom id="MET-atom5" elementType="C" x2="2.45" y2="-0.75"/> <atom id="MET-atom6" elementType="C" x2="3.6301" y2="-0.0401"/> <atom id="MET-atom7" elementType="S" x2="1.2099" y2="-0.08"/> <atom id="MET-atom8" elementType="C" x2="4.8601" y2="-2.1298"/> <atom id="MET-atom9" elementType="C" x2="4.8601" y2="-0.7199"/> <bond id="MET-bond1" atomRefs="MET-atom8 MET-atom9" order="1"/> <bond id="MET-bond2" atomRefs="MET-atom6 MET-atom9" order="1"/> <bond id="MET-bond3" atomRefs="MET-atom5 MET-atom7" order="1"/> <bond id="MET-bond4" atomRefs="MET-atom5 MET-atom6" order="1"/> <bond id="MET-bond5" atomRefs="MET-atom4 MET-atom8" order="1"/> <bond id="MET-bond6" atomRefs="MET-atom3 MET-atom8" order="2"/> <bond id="MET-bond7" atomRefs="MET-atom9 MET-atom2" order="1"/> <bond id="MET-bond8" atomRefs="MET-atom1 MET-atom7" order="1"/> <formula concise="C 5 H 11 N 1 O 2 S 1" formalCharge="0"/> 149.207 C(SC)CC(N)C(O)=O
Tetrahydropteroyltriglutamate methyltransferase
<atom id="CPD-397-atom1" elementType="N" x2="4.5606" y2="3.9803"/> <atom id="CPD-397-atom2" elementType="C" x2="4.5519" y2="3.1534"/> <atom id="CPD-397-atom3" elementType="C" x2="5.2612" y2="2.9043"/> <atom id="CPD-397-atom4" elementType="O" x2="5.2612" y2="2.1655"/> <atom id="CPD-397-atom5" elementType="C" x2="3.9256" y2="2.7347"/> <atom id="CPD-397-atom6" elementType="C" x2="3.217" y2="2.9894"/> <atom id="CPD-397-atom7" elementType="S" x2="2.5384" y2="2.6639" formalCharge="1"/> <atom id="CPD-397-atom8" elementType="C" x2="1.7439" y2="3.1748"/> <atom id="CPD-397-atom9" elementType="O" x2="5.8731" y2="3.3379"/> <atom id="CPD-397-atom10" elementType="C" x2="2.551" y2="1.6709"/> <bond id="CPD-397-bond1" atomRefs="CPD-397-atom7 CPD-397-atom10" order="1"/> <bond id="CPD-397-bond2" atomRefs="CPD-397-atom3 CPD-397-atom9" order="1"/> <bond id="CPD-397-bond3" atomRefs="CPD-397-atom6 CPD-397-atom7" order="1"/> <bond id="CPD-397-bond4" atomRefs="CPD-397-atom7 CPD-397-atom8" order="1"/> <bond id="CPD-397-bond5" atomRefs="CPD-397-atom6 CPD-397-atom5" order="1"/> <bond id="CPD-397-bond6" atomRefs="CPD-397-atom2 CPD-397-atom5" order="1"/> <bond id="CPD-397-bond7" atomRefs="CPD-397-atom3 CPD-397-atom4" order="2"/> <bond id="CPD-397-bond8" atomRefs="CPD-397-atom2 CPD-397-atom3" order="1"/> <bond id="CPD-397-bond9" atomRefs="CPD-397-atom2 CPD-397-atom1" order="1"/> <formula concise="C 6 H 14 N 1 O 2 S 1" formalCharge="0"/> 164.242 C(=O)(O)C(N)CC[S+](C)C
<atom id="5-METHYL-THF-atom1" elementType="H" x2="0.0" y2="-2.839"/> <atom id="5-METHYL-THF-atom2" elementType="C" x2="4.8213" y2="-4.223"/> <atom id="5-METHYL-THF-atom3" elementType="N" x2="0.0873" y2="0.0"/> <atom id="5-METHYL-THF-atom4" elementType="O" x2="15.2238" y2="-9.7223"/> <atom id="5-METHYL-THF-atom5" elementType="O" x2="14.9687" y2="-2.6642"/> <atom id="5-METHYL-THF-atom6" elementType="O" x2="12.2754" y2="-2.9193"/> <atom id="5-METHYL-THF-atom7" elementType="O" x2="2.383" y2="-4.223"/> <atom id="5-METHYL-THF-atom8" elementType="O" x2="17.2361" y2="-8.5035"/> <atom id="5-METHYL-THF-atom9" elementType="O" x2="17.0661" y2="-3.8546"/> <atom id="5-METHYL-THF-atom10" elementType="C" x2="9.016" y2="-6.3212"/> <atom id="5-METHYL-THF-atom11" elementType="C" x2="9.0727" y2="-3.9396"/> <atom id="5-METHYL-THF-atom12" elementType="C" x2="10.4331" y2="-6.3212"/> <atom id="5-METHYL-THF-atom13" elementType="C" x2="10.4331" y2="-3.9396"/> <atom id="5-METHYL-THF-atom14" elementType="C" x2="15.1104" y2="-7.3415"/> <atom id="5-METHYL-THF-atom15" elementType="C" x2="15.734" y2="-6.2078"/> <atom id="5-METHYL-THF-atom16" elementType="C" x2="7.032" y2="-2.8626"/> <atom id="5-METHYL-THF-atom17" elementType="C" x2="5.9834" y2="-0.8219"/> <atom id="5-METHYL-THF-atom18" elementType="N" x2="2.383" y2="-0.1134"/> <atom id="5-METHYL-THF-atom19" elementType="N" x2="7.032" y2="-5.1016"/> <atom id="5-METHYL-THF-atom20" elementType="N" x2="4.8213" y2="-0.1134"/> <atom id="5-METHYL-THF-atom21" elementType="N" x2="13.75" y2="-5.1016"/> <atom id="5-METHYL-THF-atom22" elementType="C" x2="15.8473" y2="-8.5035"/> <atom id="5-METHYL-THF-atom23" elementType="C" x2="15.6773" y2="-3.8546"/> <atom id="5-METHYL-THF-atom24" elementType="C" x2="12.2754" y2="-4.308"/> <atom id="5-METHYL-THF-atom25" elementType="C" x2="8.3358" y2="-5.1016"/> <atom id="5-METHYL-THF-atom26" elementType="C" x2="1.221" y2="-0.8219"/> <atom id="5-METHYL-THF-atom27" elementType="C" x2="11.085" y2="-5.1592"/> <atom id="5-METHYL-THF-atom28" elementType="C" x2="3.6301" y2="-0.8219"/> <atom id="5-METHYL-THF-atom29" elementType="C" x2="3.6301" y2="-2.154"/> <atom id="5-METHYL-THF-atom30" elementType="C" x2="2.383" y2="-2.8342"/> <atom id="5-METHYL-THF-atom31" elementType="C" x2="15.0254" y2="-5.1016"/> <atom id="5-METHYL-THF-atom32" elementType="C" x2="5.9834" y2="-2.154"/> <atom id="5-METHYL-THF-atom33" elementType="N" x2="4.8213" y2="-2.8342"/> <atom id="5-METHYL-THF-atom34" elementType="N" x2="1.221" y2="-2.154"/> <bond id="5-METHYL-THF-bond1" atomRefs="5-METHYL-THF-atom32 5-METHYL-THF-atom33" order="1"/> <bond id="5-METHYL-THF-bond2" atomRefs="5-METHYL-THF-atom34 5-METHYL-THF-atom30" order="A"/> <bond id="5-METHYL-THF-bond3" atomRefs="5-METHYL-THF-atom29 5-METHYL-THF-atom33" order="1"/> <bond id="5-METHYL-THF-bond4" atomRefs="5-METHYL-THF-atom30 5-METHYL-THF-atom29" order="A"/> <bond id="5-METHYL-THF-bond5" atomRefs="5-METHYL-THF-atom29 5-METHYL-THF-atom28" order="A"/> <bond id="5-METHYL-THF-bond6" atomRefs="5-METHYL-THF-atom26 5-METHYL-THF-atom34" order="A"/> <bond id="5-METHYL-THF-bond7" atomRefs="5-METHYL-THF-atom24 5-METHYL-THF-atom27" order="1"/> <bond id="5-METHYL-THF-bond8" atomRefs="5-METHYL-THF-atom23 5-METHYL-THF-atom31" order="1"/> <bond id="5-METHYL-THF-bond9" atomRefs="5-METHYL-THF-atom21 5-METHYL-THF-atom31" order="1"/> <bond id="5-METHYL-THF-bond10" atomRefs="5-METHYL-THF-atom21 5-METHYL-THF-atom24" order="1"/> <bond id="5-METHYL-THF-bond11" atomRefs="5-METHYL-THF-atom20 5-METHYL-THF-atom28" order="1"/> <bond id="5-METHYL-THF-bond12" atomRefs="5-METHYL-THF-atom19 5-METHYL-THF-atom25" order="1"/> <bond id="5-METHYL-THF-bond13" atomRefs="5-METHYL-THF-atom28 5-METHYL-THF-atom18" order="A"/> <bond id="5-METHYL-THF-bond14" atomRefs="5-METHYL-THF-atom18 5-METHYL-THF-atom26" order="A"/> <bond id="5-METHYL-THF-bond15" atomRefs="5-METHYL-THF-atom17 5-METHYL-THF-atom32" order="1"/> <bond id="5-METHYL-THF-bond16" atomRefs="5-METHYL-THF-atom17 5-METHYL-THF-atom20" order="1"/> <bond id="5-METHYL-THF-bond17" atomRefs="5-METHYL-THF-atom32 5-METHYL-THF-atom16" order="1"/> <bond id="5-METHYL-THF-bond18" atomRefs="5-METHYL-THF-atom16 5-METHYL-THF-atom19" order="1"/> <bond id="5-METHYL-THF-bond19" atomRefs="5-METHYL-THF-atom31 5-METHYL-THF-atom15" order="1"/> <bond id="5-METHYL-THF-bond20" atomRefs="5-METHYL-THF-atom14 5-METHYL-THF-atom22" order="1"/> <bond id="5-METHYL-THF-bond21" atomRefs="5-METHYL-THF-atom14 5-METHYL-THF-atom15" order="1"/> <bond id="5-METHYL-THF-bond22" atomRefs="5-METHYL-THF-atom13 5-METHYL-THF-atom27" order="A"/> <bond id="5-METHYL-THF-bond23" atomRefs="5-METHYL-THF-atom27 5-METHYL-THF-atom12" order="A"/> <bond id="5-METHYL-THF-bond24" atomRefs="5-METHYL-THF-atom25 5-METHYL-THF-atom11" order="A"/> <bond id="5-METHYL-THF-bond25" atomRefs="5-METHYL-THF-atom11 5-METHYL-THF-atom13" order="A"/> <bond id="5-METHYL-THF-bond26" atomRefs="5-METHYL-THF-atom10 5-METHYL-THF-atom25" order="A"/> <bond id="5-METHYL-THF-bond27" atomRefs="5-METHYL-THF-atom12 5-METHYL-THF-atom10" order="A"/> <bond id="5-METHYL-THF-bond28" atomRefs="5-METHYL-THF-atom9 5-METHYL-THF-atom23" order="1"/> <bond id="5-METHYL-THF-bond29" atomRefs="5-METHYL-THF-atom8 5-METHYL-THF-atom22" order="1"/> <bond id="5-METHYL-THF-bond30" atomRefs="5-METHYL-THF-atom7 5-METHYL-THF-atom30" order="2"/> <bond id="5-METHYL-THF-bond31" atomRefs="5-METHYL-THF-atom6 5-METHYL-THF-atom24" order="2"/> <bond id="5-METHYL-THF-bond32" atomRefs="5-METHYL-THF-atom5 5-METHYL-THF-atom23" order="2"/> <bond id="5-METHYL-THF-bond33" atomRefs="5-METHYL-THF-atom4 5-METHYL-THF-atom22" order="2"/> <bond id="5-METHYL-THF-bond34" atomRefs="5-METHYL-THF-atom3 5-METHYL-THF-atom26" order="1"/> <bond id="5-METHYL-THF-bond35" atomRefs="5-METHYL-THF-atom2 5-METHYL-THF-atom33" order="1"/> <bond id="5-METHYL-THF-bond36" atomRefs="5-METHYL-THF-atom1 5-METHYL-THF-atom34" order="1"/> <formula concise="C 20 H 25 N 7 O 6" formalCharge="0"/> 459.461 C(C1(N(C)c2(c(NC1)nc(N)[nH]c2=O)))Nc3(ccc(cc3)C(=O)NC(C(O)=O)CCC(O)=O)
N5-methyltetrahydropteroyl mono-L-glutamate
<atom id="MG-PROTOPORPHYRIN-atom1" elementType="C" x2="1.7047" y2="-0.0239"/> <atom id="MG-PROTOPORPHYRIN-atom2" elementType="C" x2="0.8399" y2="0.9929"/> <atom id="MG-PROTOPORPHYRIN-atom3" elementType="C" x2="1.6028" y2="1.307"/> <atom id="MG-PROTOPORPHYRIN-atom4" elementType="C" x2="2.1372" y2="0.6786"/> <atom id="MG-PROTOPORPHYRIN-atom5" elementType="C" x2="-1.903" y2="0.7977"/> <atom id="MG-PROTOPORPHYRIN-atom6" elementType="C" x2="-1.3324" y2="1.3935"/> <atom id="MG-PROTOPORPHYRIN-atom7" elementType="C" x2="-0.5894" y2="1.035"/> <atom id="MG-PROTOPORPHYRIN-atom8" elementType="C" x2="-1.5126" y2="0.0709"/> <atom id="MG-PROTOPORPHYRIN-atom9" elementType="C" x2="0.1374" y2="1.4254"/> <atom id="MG-PROTOPORPHYRIN-atom10" elementType="C" x2="-1.5462" y2="-1.4915"/> <atom id="MG-PROTOPORPHYRIN-atom11" elementType="C" x2="-0.6655" y2="-2.4945"/> <atom id="MG-PROTOPORPHYRIN-atom12" elementType="C" x2="-1.4233" y2="-2.8206"/> <atom id="MG-PROTOPORPHYRIN-atom13" elementType="C" x2="-1.9676" y2="-2.2008"/> <atom id="MG-PROTOPORPHYRIN-atom14" elementType="C" x2="2.074" y2="-2.2559"/> <atom id="MG-PROTOPORPHYRIN-atom15" elementType="C" x2="1.5129" y2="-2.8607"/> <atom id="MG-PROTOPORPHYRIN-atom16" elementType="C" x2="0.7643" y2="-2.514"/> <atom id="MG-PROTOPORPHYRIN-atom17" elementType="C" x2="1.6721" y2="-1.5354"/> <atom id="MG-PROTOPORPHYRIN-atom18" elementType="C" x2="0.0438" y2="-2.9159"/> <atom id="MG-PROTOPORPHYRIN-atom19" elementType="C" x2="2.0188" y2="-0.7868"/> <atom id="MG-PROTOPORPHYRIN-atom20" elementType="C" x2="-1.8711" y2="-0.6722"/> <atom id="MG-PROTOPORPHYRIN-atom21" elementType="C" x2="2.9598" y2="0.7416"/> <atom id="MG-PROTOPORPHYRIN-atom22" elementType="C" x2="2.8931" y2="-2.3543"/> <atom id="MG-PROTOPORPHYRIN-atom23" elementType="C" x2="3.2174" y2="-3.1129"/> <atom id="MG-PROTOPORPHYRIN-atom24" elementType="C" x2="1.6724" y2="-3.6702"/> <atom id="MG-PROTOPORPHYRIN-atom25" elementType="C" x2="-1.6048" y2="-3.6254"/> <atom id="MG-PROTOPORPHYRIN-atom26" elementType="C" x2="-2.4298" y2="-3.6254"/> <atom id="MG-PROTOPORPHYRIN-atom27" elementType="C" x2="-2.7891" y2="-2.2768"/> <atom id="MG-PROTOPORPHYRIN-atom28" elementType="C" x2="-2.7204" y2="0.909"/> <atom id="MG-PROTOPORPHYRIN-atom29" elementType="C" x2="-1.4791" y2="2.2054"/> <atom id="MG-PROTOPORPHYRIN-atom30" elementType="C" x2="-2.2555" y2="2.4843"/> <atom id="MG-PROTOPORPHYRIN-atom31" elementType="C" x2="-2.4022" y2="3.2961"/> <atom id="MG-PROTOPORPHYRIN-atom32" elementType="C" x2="1.797" y2="2.1088"/> <atom id="MG-PROTOPORPHYRIN-atom33" elementType="C" x2="2.5886" y2="2.3415"/> <atom id="MG-PROTOPORPHYRIN-atom34" elementType="C" x2="2.7828" y2="3.1433"/> <atom id="MG-PROTOPORPHYRIN-atom35" elementType="N" x2="-0.7007" y2="0.2176"/> <atom id="MG-PROTOPORPHYRIN-atom36" elementType="N" x2="-0.7415" y2="-1.6731"/> <atom id="MG-PROTOPORPHYRIN-atom37" elementType="N" x2="0.8627" y2="-1.6949"/> <atom id="MG-PROTOPORPHYRIN-atom38" elementType="N" x2="0.9029" y2="0.1704"/> <atom id="MG-PROTOPORPHYRIN-atom39" elementType="MG" x2="0.0937" y2="-0.7813"/> <atom id="MG-PROTOPORPHYRIN-atom40" elementType="O" x2="-1.7725" y2="3.8291"/> <atom id="MG-PROTOPORPHYRIN-atom41" elementType="O" x2="-3.1787" y2="3.575"/> <atom id="MG-PROTOPORPHYRIN-atom42" elementType="O" x2="2.1856" y2="3.7124"/> <atom id="MG-PROTOPORPHYRIN-atom43" elementType="O" x2="3.5743" y2="3.3759"/> <bond id="MG-PROTOPORPHYRIN-bond1" atomRefs="MG-PROTOPORPHYRIN-atom37 MG-PROTOPORPHYRIN-atom39" order="COORDINATION"/> <bond id="MG-PROTOPORPHYRIN-bond2" atomRefs="MG-PROTOPORPHYRIN-atom35 MG-PROTOPORPHYRIN-atom39" order="COORDINATION"/> <bond id="MG-PROTOPORPHYRIN-bond3" atomRefs="MG-PROTOPORPHYRIN-atom38 MG-PROTOPORPHYRIN-atom39" order="1"/> <bond id="MG-PROTOPORPHYRIN-bond4" atomRefs="MG-PROTOPORPHYRIN-atom36 MG-PROTOPORPHYRIN-atom39" order="1"/> <bond id="MG-PROTOPORPHYRIN-bond5" atomRefs="MG-PROTOPORPHYRIN-atom34 MG-PROTOPORPHYRIN-atom42" order="2"/> <bond id="MG-PROTOPORPHYRIN-bond6" atomRefs="MG-PROTOPORPHYRIN-atom34 MG-PROTOPORPHYRIN-atom43" order="1"/> <bond id="MG-PROTOPORPHYRIN-bond7" atomRefs="MG-PROTOPORPHYRIN-atom33 MG-PROTOPORPHYRIN-atom34" order="1"/> <bond id="MG-PROTOPORPHYRIN-bond8" atomRefs="MG-PROTOPORPHYRIN-atom32 MG-PROTOPORPHYRIN-atom33" order="1"/> <bond id="MG-PROTOPORPHYRIN-bond9" atomRefs="MG-PROTOPORPHYRIN-atom31 MG-PROTOPORPHYRIN-atom41" order="1"/> <bond id="MG-PROTOPORPHYRIN-bond10" atomRefs="MG-PROTOPORPHYRIN-atom31 MG-PROTOPORPHYRIN-atom40" order="2"/> <bond id="MG-PROTOPORPHYRIN-bond11" atomRefs="MG-PROTOPORPHYRIN-atom30 MG-PROTOPORPHYRIN-atom31" order="1"/> <bond id="MG-PROTOPORPHYRIN-bond12" atomRefs="MG-PROTOPORPHYRIN-atom29 MG-PROTOPORPHYRIN-atom30" order="1"/> <bond id="MG-PROTOPORPHYRIN-bond13" atomRefs="MG-PROTOPORPHYRIN-atom6 MG-PROTOPORPHYRIN-atom29" order="1"/> <bond id="MG-PROTOPORPHYRIN-bond14" atomRefs="MG-PROTOPORPHYRIN-atom5 MG-PROTOPORPHYRIN-atom28" order="1"/> <bond id="MG-PROTOPORPHYRIN-bond15" atomRefs="MG-PROTOPORPHYRIN-atom13 MG-PROTOPORPHYRIN-atom27" order="1"/> <bond id="MG-PROTOPORPHYRIN-bond16" atomRefs="MG-PROTOPORPHYRIN-atom25 MG-PROTOPORPHYRIN-atom26" order="2"/> <bond id="MG-PROTOPORPHYRIN-bond17" atomRefs="MG-PROTOPORPHYRIN-atom12 MG-PROTOPORPHYRIN-atom25" order="1"/> <bond id="MG-PROTOPORPHYRIN-bond18" atomRefs="MG-PROTOPORPHYRIN-atom15 MG-PROTOPORPHYRIN-atom24" order="1"/> <bond id="MG-PROTOPORPHYRIN-bond19" atomRefs="MG-PROTOPORPHYRIN-atom22 MG-PROTOPORPHYRIN-atom23" order="2"/> <bond id="MG-PROTOPORPHYRIN-bond20" atomRefs="MG-PROTOPORPHYRIN-atom14 MG-PROTOPORPHYRIN-atom22" order="1"/> <bond id="MG-PROTOPORPHYRIN-bond21" atomRefs="MG-PROTOPORPHYRIN-atom4 MG-PROTOPORPHYRIN-atom21" order="1"/> <bond id="MG-PROTOPORPHYRIN-bond22" atomRefs="MG-PROTOPORPHYRIN-atom3 MG-PROTOPORPHYRIN-atom32" order="1"/> <bond id="MG-PROTOPORPHYRIN-bond23" atomRefs="MG-PROTOPORPHYRIN-atom17 MG-PROTOPORPHYRIN-atom19" order="1"/> <bond id="MG-PROTOPORPHYRIN-bond24" atomRefs="MG-PROTOPORPHYRIN-atom37 MG-PROTOPORPHYRIN-atom17" order="2"/> <bond id="MG-PROTOPORPHYRIN-bond25" atomRefs="MG-PROTOPORPHYRIN-atom16 MG-PROTOPORPHYRIN-atom18" order="2"/> <bond id="MG-PROTOPORPHYRIN-bond26" atomRefs="MG-PROTOPORPHYRIN-atom16 MG-PROTOPORPHYRIN-atom37" order="1"/> <bond id="MG-PROTOPORPHYRIN-bond27" atomRefs="MG-PROTOPORPHYRIN-atom15 MG-PROTOPORPHYRIN-atom16" order="1"/> <bond id="MG-PROTOPORPHYRIN-bond28" atomRefs="MG-PROTOPORPHYRIN-atom14 MG-PROTOPORPHYRIN-atom17" order="1"/> <bond id="MG-PROTOPORPHYRIN-bond29" atomRefs="MG-PROTOPORPHYRIN-atom14 MG-PROTOPORPHYRIN-atom15" order="2"/> <bond id="MG-PROTOPORPHYRIN-bond30" atomRefs="MG-PROTOPORPHYRIN-atom12 MG-PROTOPORPHYRIN-atom13" order="A"/> <bond id="MG-PROTOPORPHYRIN-bond31" atomRefs="MG-PROTOPORPHYRIN-atom11 MG-PROTOPORPHYRIN-atom18" order="1"/> <bond id="MG-PROTOPORPHYRIN-bond32" atomRefs="MG-PROTOPORPHYRIN-atom11 MG-PROTOPORPHYRIN-atom12" order="A"/> <bond id="MG-PROTOPORPHYRIN-bond33" atomRefs="MG-PROTOPORPHYRIN-atom36 MG-PROTOPORPHYRIN-atom11" order="A"/> <bond id="MG-PROTOPORPHYRIN-bond34" atomRefs="MG-PROTOPORPHYRIN-atom10 MG-PROTOPORPHYRIN-atom20" order="1"/> <bond id="MG-PROTOPORPHYRIN-bond35" atomRefs="MG-PROTOPORPHYRIN-atom13 MG-PROTOPORPHYRIN-atom10" order="A"/> <bond id="MG-PROTOPORPHYRIN-bond36" atomRefs="MG-PROTOPORPHYRIN-atom10 MG-PROTOPORPHYRIN-atom36" order="A"/> <bond id="MG-PROTOPORPHYRIN-bond37" atomRefs="MG-PROTOPORPHYRIN-atom1 MG-PROTOPORPHYRIN-atom19" order="2"/> <bond id="MG-PROTOPORPHYRIN-bond38" atomRefs="MG-PROTOPORPHYRIN-atom8 MG-PROTOPORPHYRIN-atom20" order="2"/> <bond id="MG-PROTOPORPHYRIN-bond39" atomRefs="MG-PROTOPORPHYRIN-atom35 MG-PROTOPORPHYRIN-atom8" order="1"/> <bond id="MG-PROTOPORPHYRIN-bond40" atomRefs="MG-PROTOPORPHYRIN-atom7 MG-PROTOPORPHYRIN-atom9" order="1"/> <bond id="MG-PROTOPORPHYRIN-bond41" atomRefs="MG-PROTOPORPHYRIN-atom7 MG-PROTOPORPHYRIN-atom35" order="2"/> <bond id="MG-PROTOPORPHYRIN-bond42" atomRefs="MG-PROTOPORPHYRIN-atom6 MG-PROTOPORPHYRIN-atom7" order="1"/> <bond id="MG-PROTOPORPHYRIN-bond43" atomRefs="MG-PROTOPORPHYRIN-atom5 MG-PROTOPORPHYRIN-atom8" order="1"/> <bond id="MG-PROTOPORPHYRIN-bond44" atomRefs="MG-PROTOPORPHYRIN-atom5 MG-PROTOPORPHYRIN-atom6" order="2"/> <bond id="MG-PROTOPORPHYRIN-bond45" atomRefs="MG-PROTOPORPHYRIN-atom2 MG-PROTOPORPHYRIN-atom9" order="2"/> <bond id="MG-PROTOPORPHYRIN-bond46" atomRefs="MG-PROTOPORPHYRIN-atom3 MG-PROTOPORPHYRIN-atom4" order="A"/> <bond id="MG-PROTOPORPHYRIN-bond47" atomRefs="MG-PROTOPORPHYRIN-atom2 MG-PROTOPORPHYRIN-atom3" order="A"/> <bond id="MG-PROTOPORPHYRIN-bond48" atomRefs="MG-PROTOPORPHYRIN-atom38 MG-PROTOPORPHYRIN-atom2" order="A"/> <bond id="MG-PROTOPORPHYRIN-bond49" atomRefs="MG-PROTOPORPHYRIN-atom4 MG-PROTOPORPHYRIN-atom1" order="A"/> <bond id="MG-PROTOPORPHYRIN-bond50" atomRefs="MG-PROTOPORPHYRIN-atom1 MG-PROTOPORPHYRIN-atom38" order="A"/> <formula concise="C 34 H 32 N 4 O 4 MG 1" formalCharge="0"/> 584.956 Cc7(c6(=CC3(=N2([Mg]58(n1(c(c(C)c(C=C)c1C=C2C(C)=C3C=C)C=C4(N(=C(C(=C(C)4)CCC(O)=O)C=c(n56)c7CCC(=O)O)8)))))))
Magnesium-protoporphyrin O-methyltransferase
<atom id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom1" elementType="C" x2="1.7047" y2="-0.0239"/> <atom id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom2" elementType="C" x2="0.8399" y2="0.9929"/> <atom id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom3" elementType="C" x2="1.6028" y2="1.307"/> <atom id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom4" elementType="C" x2="2.1372" y2="0.6786"/> <atom id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom5" elementType="C" x2="-1.903" y2="0.7977"/> <atom id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom6" elementType="C" x2="-1.3324" y2="1.3935"/> <atom id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom7" elementType="C" x2="-0.5894" y2="1.035"/> <atom id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom8" elementType="C" x2="-1.5126" y2="0.0709"/> <atom id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom9" elementType="C" x2="0.1374" y2="1.4254"/> <atom id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom10" elementType="C" x2="-1.5462" y2="-1.4915"/> <atom id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom11" elementType="C" x2="-0.6655" y2="-2.4945"/> <atom id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom12" elementType="C" x2="-1.4233" y2="-2.8206"/> <atom id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom13" elementType="C" x2="-1.9676" y2="-2.2008"/> <atom id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom14" elementType="C" x2="2.074" y2="-2.2559"/> <atom id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom15" elementType="C" x2="1.5129" y2="-2.8607"/> <atom id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom16" elementType="C" x2="0.7643" y2="-2.514"/> <atom id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom17" elementType="C" x2="1.6721" y2="-1.5354"/> <atom id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom18" elementType="C" x2="0.0438" y2="-2.9159"/> <atom id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom19" elementType="C" x2="2.0188" y2="-0.7868"/> <atom id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom20" elementType="C" x2="-1.8711" y2="-0.6722"/> <atom id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom21" elementType="C" x2="2.9598" y2="0.7416"/> <atom id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom22" elementType="C" x2="2.8931" y2="-2.3543"/> <atom id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom23" elementType="C" x2="3.2174" y2="-3.1129"/> <atom id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom24" elementType="C" x2="1.6724" y2="-3.6702"/> <atom id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom25" elementType="C" x2="-1.6048" y2="-3.6254"/> <atom id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom26" elementType="C" x2="-2.4298" y2="-3.6254"/> <atom id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom27" elementType="C" x2="-2.7891" y2="-2.2768"/> <atom id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom28" elementType="C" x2="-2.7204" y2="0.909"/> <atom id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom29" elementType="C" x2="-1.4791" y2="2.2054"/> <atom id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom30" elementType="C" x2="-2.2555" y2="2.4843"/> <atom id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom31" elementType="C" x2="-2.4022" y2="3.2961"/> <atom id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom32" elementType="C" x2="1.797" y2="2.1088"/> <atom id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom33" elementType="C" x2="2.5886" y2="2.3415"/> <atom id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom34" elementType="C" x2="2.7828" y2="3.1433"/> <atom id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom35" elementType="C" x2="3.7686" y2="4.1777"/> <atom id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom36" elementType="N" x2="-0.7007" y2="0.2176"/> <atom id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom37" elementType="N" x2="-0.7415" y2="-1.6731"/> <atom id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom38" elementType="N" x2="0.8627" y2="-1.6949"/> <atom id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom39" elementType="N" x2="0.9029" y2="0.1704"/> <atom id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom40" elementType="MG" x2="0.0937" y2="-0.7813"/> <atom id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom41" elementType="O" x2="-1.7725" y2="3.8291"/> <atom id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom42" elementType="O" x2="-3.1787" y2="3.575"/> <atom id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom43" elementType="O" x2="2.1856" y2="3.7124"/> <atom id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom44" elementType="O" x2="3.5743" y2="3.3759"/> <bond id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-bond1" atomRefs="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom38 MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom40" order="COORDINATION"/> <bond id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-bond2" atomRefs="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom36 MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom40" order="COORDINATION"/> <bond id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-bond3" atomRefs="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom39 MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom40" order="1"/> <bond id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-bond4" atomRefs="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom37 MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom40" order="1"/> <bond id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-bond5" atomRefs="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom44 MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom35" order="1"/> <bond id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-bond6" atomRefs="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom34 MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom43" order="2"/> <bond id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-bond7" atomRefs="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom34 MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom44" order="1"/> <bond id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-bond8" atomRefs="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom33 MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom34" order="1"/> <bond id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-bond9" atomRefs="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom32 MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom33" order="1"/> <bond id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-bond10" atomRefs="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom31 MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom42" order="1"/> <bond id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-bond11" atomRefs="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom31 MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom41" order="2"/> <bond id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-bond12" atomRefs="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom30 MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom31" order="1"/> <bond id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-bond13" atomRefs="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom29 MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom30" order="1"/> <bond id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-bond14" atomRefs="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom6 MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom29" order="1"/> <bond id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-bond15" atomRefs="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom5 MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom28" order="1"/> <bond id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-bond16" atomRefs="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom13 MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom27" order="1"/> <bond id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-bond17" atomRefs="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom25 MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom26" order="2"/> <bond id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-bond18" atomRefs="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom12 MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom25" order="1"/> <bond id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-bond19" atomRefs="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom15 MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom24" order="1"/> <bond id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-bond20" atomRefs="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom22 MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom23" order="2"/> <bond id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-bond21" atomRefs="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom14 MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom22" order="1"/> <bond id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-bond22" atomRefs="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom4 MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom21" order="1"/> <bond id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-bond23" atomRefs="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom3 MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom32" order="1"/> <bond id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-bond24" atomRefs="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom17 MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom19" order="1"/> <bond id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-bond25" atomRefs="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom38 MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom17" order="2"/> <bond id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-bond26" atomRefs="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom16 MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom18" order="2"/> <bond id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-bond27" atomRefs="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom16 MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom38" order="1"/> <bond id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-bond28" atomRefs="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom15 MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom16" order="1"/> <bond id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-bond29" atomRefs="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom14 MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom17" order="1"/> <bond id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-bond30" atomRefs="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom14 MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom15" order="2"/> <bond id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-bond31" atomRefs="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom12 MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom13" order="A"/> <bond id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-bond32" atomRefs="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom11 MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom18" order="1"/> <bond id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-bond33" atomRefs="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom11 MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom12" order="A"/> <bond id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-bond34" atomRefs="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom37 MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom11" order="A"/> <bond id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-bond35" atomRefs="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom10 MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom20" order="1"/> <bond id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-bond36" atomRefs="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom13 MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom10" order="A"/> <bond id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-bond37" atomRefs="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom10 MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom37" order="A"/> <bond id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-bond38" atomRefs="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom1 MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom19" order="2"/> <bond id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-bond39" atomRefs="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom8 MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom20" order="2"/> <bond id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-bond40" atomRefs="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom36 MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom8" order="1"/> <bond id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-bond41" atomRefs="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom7 MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom9" order="1"/> <bond id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-bond42" atomRefs="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom7 MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom36" order="2"/> <bond id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-bond43" atomRefs="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom6 MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom7" order="1"/> <bond id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-bond44" atomRefs="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom5 MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom8" order="1"/> <bond id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-bond45" atomRefs="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom5 MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom6" order="2"/> <bond id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-bond46" atomRefs="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom2 MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom9" order="2"/> <bond id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-bond47" atomRefs="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom3 MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom4" order="A"/> <bond id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-bond48" atomRefs="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom2 MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom3" order="A"/> <bond id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-bond49" atomRefs="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom39 MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom2" order="A"/> <bond id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-bond50" atomRefs="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom4 MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom1" order="A"/> <bond id="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-bond51" atomRefs="MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom1 MG-PROTOPORPHYRIN-MONOMETHYL-ESTER-atom39" order="A"/> <formula concise="C 35 H 34 N 4 O 4 MG 1" formalCharge="0"/> 598.983 Cc6(c(CCC(=O)OC)c1(n7([Mg]35(n4(c(C=C2(C(C)=C(C(C=1)=N23)CCC(O)=O))c(C)c(C=C)c4C=C8(N5=C(C=c67)C(C=C)=C(C)8))))))
magnesium-protoporphyrin IX 13-monomethyl ester
magnesium protoporphyrin monomethyl ester
MAGNESIUM-PROTOPORPHYRIN IX METHYLTRANSFERASE
<atom id="L-ASPARTATE-atom1" elementType="O" x2="-1.0" y2="-0.07317072"/> <atom id="L-ASPARTATE-atom2" elementType="N" x2="0.24661255" y2="-1.0"/> <atom id="L-ASPARTATE-atom3" elementType="O" x2="0.99729" y2="-0.93495935"/> <atom id="L-ASPARTATE-atom4" elementType="O" x2="-0.25745255" y2="0.3577236"/> <atom id="L-ASPARTATE-atom5" elementType="H" x2="0.24661255" y2="-0.0027099848"/> <atom id="L-ASPARTATE-atom6" elementType="C" x2="-0.25745255" y2="-0.50406504"/> <atom id="L-ASPARTATE-atom7" elementType="C" x2="0.7506776" y2="-0.50406504"/> <atom id="L-ASPARTATE-atom8" elementType="C" x2="-0.50406504" y2="-0.07317072"/> <atom id="L-ASPARTATE-atom9" elementType="C" x2="0.24661255" y2="-0.50406504"/> <atom id="L-ASPARTATE-atom10" elementType="O" x2="0.99729" y2="-0.07317072"/> <bond id="L-ASPARTATE-bond1" atomRefs="L-ASPARTATE-atom10 L-ASPARTATE-atom7" order="2"/> <bond id="L-ASPARTATE-bond2" atomRefs="L-ASPARTATE-atom9 L-ASPARTATE-atom5" order="1"/> <bond id="L-ASPARTATE-bond3" atomRefs="L-ASPARTATE-atom9 L-ASPARTATE-atom2" order="1"/> <bond id="L-ASPARTATE-bond4" atomRefs="L-ASPARTATE-atom9 L-ASPARTATE-atom6" order="1"/> <bond id="L-ASPARTATE-bond5" atomRefs="L-ASPARTATE-atom8 L-ASPARTATE-atom6" order="1"/> <bond id="L-ASPARTATE-bond6" atomRefs="L-ASPARTATE-atom7 L-ASPARTATE-atom9" order="1"/> <bond id="L-ASPARTATE-bond7" atomRefs="L-ASPARTATE-atom4 L-ASPARTATE-atom8" order="1"/> <bond id="L-ASPARTATE-bond8" atomRefs="L-ASPARTATE-atom3 L-ASPARTATE-atom7" order="1"/> <bond id="L-ASPARTATE-bond9" atomRefs="L-ASPARTATE-atom1 L-ASPARTATE-atom8" order="2"/> <formula concise="C 4 H 7 N 1 O 4" formalCharge="0"/> 133.104 C(O)(=O)[CH](N)CC(O)=O
<atom id="CARBAMOYL-P-atom1" elementType="N" x2="-1.0" y2="-0.49123"/> <atom id="CARBAMOYL-P-atom2" elementType="P" x2="0.48772" y2="-0.49123"/> <atom id="CARBAMOYL-P-atom3" elementType="O" x2="0.99649" y2="-0.49123"/> <atom id="CARBAMOYL-P-atom4" elementType="O" x2="0.48772" y2="0.01754"/> <atom id="CARBAMOYL-P-atom5" elementType="O" x2="-0.02105" y2="-0.49123"/> <atom id="CARBAMOYL-P-atom6" elementType="O" x2="0.48772" y2="-1.0"/> <atom id="CARBAMOYL-P-atom7" elementType="C" x2="-0.49123" y2="-0.49123"/> <atom id="CARBAMOYL-P-atom8" elementType="O" x2="-0.49123" y2="0.01754"/> <bond id="CARBAMOYL-P-bond1" atomRefs="CARBAMOYL-P-atom8 CARBAMOYL-P-atom7" order="2"/> <bond id="CARBAMOYL-P-bond2" atomRefs="CARBAMOYL-P-atom7 CARBAMOYL-P-atom5" order="1"/> <bond id="CARBAMOYL-P-bond3" atomRefs="CARBAMOYL-P-atom6 CARBAMOYL-P-atom2" order="1"/> <bond id="CARBAMOYL-P-bond4" atomRefs="CARBAMOYL-P-atom5 CARBAMOYL-P-atom2" order="1"/> <bond id="CARBAMOYL-P-bond5" atomRefs="CARBAMOYL-P-atom4 CARBAMOYL-P-atom2" order="2"/> <bond id="CARBAMOYL-P-bond6" atomRefs="CARBAMOYL-P-atom3 CARBAMOYL-P-atom2" order="1"/> <bond id="CARBAMOYL-P-bond7" atomRefs="CARBAMOYL-P-atom1 CARBAMOYL-P-atom7" order="1"/> <formula concise="C 1 H 4 N 1 O 5 P 1" formalCharge="0"/> 141.02 C(N)(=O)OP(=O)(O)O
<atom id="CARBAMYUL-L-ASPARTATE-atom1" elementType="C" x2="-0.62438" y2="-0.57166"/> <atom id="CARBAMYUL-L-ASPARTATE-atom2" elementType="O" x2="0.99671" y2="-0.14333"/> <atom id="CARBAMYUL-L-ASPARTATE-atom3" elementType="O" x2="0.99341" y2="-1.0"/> <atom id="CARBAMYUL-L-ASPARTATE-atom4" elementType="C" x2="0.74959" y2="-0.57166"/> <atom id="CARBAMYUL-L-ASPARTATE-atom5" elementType="O" x2="-1.0" y2="-0.89127"/> <atom id="CARBAMYUL-L-ASPARTATE-atom6" elementType="O" x2="-0.95058" y2="-0.19605"/> <atom id="CARBAMYUL-L-ASPARTATE-atom7" elementType="O" x2="-0.06425" y2="0.80231"/> <atom id="CARBAMYUL-L-ASPARTATE-atom8" elementType="N" x2="0.27512" y2="-0.07414"/> <atom id="CARBAMYUL-L-ASPARTATE-atom9" elementType="C" x2="-0.19275" y2="-0.57166"/> <atom id="CARBAMYUL-L-ASPARTATE-atom10" elementType="N" x2="0.62768" y2="0.78913"/> <atom id="CARBAMYUL-L-ASPARTATE-atom11" elementType="C" x2="0.27512" y2="0.44316"/> <atom id="CARBAMYUL-L-ASPARTATE-atom12" elementType="C" x2="0.27512" y2="-0.57166"/> <bond id="CARBAMYUL-L-ASPARTATE-bond1" atomRefs="CARBAMYUL-L-ASPARTATE-atom12 CARBAMYUL-L-ASPARTATE-atom9" order="1"/> <bond id="CARBAMYUL-L-ASPARTATE-bond2" atomRefs="CARBAMYUL-L-ASPARTATE-atom12 CARBAMYUL-L-ASPARTATE-atom8" order="1"/> <bond id="CARBAMYUL-L-ASPARTATE-bond3" atomRefs="CARBAMYUL-L-ASPARTATE-atom11 CARBAMYUL-L-ASPARTATE-atom10" order="1"/> <bond id="CARBAMYUL-L-ASPARTATE-bond4" atomRefs="CARBAMYUL-L-ASPARTATE-atom8 CARBAMYUL-L-ASPARTATE-atom11" order="1"/> <bond id="CARBAMYUL-L-ASPARTATE-bond5" atomRefs="CARBAMYUL-L-ASPARTATE-atom7 CARBAMYUL-L-ASPARTATE-atom11" order="2"/> <bond id="CARBAMYUL-L-ASPARTATE-bond6" atomRefs="CARBAMYUL-L-ASPARTATE-atom6 CARBAMYUL-L-ASPARTATE-atom1" order="1"/> <bond id="CARBAMYUL-L-ASPARTATE-bond7" atomRefs="CARBAMYUL-L-ASPARTATE-atom5 CARBAMYUL-L-ASPARTATE-atom1" order="2"/> <bond id="CARBAMYUL-L-ASPARTATE-bond8" atomRefs="CARBAMYUL-L-ASPARTATE-atom4 CARBAMYUL-L-ASPARTATE-atom12" order="1"/> <bond id="CARBAMYUL-L-ASPARTATE-bond9" atomRefs="CARBAMYUL-L-ASPARTATE-atom3 CARBAMYUL-L-ASPARTATE-atom4" order="1"/> <bond id="CARBAMYUL-L-ASPARTATE-bond10" atomRefs="CARBAMYUL-L-ASPARTATE-atom2 CARBAMYUL-L-ASPARTATE-atom4" order="2"/> <bond id="CARBAMYUL-L-ASPARTATE-bond11" atomRefs="CARBAMYUL-L-ASPARTATE-atom1 CARBAMYUL-L-ASPARTATE-atom9" order="1"/> <formula concise="C 5 H 8 N 2 O 5" formalCharge="0"/> 176.129 C(=O)(O)CC(C(O)=O)NC(N)=O
<atom id="RIBOSE-5P-atom1" elementType="O" x2="-0.033" y2="1.0"/> <atom id="RIBOSE-5P-atom2" elementType="O" x2="-0.54125" y2="-0.9967"/> <atom id="RIBOSE-5P-atom3" elementType="O" x2="-0.54125" y2="-0.20462"/> <atom id="RIBOSE-5P-atom4" elementType="O" x2="-0.54125" y2="-0.58086"/> <atom id="RIBOSE-5P-atom5" elementType="C" x2="-1.0" y2="0.17492"/> <atom id="RIBOSE-5P-atom6" elementType="P" x2="-0.033" y2="0.54125"/> <atom id="RIBOSE-5P-atom7" elementType="O" x2="0.42574" y2="0.54125"/> <atom id="RIBOSE-5P-atom8" elementType="O" x2="-0.033" y2="0.08251"/> <atom id="RIBOSE-5P-atom9" elementType="O" x2="-0.41914" y2="0.54125"/> <atom id="RIBOSE-5P-atom10" elementType="C" x2="-1.0" y2="-0.20462"/> <atom id="RIBOSE-5P-atom11" elementType="C" x2="-1.0" y2="-0.9967"/> <atom id="RIBOSE-5P-atom12" elementType="O" x2="-0.54125" y2="0.17492"/> <atom id="RIBOSE-5P-atom13" elementType="C" x2="-1.0" y2="-0.58086"/> <atom id="RIBOSE-5P-atom14" elementType="C" x2="-1.0" y2="0.54125"/> <bond id="RIBOSE-5P-bond1" atomRefs="RIBOSE-5P-atom14 RIBOSE-5P-atom9" order="1"/> <bond id="RIBOSE-5P-bond2" atomRefs="RIBOSE-5P-atom13 RIBOSE-5P-atom10" order="1"/> <bond id="RIBOSE-5P-bond3" atomRefs="RIBOSE-5P-atom12 RIBOSE-5P-atom5" order="1"/> <bond id="RIBOSE-5P-bond4" atomRefs="RIBOSE-5P-atom11 RIBOSE-5P-atom13" order="1"/> <bond id="RIBOSE-5P-bond5" atomRefs="RIBOSE-5P-atom10 RIBOSE-5P-atom5" order="1"/> <bond id="RIBOSE-5P-bond6" atomRefs="RIBOSE-5P-atom9 RIBOSE-5P-atom6" order="1"/> <bond id="RIBOSE-5P-bond7" atomRefs="RIBOSE-5P-atom8 RIBOSE-5P-atom6" order="2"/> <bond id="RIBOSE-5P-bond8" atomRefs="RIBOSE-5P-atom7 RIBOSE-5P-atom6" order="1"/> <bond id="RIBOSE-5P-bond9" atomRefs="RIBOSE-5P-atom5 RIBOSE-5P-atom14" order="1"/> <bond id="RIBOSE-5P-bond10" atomRefs="RIBOSE-5P-atom4 RIBOSE-5P-atom13" order="1"/> <bond id="RIBOSE-5P-bond11" atomRefs="RIBOSE-5P-atom3 RIBOSE-5P-atom10" order="1"/> <bond id="RIBOSE-5P-bond12" atomRefs="RIBOSE-5P-atom2 RIBOSE-5P-atom11" order="2"/> <bond id="RIBOSE-5P-bond13" atomRefs="RIBOSE-5P-atom1 RIBOSE-5P-atom6" order="1"/> <formula concise="C 5 H 11 O 8 P 1" formalCharge="0"/> 230.111 C(=O)C(O)C(O)C(O)COP(O)(=O)O
<atom id="XYLULOSE-5-PHOSPHATE-atom1" elementType="O" x2="-0.12263" y2="-0.33333"/> <atom id="XYLULOSE-5-PHOSPHATE-atom2" elementType="O" x2="0.99655" y2="0.56131"/> <atom id="XYLULOSE-5-PHOSPHATE-atom3" elementType="C" x2="-0.56131" y2="-0.63385"/> <atom id="XYLULOSE-5-PHOSPHATE-atom4" elementType="P" x2="0.55786" y2="0.56131"/> <atom id="XYLULOSE-5-PHOSPHATE-atom5" elementType="C" x2="-0.56131" y2="0.56131"/> <atom id="XYLULOSE-5-PHOSPHATE-atom6" elementType="C" x2="-0.56131" y2="0.25389"/> <atom id="XYLULOSE-5-PHOSPHATE-atom7" elementType="C" x2="-0.56131" y2="-0.04318"/> <atom id="XYLULOSE-5-PHOSPHATE-atom8" elementType="O" x2="0.55786" y2="1.0"/> <atom id="XYLULOSE-5-PHOSPHATE-atom9" elementType="O" x2="-0.12263" y2="-0.63385"/> <atom id="XYLULOSE-5-PHOSPHATE-atom10" elementType="O" x2="0.55786" y2="0.12263"/> <atom id="XYLULOSE-5-PHOSPHATE-atom11" elementType="C" x2="-0.56131" y2="-0.33333"/> <atom id="XYLULOSE-5-PHOSPHATE-atom12" elementType="O" x2="-0.12263" y2="0.25389"/> <atom id="XYLULOSE-5-PHOSPHATE-atom13" elementType="O" x2="-1.0" y2="-0.04318"/> <atom id="XYLULOSE-5-PHOSPHATE-atom14" elementType="O" x2="0.00864" y2="0.56131"/> <bond id="XYLULOSE-5-PHOSPHATE-bond1" atomRefs="XYLULOSE-5-PHOSPHATE-atom14 XYLULOSE-5-PHOSPHATE-atom4" order="1"/> <bond id="XYLULOSE-5-PHOSPHATE-bond2" atomRefs="XYLULOSE-5-PHOSPHATE-atom13 XYLULOSE-5-PHOSPHATE-atom7" order="1"/> <bond id="XYLULOSE-5-PHOSPHATE-bond3" atomRefs="XYLULOSE-5-PHOSPHATE-atom12 XYLULOSE-5-PHOSPHATE-atom6" order="1"/> <bond id="XYLULOSE-5-PHOSPHATE-bond4" atomRefs="XYLULOSE-5-PHOSPHATE-atom11 XYLULOSE-5-PHOSPHATE-atom7" order="1"/> <bond id="XYLULOSE-5-PHOSPHATE-bond5" atomRefs="XYLULOSE-5-PHOSPHATE-atom10 XYLULOSE-5-PHOSPHATE-atom4" order="2"/> <bond id="XYLULOSE-5-PHOSPHATE-bond6" atomRefs="XYLULOSE-5-PHOSPHATE-atom9 XYLULOSE-5-PHOSPHATE-atom3" order="1"/> <bond id="XYLULOSE-5-PHOSPHATE-bond7" atomRefs="XYLULOSE-5-PHOSPHATE-atom8 XYLULOSE-5-PHOSPHATE-atom4" order="1"/> <bond id="XYLULOSE-5-PHOSPHATE-bond8" atomRefs="XYLULOSE-5-PHOSPHATE-atom7 XYLULOSE-5-PHOSPHATE-atom6" order="1"/> <bond id="XYLULOSE-5-PHOSPHATE-bond9" atomRefs="XYLULOSE-5-PHOSPHATE-atom6 XYLULOSE-5-PHOSPHATE-atom5" order="1"/> <bond id="XYLULOSE-5-PHOSPHATE-bond10" atomRefs="XYLULOSE-5-PHOSPHATE-atom5 XYLULOSE-5-PHOSPHATE-atom14" order="1"/> <bond id="XYLULOSE-5-PHOSPHATE-bond11" atomRefs="XYLULOSE-5-PHOSPHATE-atom3 XYLULOSE-5-PHOSPHATE-atom11" order="1"/> <bond id="XYLULOSE-5-PHOSPHATE-bond12" atomRefs="XYLULOSE-5-PHOSPHATE-atom2 XYLULOSE-5-PHOSPHATE-atom4" order="1"/> <bond id="XYLULOSE-5-PHOSPHATE-bond13" atomRefs="XYLULOSE-5-PHOSPHATE-atom1 XYLULOSE-5-PHOSPHATE-atom11" order="2"/> <formula concise="C 5 H 11 O 8 P 1" formalCharge="0"/> 230.111 C(O)C(=O)C(O)C(O)COP(O)(=O)O
<atom id="D-SEDOHEPTULOSE-7-P-atom1" elementType="C" x2="-1.7713" y2="1.7682"/> <atom id="D-SEDOHEPTULOSE-7-P-atom2" elementType="O" x2="0.6682" y2="0.737"/> <atom id="D-SEDOHEPTULOSE-7-P-atom3" elementType="O" x2="-0.7398" y2="-0.5545"/> <atom id="D-SEDOHEPTULOSE-7-P-atom4" elementType="P" x2="0.6682" y2="1.7682"/> <atom id="D-SEDOHEPTULOSE-7-P-atom5" elementType="C" x2="-1.7713" y2="1.0868"/> <atom id="D-SEDOHEPTULOSE-7-P-atom6" elementType="C" x2="-1.7713" y2="0.2705"/> <atom id="D-SEDOHEPTULOSE-7-P-atom7" elementType="C" x2="-1.7713" y2="-0.5545"/> <atom id="D-SEDOHEPTULOSE-7-P-atom8" elementType="O" x2="-0.7579" y2="-2.0073"/> <atom id="D-SEDOHEPTULOSE-7-P-atom9" elementType="O" x2="-2.8205" y2="-1.3617"/> <atom id="D-SEDOHEPTULOSE-7-P-atom10" elementType="C" x2="-1.7713" y2="-2.8323"/> <atom id="D-SEDOHEPTULOSE-7-P-atom11" elementType="O" x2="-0.3543" y2="1.7682"/> <atom id="D-SEDOHEPTULOSE-7-P-atom12" elementType="C" x2="-1.7713" y2="-1.3617"/> <atom id="D-SEDOHEPTULOSE-7-P-atom13" elementType="O" x2="0.6682" y2="2.7997"/> <atom id="D-SEDOHEPTULOSE-7-P-atom14" elementType="O" x2="1.6994" y2="1.7682"/> <atom id="D-SEDOHEPTULOSE-7-P-atom15" elementType="C" x2="-1.7713" y2="-2.0073"/> <atom id="D-SEDOHEPTULOSE-7-P-atom16" elementType="O" x2="-0.7398" y2="1.0868"/> <atom id="D-SEDOHEPTULOSE-7-P-atom17" elementType="O" x2="-0.7579" y2="-2.8323"/> <atom id="D-SEDOHEPTULOSE-7-P-atom18" elementType="O" x2="-0.7398" y2="0.2705"/> <bond id="D-SEDOHEPTULOSE-7-P-bond1" atomRefs="D-SEDOHEPTULOSE-7-P-atom1 D-SEDOHEPTULOSE-7-P-atom11" order="1"/> <bond id="D-SEDOHEPTULOSE-7-P-bond2" atomRefs="D-SEDOHEPTULOSE-7-P-atom2 D-SEDOHEPTULOSE-7-P-atom4" order="2"/> <bond id="D-SEDOHEPTULOSE-7-P-bond3" atomRefs="D-SEDOHEPTULOSE-7-P-atom3 D-SEDOHEPTULOSE-7-P-atom7" order="1"/> <bond id="D-SEDOHEPTULOSE-7-P-bond4" atomRefs="D-SEDOHEPTULOSE-7-P-atom5 D-SEDOHEPTULOSE-7-P-atom1" order="1"/> <bond id="D-SEDOHEPTULOSE-7-P-bond5" atomRefs="D-SEDOHEPTULOSE-7-P-atom6 D-SEDOHEPTULOSE-7-P-atom5" order="1"/> <bond id="D-SEDOHEPTULOSE-7-P-bond6" atomRefs="D-SEDOHEPTULOSE-7-P-atom7 D-SEDOHEPTULOSE-7-P-atom6" order="1"/> <bond id="D-SEDOHEPTULOSE-7-P-bond7" atomRefs="D-SEDOHEPTULOSE-7-P-atom8 D-SEDOHEPTULOSE-7-P-atom15" order="2"/> <bond id="D-SEDOHEPTULOSE-7-P-bond8" atomRefs="D-SEDOHEPTULOSE-7-P-atom9 D-SEDOHEPTULOSE-7-P-atom12" order="1"/> <bond id="D-SEDOHEPTULOSE-7-P-bond9" atomRefs="D-SEDOHEPTULOSE-7-P-atom10 D-SEDOHEPTULOSE-7-P-atom15" order="1"/> <bond id="D-SEDOHEPTULOSE-7-P-bond10" atomRefs="D-SEDOHEPTULOSE-7-P-atom11 D-SEDOHEPTULOSE-7-P-atom4" order="1"/> <bond id="D-SEDOHEPTULOSE-7-P-bond11" atomRefs="D-SEDOHEPTULOSE-7-P-atom12 D-SEDOHEPTULOSE-7-P-atom7" order="1"/> <bond id="D-SEDOHEPTULOSE-7-P-bond12" atomRefs="D-SEDOHEPTULOSE-7-P-atom13 D-SEDOHEPTULOSE-7-P-atom4" order="1"/> <bond id="D-SEDOHEPTULOSE-7-P-bond13" atomRefs="D-SEDOHEPTULOSE-7-P-atom14 D-SEDOHEPTULOSE-7-P-atom4" order="1"/> <bond id="D-SEDOHEPTULOSE-7-P-bond14" atomRefs="D-SEDOHEPTULOSE-7-P-atom15 D-SEDOHEPTULOSE-7-P-atom12" order="1"/> <bond id="D-SEDOHEPTULOSE-7-P-bond15" atomRefs="D-SEDOHEPTULOSE-7-P-atom16 D-SEDOHEPTULOSE-7-P-atom5" order="1"/> <bond id="D-SEDOHEPTULOSE-7-P-bond16" atomRefs="D-SEDOHEPTULOSE-7-P-atom17 D-SEDOHEPTULOSE-7-P-atom10" order="1"/> <bond id="D-SEDOHEPTULOSE-7-P-bond17" atomRefs="D-SEDOHEPTULOSE-7-P-atom18 D-SEDOHEPTULOSE-7-P-atom6" order="1"/> <formula concise="C 7 H 15 O 10 P 1" formalCharge="0"/> 290.163 C(OP(O)(=O)O)C(O)C(O)C(O)C(O)C(=O)CO D-altro-2-heptulose, 7-(dihydrogen phosphate)
<atom id="ERYTHROSE-4P-atom1" elementType="O" x2="0.29338" y2="1.0"/> <atom id="ERYTHROSE-4P-atom2" elementType="O" x2="-0.52681" y2="-0.99685"/> <atom id="ERYTHROSE-4P-atom3" elementType="P" x2="0.29338" y2="0.47003"/> <atom id="ERYTHROSE-4P-atom4" elementType="C" x2="-1.0" y2="-0.36593"/> <atom id="ERYTHROSE-4P-atom5" elementType="C" x2="-1.0" y2="0.05047"/> <atom id="ERYTHROSE-4P-atom6" elementType="O" x2="-0.29653" y2="0.47003"/> <atom id="ERYTHROSE-4P-atom7" elementType="C" x2="-1.0" y2="-0.76656"/> <atom id="ERYTHROSE-4P-atom8" elementType="O" x2="0.82334" y2="0.47003"/> <atom id="ERYTHROSE-4P-atom9" elementType="C" x2="-1.0" y2="0.47003"/> <atom id="ERYTHROSE-4P-atom10" elementType="O" x2="-0.47003" y2="-0.36593"/> <atom id="ERYTHROSE-4P-atom11" elementType="O" x2="-0.47003" y2="0.05047"/> <atom id="ERYTHROSE-4P-atom12" elementType="O" x2="0.29338" y2="-0.05994"/> <bond id="ERYTHROSE-4P-bond1" atomRefs="ERYTHROSE-4P-atom12 ERYTHROSE-4P-atom3" order="2"/> <bond id="ERYTHROSE-4P-bond2" atomRefs="ERYTHROSE-4P-atom11 ERYTHROSE-4P-atom5" order="1"/> <bond id="ERYTHROSE-4P-bond3" atomRefs="ERYTHROSE-4P-atom10 ERYTHROSE-4P-atom4" order="1"/> <bond id="ERYTHROSE-4P-bond4" atomRefs="ERYTHROSE-4P-atom9 ERYTHROSE-4P-atom6" order="1"/> <bond id="ERYTHROSE-4P-bond5" atomRefs="ERYTHROSE-4P-atom8 ERYTHROSE-4P-atom3" order="1"/> <bond id="ERYTHROSE-4P-bond6" atomRefs="ERYTHROSE-4P-atom7 ERYTHROSE-4P-atom4" order="1"/> <bond id="ERYTHROSE-4P-bond7" atomRefs="ERYTHROSE-4P-atom6 ERYTHROSE-4P-atom3" order="1"/> <bond id="ERYTHROSE-4P-bond8" atomRefs="ERYTHROSE-4P-atom5 ERYTHROSE-4P-atom9" order="1"/> <bond id="ERYTHROSE-4P-bond9" atomRefs="ERYTHROSE-4P-atom4 ERYTHROSE-4P-atom5" order="1"/> <bond id="ERYTHROSE-4P-bond10" atomRefs="ERYTHROSE-4P-atom2 ERYTHROSE-4P-atom7" order="2"/> <bond id="ERYTHROSE-4P-bond11" atomRefs="ERYTHROSE-4P-atom1 ERYTHROSE-4P-atom3" order="1"/> <formula concise="C 4 H 9 O 7 P 1" formalCharge="0"/> 200.085 C(=O)C(O)C(O)COP(O)(=O)O
<atom id="FRUCTOSE-6P-atom1" elementType="O" x2="1.4089" y2="-2.9043"/> <atom id="FRUCTOSE-6P-atom2" elementType="O" x2="8.4892" y2="-4.0867"/> <atom id="FRUCTOSE-6P-atom3" elementType="O" x2="4.0316" y2="0.0"/> <atom id="FRUCTOSE-6P-atom4" elementType="O" x2="7.0774" y2="0.0"/> <atom id="FRUCTOSE-6P-atom5" elementType="O" x2="8.0186" y2="-2.8967"/> <atom id="FRUCTOSE-6P-atom6" elementType="O" x2="0.0" y2="-4.2847"/> <atom id="FRUCTOSE-6P-atom7" elementType="O" x2="1.438" y2="-5.7038"/> <atom id="FRUCTOSE-6P-atom8" elementType="C" x2="7.1198" y2="-3.7956"/> <atom id="FRUCTOSE-6P-atom9" elementType="C" x2="3.0904" y2="-2.8967"/> <atom id="FRUCTOSE-6P-atom10" elementType="O" x2="2.7993" y2="-4.2661"/> <atom id="FRUCTOSE-6P-atom11" elementType="O" x2="5.5545" y2="-3.287"/> <atom id="FRUCTOSE-6P-atom12" elementType="C" x2="4.8545" y2="-1.1326"/> <atom id="FRUCTOSE-6P-atom13" elementType="C" x2="4.4219" y2="-2.4641"/> <atom id="FRUCTOSE-6P-atom14" elementType="C" x2="6.2545" y2="-1.1326"/> <atom id="FRUCTOSE-6P-atom15" elementType="C" x2="6.6871" y2="-2.4641"/> <atom id="FRUCTOSE-6P-atom16" elementType="P" x2="1.3999" y2="-4.3043"/> <bond id="FRUCTOSE-6P-bond1" atomRefs="FRUCTOSE-6P-atom14 FRUCTOSE-6P-atom15" order="1"/> <bond id="FRUCTOSE-6P-bond2" atomRefs="FRUCTOSE-6P-atom12 FRUCTOSE-6P-atom14" order="1"/> <bond id="FRUCTOSE-6P-bond3" atomRefs="FRUCTOSE-6P-atom12 FRUCTOSE-6P-atom13" order="1"/> <bond id="FRUCTOSE-6P-bond4" atomRefs="FRUCTOSE-6P-atom11 FRUCTOSE-6P-atom15" order="1"/> <bond id="FRUCTOSE-6P-bond5" atomRefs="FRUCTOSE-6P-atom11 FRUCTOSE-6P-atom13" order="1"/> <bond id="FRUCTOSE-6P-bond6" atomRefs="FRUCTOSE-6P-atom10 FRUCTOSE-6P-atom16" order="1"/> <bond id="FRUCTOSE-6P-bond7" atomRefs="FRUCTOSE-6P-atom13 FRUCTOSE-6P-atom9" order="1"/> <bond id="FRUCTOSE-6P-bond8" atomRefs="FRUCTOSE-6P-atom9 FRUCTOSE-6P-atom10" order="1"/> <bond id="FRUCTOSE-6P-bond9" atomRefs="FRUCTOSE-6P-atom15 FRUCTOSE-6P-atom8" order="1"/> <bond id="FRUCTOSE-6P-bond10" atomRefs="FRUCTOSE-6P-atom7 FRUCTOSE-6P-atom16" order="1"/> <bond id="FRUCTOSE-6P-bond11" atomRefs="FRUCTOSE-6P-atom6 FRUCTOSE-6P-atom16" order="1"/> <bond id="FRUCTOSE-6P-bond12" atomRefs="FRUCTOSE-6P-atom15 FRUCTOSE-6P-atom5" order="1"/> <bond id="FRUCTOSE-6P-bond13" atomRefs="FRUCTOSE-6P-atom14 FRUCTOSE-6P-atom4" order="1"/> <bond id="FRUCTOSE-6P-bond14" atomRefs="FRUCTOSE-6P-atom12 FRUCTOSE-6P-atom3" order="1"/> <bond id="FRUCTOSE-6P-bond15" atomRefs="FRUCTOSE-6P-atom2 FRUCTOSE-6P-atom8" order="1"/> <bond id="FRUCTOSE-6P-bond16" atomRefs="FRUCTOSE-6P-atom1 FRUCTOSE-6P-atom16" order="2"/> <formula concise="C 6 H 13 O 9 P 1" formalCharge="0"/> 260.137 C(O)C1(O)(OC(C(O)C1O)COP(O)(O)=O)
<atom id="PYRUVATE-atom1" elementType="C" x2="0.36301" y2="-0.2363"/> <atom id="PYRUVATE-atom2" elementType="C" x2="-1.0" y2="-0.2774"/> <atom id="PYRUVATE-atom3" elementType="O" x2="-0.34247" y2="0.87329"/> <atom id="PYRUVATE-atom4" elementType="C" x2="-0.34247" y2="0.10959"/> <atom id="PYRUVATE-atom5" elementType="O" x2="0.36301" y2="-1.0"/> <atom id="PYRUVATE-atom6" elementType="O" x2="0.99658" y2="0.18836"/> <bond id="PYRUVATE-bond1" atomRefs="PYRUVATE-atom6 PYRUVATE-atom1" order="1"/> <bond id="PYRUVATE-bond2" atomRefs="PYRUVATE-atom5 PYRUVATE-atom1" order="2"/> <bond id="PYRUVATE-bond3" atomRefs="PYRUVATE-atom4 PYRUVATE-atom1" order="1"/> <bond id="PYRUVATE-bond4" atomRefs="PYRUVATE-atom3 PYRUVATE-atom4" order="2"/> <bond id="PYRUVATE-bond5" atomRefs="PYRUVATE-atom2 PYRUVATE-atom4" order="1"/> <formula concise="C 3 H 4 O 3" formalCharge="0"/> 88.063 C(=O)(O)C(=O)C
<atom id="2-OXOBUTANOATE-atom1" elementType="O" x2="-0.01113" y2="0.22099"/> <atom id="2-OXOBUTANOATE-atom2" elementType="C" x2="-0.59936" y2="-0.53259"/> <atom id="2-OXOBUTANOATE-atom3" elementType="O" x2="0.55803" y2="-1.0"/> <atom id="2-OXOBUTANOATE-atom4" elementType="C" x2="-0.01113" y2="-0.24642"/> <atom id="2-OXOBUTANOATE-atom5" elementType="O" x2="0.99682" y2="-0.37043"/> <atom id="2-OXOBUTANOATE-atom6" elementType="C" x2="0.55803" y2="-0.53259"/> <atom id="2-OXOBUTANOATE-atom7" elementType="C" x2="-1.0" y2="-0.29412"/> <bond id="2-OXOBUTANOATE-bond1" atomRefs="2-OXOBUTANOATE-atom7 2-OXOBUTANOATE-atom2" order="1"/> <bond id="2-OXOBUTANOATE-bond2" atomRefs="2-OXOBUTANOATE-atom6 2-OXOBUTANOATE-atom3" order="2"/> <bond id="2-OXOBUTANOATE-bond3" atomRefs="2-OXOBUTANOATE-atom6 2-OXOBUTANOATE-atom5" order="1"/> <bond id="2-OXOBUTANOATE-bond4" atomRefs="2-OXOBUTANOATE-atom4 2-OXOBUTANOATE-atom1" order="2"/> <bond id="2-OXOBUTANOATE-bond5" atomRefs="2-OXOBUTANOATE-atom4 2-OXOBUTANOATE-atom6" order="1"/> <bond id="2-OXOBUTANOATE-bond6" atomRefs="2-OXOBUTANOATE-atom2 2-OXOBUTANOATE-atom4" order="1"/> <formula concise="C 4 H 6 O 3" formalCharge="0"/> 102.09 C(O)(=O)C(=O)CC 2-oxobutanoic acid
<atom id="L-ALPHA-ALANINE-atom1" elementType="C" x2="-0.23128" y2="0.33111"/> <atom id="L-ALPHA-ALANINE-atom2" elementType="C" x2="-0.23461" y2="-1.0"/> <atom id="L-ALPHA-ALANINE-atom3" elementType="O" x2="0.15474" y2="0.99667"/> <atom id="L-ALPHA-ALANINE-atom4" elementType="O" x2="-1.0" y2="0.33111"/> <atom id="L-ALPHA-ALANINE-atom5" elementType="C" x2="0.15474" y2="-0.33444"/> <atom id="L-ALPHA-ALANINE-atom6" elementType="N" x2="0.92346" y2="-0.33444"/> <bond id="L-ALPHA-ALANINE-bond1" atomRefs="L-ALPHA-ALANINE-atom6 L-ALPHA-ALANINE-atom5" order="1"/> <bond id="L-ALPHA-ALANINE-bond2" atomRefs="L-ALPHA-ALANINE-atom5 L-ALPHA-ALANINE-atom1" order="1"/> <bond id="L-ALPHA-ALANINE-bond3" atomRefs="L-ALPHA-ALANINE-atom4 L-ALPHA-ALANINE-atom1" order="2"/> <bond id="L-ALPHA-ALANINE-bond4" atomRefs="L-ALPHA-ALANINE-atom3 L-ALPHA-ALANINE-atom1" order="1"/> <bond id="L-ALPHA-ALANINE-bond5" atomRefs="L-ALPHA-ALANINE-atom2 L-ALPHA-ALANINE-atom5" order="1"/> <formula concise="C 3 H 7 N 1 O 2" formalCharge="0"/> 89.094 C(O)(=O)C(N)C
<atom id="6-CARBOXYHEXANOYL-COA-atom1" elementType="C" x2="6.4458" y2="2.9667"/> <atom id="6-CARBOXYHEXANOYL-COA-atom2" elementType="C" x2="7.0954" y2="3.3417"/> <atom id="6-CARBOXYHEXANOYL-COA-atom3" elementType="C" x2="7.7449" y2="2.9667"/> <atom id="6-CARBOXYHEXANOYL-COA-atom4" elementType="C" x2="8.3944" y2="3.3417"/> <atom id="6-CARBOXYHEXANOYL-COA-atom5" elementType="C" x2="5.7963" y2="3.3417"/> <atom id="6-CARBOXYHEXANOYL-COA-atom6" elementType="C" x2="9.0439" y2="2.9667"/> <atom id="6-CARBOXYHEXANOYL-COA-atom7" elementType="O" x2="9.0414" y2="2.2168"/> <atom id="6-CARBOXYHEXANOYL-COA-atom8" elementType="O" x2="9.6923" y2="3.3439"/> <atom id="6-CARBOXYHEXANOYL-COA-atom9" elementType="O" x2="-0.5336" y2="-0.4747"/> <atom id="6-CARBOXYHEXANOYL-COA-atom10" elementType="O" x2="-2.872" y2="0.227"/> <atom id="6-CARBOXYHEXANOYL-COA-atom11" elementType="C" x2="0.0866" y2="-0.0262"/> <atom id="6-CARBOXYHEXANOYL-COA-atom12" elementType="C" x2="-0.1405" y2="0.6784"/> <atom 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<formula concise="C 30 H 42 N 7 O 17 P 3 S 1" formalCharge="0"/> 897.68 CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C=Cc1(ccccc1))COP(=O)(O)OP(=O)(O)OC[CH]2(O[CH]([CH](O)[CH]2OP(O)(O)=O)n3(c4(c(nc3)c(N)ncn4)))
<atom id="ACETYLSERINE-atom1" elementType="O" x2="-0.47811" y2="0.07407"/> <atom id="ACETYLSERINE-atom2" elementType="O" x2="-1.0" y2="0.47138"/> <atom id="ACETYLSERINE-atom3" elementType="H" x2="0.12121" y2="0.04377"/> <atom id="ACETYLSERINE-atom4" elementType="C" x2="0.12121" y2="-0.47811"/> <atom id="ACETYLSERINE-atom5" elementType="C" x2="-0.47811" y2="-0.47811"/> <atom id="ACETYLSERINE-atom6" elementType="C" x2="-0.47811" y2="0.99327"/> <atom id="ACETYLSERINE-atom7" elementType="O" x2="0.99663" y2="-0.02357"/> <atom id="ACETYLSERINE-atom8" elementType="C" x2="-0.47811" y2="0.47138"/> <atom id="ACETYLSERINE-atom9" elementType="C" x2="0.73737" y2="-0.47811"/> <atom id="ACETYLSERINE-atom10" elementType="O" x2="0.99663" y2="-0.93266"/> <atom id="ACETYLSERINE-atom11" elementType="N" x2="0.12121" y2="-1.0"/> <bond id="ACETYLSERINE-bond1" atomRefs="ACETYLSERINE-atom10 ACETYLSERINE-atom9" order="1"/> <bond id="ACETYLSERINE-bond2" atomRefs="ACETYLSERINE-atom8 ACETYLSERINE-atom6" order="1"/> <bond id="ACETYLSERINE-bond3" atomRefs="ACETYLSERINE-atom7 ACETYLSERINE-atom9" order="2"/> <bond id="ACETYLSERINE-bond4" atomRefs="ACETYLSERINE-atom5 ACETYLSERINE-atom4" order="1"/> <bond id="ACETYLSERINE-bond5" atomRefs="ACETYLSERINE-atom4 ACETYLSERINE-atom9" order="1"/> <bond id="ACETYLSERINE-bond6" atomRefs="ACETYLSERINE-atom4 ACETYLSERINE-atom11" order="1"/> <bond id="ACETYLSERINE-bond7" atomRefs="ACETYLSERINE-atom4 ACETYLSERINE-atom3" order="1"/> <bond id="ACETYLSERINE-bond8" atomRefs="ACETYLSERINE-atom2 ACETYLSERINE-atom8" order="2"/> <bond id="ACETYLSERINE-bond9" atomRefs="ACETYLSERINE-atom1 ACETYLSERINE-atom5" order="1"/> <bond id="ACETYLSERINE-bond10" atomRefs="ACETYLSERINE-atom1 ACETYLSERINE-atom8" order="1"/> <formula concise="C 5 H 9 N 1 O 4" formalCharge="0"/> 147.13 C([CH](N)C(O)=O)OC(C)=O
<atom id="2-KETO-ISOVALERATE-atom1" elementType="O" x2="0.7373" y2="-1.2473"/> <atom id="2-KETO-ISOVALERATE-atom2" elementType="C" x2="-0.7521" y2="-1.2473"/> <atom id="2-KETO-ISOVALERATE-atom3" elementType="C" x2="-0.0272" y2="0.079"/> <atom id="2-KETO-ISOVALERATE-atom4" elementType="O" x2="-0.0272" y2="0.904"/> <atom id="2-KETO-ISOVALERATE-atom5" elementType="C" x2="-0.7521" y2="-0.4223"/> <atom id="2-KETO-ISOVALERATE-atom6" elementType="C" x2="-1.4666" y2="-0.0098"/> <atom id="2-KETO-ISOVALERATE-atom7" elementType="C" x2="0.7373" y2="-0.4223"/> <atom id="2-KETO-ISOVALERATE-atom8" elementType="O" x2="1.4517" y2="-0.0098"/> <bond id="2-KETO-ISOVALERATE-bond1" atomRefs="2-KETO-ISOVALERATE-atom7 2-KETO-ISOVALERATE-atom8" order="2"/> <bond id="2-KETO-ISOVALERATE-bond2" atomRefs="2-KETO-ISOVALERATE-atom5 2-KETO-ISOVALERATE-atom6" order="1"/> <bond id="2-KETO-ISOVALERATE-bond3" atomRefs="2-KETO-ISOVALERATE-atom3 2-KETO-ISOVALERATE-atom4" order="2"/> <bond id="2-KETO-ISOVALERATE-bond4" atomRefs="2-KETO-ISOVALERATE-atom5 2-KETO-ISOVALERATE-atom2" order="1"/> <bond id="2-KETO-ISOVALERATE-bond5" atomRefs="2-KETO-ISOVALERATE-atom7 2-KETO-ISOVALERATE-atom1" order="1"/> <bond id="2-KETO-ISOVALERATE-bond6" atomRefs="2-KETO-ISOVALERATE-atom5 2-KETO-ISOVALERATE-atom3" order="1"/> <bond id="2-KETO-ISOVALERATE-bond7" atomRefs="2-KETO-ISOVALERATE-atom7 2-KETO-ISOVALERATE-atom3" order="1"/> <formula concise="C 5 H 8 O 3" formalCharge="0"/> 116.116 CC(C)C(=O)C(=O)O
<atom id="CIT-atom1" elementType="O" x2="-0.62098" y2="0.17428"/> <atom id="CIT-atom2" elementType="O" x2="0.6176" y2="0.20135"/> <atom id="CIT-atom3" elementType="O" x2="-1.0" y2="-0.20474"/> <atom id="CIT-atom4" elementType="C" x2="-0.022" y2="-0.45516"/> <atom id="CIT-atom5" elementType="C" x2="-0.62098" y2="-0.20474"/> <atom id="CIT-atom6" elementType="C" x2="-0.022" y2="-0.7665"/> <atom id="CIT-atom7" elementType="C" x2="-0.47885" y2="-0.45516"/> <atom id="CIT-atom8" elementType="O" x2="-0.022" y2="-0.07614"/> <atom id="CIT-atom9" elementType="O" x2="0.27919" y2="-1.0"/> <atom id="CIT-atom10" elementType="C" x2="0.36379" y2="-0.45516"/> <atom id="CIT-atom11" elementType="O" x2="0.99662" y2="-0.17766"/> <atom id="CIT-atom12" elementType="O" x2="-0.3198" y2="-1.0"/> <atom id="CIT-atom13" elementType="C" x2="0.6176" y2="-0.17766"/> <bond id="CIT-bond1" atomRefs="CIT-atom13 CIT-atom10" order="1"/> <bond id="CIT-bond2" atomRefs="CIT-atom12 CIT-atom6" order="1"/> <bond id="CIT-bond3" atomRefs="CIT-atom11 CIT-atom13" order="1"/> <bond id="CIT-bond4" atomRefs="CIT-atom10 CIT-atom4" order="1"/> <bond id="CIT-bond5" atomRefs="CIT-atom9 CIT-atom6" order="2"/> <bond id="CIT-bond6" atomRefs="CIT-atom8 CIT-atom4" order="1"/> <bond id="CIT-bond7" atomRefs="CIT-atom7 CIT-atom4" order="1"/> <bond id="CIT-bond8" atomRefs="CIT-atom6 CIT-atom4" order="1"/> <bond id="CIT-bond9" atomRefs="CIT-atom5 CIT-atom7" order="1"/> <bond id="CIT-bond10" atomRefs="CIT-atom3 CIT-atom5" order="1"/> <bond id="CIT-bond11" atomRefs="CIT-atom2 CIT-atom13" order="2"/> <bond id="CIT-bond12" atomRefs="CIT-atom1 CIT-atom5" order="2"/> <formula concise="C 6 H 8 O 7" formalCharge="0"/> 192.125 C(=O)(O)CC(C(O)=O)(O)CC(O)=O
2-hydroxy-1,2,3-propanetricarboxylic acid
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<bond id="3-HYDROXY-3-METHYL-GLUTARYL-COA-bond9" atomRefs="3-HYDROXY-3-METHYL-GLUTARYL-COA-atom55 3-HYDROXY-3-METHYL-GLUTARYL-COA-atom62" order="1"/> <bond id="3-HYDROXY-3-METHYL-GLUTARYL-COA-bond10" atomRefs="3-HYDROXY-3-METHYL-GLUTARYL-COA-atom54 3-HYDROXY-3-METHYL-GLUTARYL-COA-atom36" order="1"/> <bond id="3-HYDROXY-3-METHYL-GLUTARYL-COA-bond11" atomRefs="3-HYDROXY-3-METHYL-GLUTARYL-COA-atom53 3-HYDROXY-3-METHYL-GLUTARYL-COA-atom56" order="1"/> <bond id="3-HYDROXY-3-METHYL-GLUTARYL-COA-bond12" atomRefs="3-HYDROXY-3-METHYL-GLUTARYL-COA-atom52 3-HYDROXY-3-METHYL-GLUTARYL-COA-atom34" order="1"/> <bond id="3-HYDROXY-3-METHYL-GLUTARYL-COA-bond13" atomRefs="3-HYDROXY-3-METHYL-GLUTARYL-COA-atom51 3-HYDROXY-3-METHYL-GLUTARYL-COA-atom56" order="1"/> <bond id="3-HYDROXY-3-METHYL-GLUTARYL-COA-bond14" atomRefs="3-HYDROXY-3-METHYL-GLUTARYL-COA-atom28 3-HYDROXY-3-METHYL-GLUTARYL-COA-atom50" order="A"/> <bond id="3-HYDROXY-3-METHYL-GLUTARYL-COA-bond15" atomRefs="3-HYDROXY-3-METHYL-GLUTARYL-COA-atom49 3-HYDROXY-3-METHYL-GLUTARYL-COA-atom21" order="1"/> <bond id="3-HYDROXY-3-METHYL-GLUTARYL-COA-bond16" atomRefs="3-HYDROXY-3-METHYL-GLUTARYL-COA-atom48 3-HYDROXY-3-METHYL-GLUTARYL-COA-atom43" order="1"/> <bond id="3-HYDROXY-3-METHYL-GLUTARYL-COA-bond17" atomRefs="3-HYDROXY-3-METHYL-GLUTARYL-COA-atom47 3-HYDROXY-3-METHYL-GLUTARYL-COA-atom11" order="A"/> <bond id="3-HYDROXY-3-METHYL-GLUTARYL-COA-bond18" atomRefs="3-HYDROXY-3-METHYL-GLUTARYL-COA-atom40 3-HYDROXY-3-METHYL-GLUTARYL-COA-atom47" order="A"/> <bond id="3-HYDROXY-3-METHYL-GLUTARYL-COA-bond19" atomRefs="3-HYDROXY-3-METHYL-GLUTARYL-COA-atom46 3-HYDROXY-3-METHYL-GLUTARYL-COA-atom52" order="2"/> <bond id="3-HYDROXY-3-METHYL-GLUTARYL-COA-bond20" atomRefs="3-HYDROXY-3-METHYL-GLUTARYL-COA-atom45 3-HYDROXY-3-METHYL-GLUTARYL-COA-atom58" order="1"/> <bond id="3-HYDROXY-3-METHYL-GLUTARYL-COA-bond21" atomRefs="3-HYDROXY-3-METHYL-GLUTARYL-COA-atom44 3-HYDROXY-3-METHYL-GLUTARYL-COA-atom36" order="2"/> <bond id="3-HYDROXY-3-METHYL-GLUTARYL-COA-bond22" atomRefs="3-HYDROXY-3-METHYL-GLUTARYL-COA-atom43 3-HYDROXY-3-METHYL-GLUTARYL-COA-atom22" order="1"/> <bond id="3-HYDROXY-3-METHYL-GLUTARYL-COA-bond23" atomRefs="3-HYDROXY-3-METHYL-GLUTARYL-COA-atom42 3-HYDROXY-3-METHYL-GLUTARYL-COA-atom39" order="1"/> <bond id="3-HYDROXY-3-METHYL-GLUTARYL-COA-bond24" atomRefs="3-HYDROXY-3-METHYL-GLUTARYL-COA-atom41 3-HYDROXY-3-METHYL-GLUTARYL-COA-atom27" order="1"/> <bond id="3-HYDROXY-3-METHYL-GLUTARYL-COA-bond25" atomRefs="3-HYDROXY-3-METHYL-GLUTARYL-COA-atom50 3-HYDROXY-3-METHYL-GLUTARYL-COA-atom40" order="A"/> <bond id="3-HYDROXY-3-METHYL-GLUTARYL-COA-bond26" atomRefs="3-HYDROXY-3-METHYL-GLUTARYL-COA-atom39 3-HYDROXY-3-METHYL-GLUTARYL-COA-atom61" order="1"/> <bond id="3-HYDROXY-3-METHYL-GLUTARYL-COA-bond27" atomRefs="3-HYDROXY-3-METHYL-GLUTARYL-COA-atom38 3-HYDROXY-3-METHYL-GLUTARYL-COA-atom27" order="1"/> <bond id="3-HYDROXY-3-METHYL-GLUTARYL-COA-bond28" 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atomRefs="3-HYDROXY-3-METHYL-GLUTARYL-COA-atom24 3-HYDROXY-3-METHYL-GLUTARYL-COA-atom56" order="1"/> <bond id="3-HYDROXY-3-METHYL-GLUTARYL-COA-bond42" atomRefs="3-HYDROXY-3-METHYL-GLUTARYL-COA-atom23 3-HYDROXY-3-METHYL-GLUTARYL-COA-atom27" order="1"/> <bond id="3-HYDROXY-3-METHYL-GLUTARYL-COA-bond43" atomRefs="3-HYDROXY-3-METHYL-GLUTARYL-COA-atom22 3-HYDROXY-3-METHYL-GLUTARYL-COA-atom42" order="1"/> <bond id="3-HYDROXY-3-METHYL-GLUTARYL-COA-bond44" atomRefs="3-HYDROXY-3-METHYL-GLUTARYL-COA-atom21 3-HYDROXY-3-METHYL-GLUTARYL-COA-atom45" order="1"/> <bond id="3-HYDROXY-3-METHYL-GLUTARYL-COA-bond45" atomRefs="3-HYDROXY-3-METHYL-GLUTARYL-COA-atom20 3-HYDROXY-3-METHYL-GLUTARYL-COA-atom9" order="2"/> <bond id="3-HYDROXY-3-METHYL-GLUTARYL-COA-bond46" atomRefs="3-HYDROXY-3-METHYL-GLUTARYL-COA-atom19 3-HYDROXY-3-METHYL-GLUTARYL-COA-atom55" order="1"/> <bond id="3-HYDROXY-3-METHYL-GLUTARYL-COA-bond47" atomRefs="3-HYDROXY-3-METHYL-GLUTARYL-COA-atom18 3-HYDROXY-3-METHYL-GLUTARYL-COA-atom53" order="1"/> <bond id="3-HYDROXY-3-METHYL-GLUTARYL-COA-bond48" atomRefs="3-HYDROXY-3-METHYL-GLUTARYL-COA-atom17 3-HYDROXY-3-METHYL-GLUTARYL-COA-atom52" order="1"/> <bond id="3-HYDROXY-3-METHYL-GLUTARYL-COA-bond49" atomRefs="3-HYDROXY-3-METHYL-GLUTARYL-COA-atom16 3-HYDROXY-3-METHYL-GLUTARYL-COA-atom33" order="1"/> <bond id="3-HYDROXY-3-METHYL-GLUTARYL-COA-bond50" atomRefs="3-HYDROXY-3-METHYL-GLUTARYL-COA-atom15 3-HYDROXY-3-METHYL-GLUTARYL-COA-atom1" order="1"/> <bond id="3-HYDROXY-3-METHYL-GLUTARYL-COA-bond51" atomRefs="3-HYDROXY-3-METHYL-GLUTARYL-COA-atom14 3-HYDROXY-3-METHYL-GLUTARYL-COA-atom25" order="1"/> <bond id="3-HYDROXY-3-METHYL-GLUTARYL-COA-bond52" atomRefs="3-HYDROXY-3-METHYL-GLUTARYL-COA-atom13 3-HYDROXY-3-METHYL-GLUTARYL-COA-atom31" order="A"/> <bond id="3-HYDROXY-3-METHYL-GLUTARYL-COA-bond53" atomRefs="3-HYDROXY-3-METHYL-GLUTARYL-COA-atom12 3-HYDROXY-3-METHYL-GLUTARYL-COA-atom58" order="1"/> <bond id="3-HYDROXY-3-METHYL-GLUTARYL-COA-bond54" atomRefs="3-HYDROXY-3-METHYL-GLUTARYL-COA-atom11 3-HYDROXY-3-METHYL-GLUTARYL-COA-atom28" order="A"/> <bond id="3-HYDROXY-3-METHYL-GLUTARYL-COA-bond55" atomRefs="3-HYDROXY-3-METHYL-GLUTARYL-COA-atom10 3-HYDROXY-3-METHYL-GLUTARYL-COA-atom19" order="2"/> <bond id="3-HYDROXY-3-METHYL-GLUTARYL-COA-bond56" atomRefs="3-HYDROXY-3-METHYL-GLUTARYL-COA-atom9 3-HYDROXY-3-METHYL-GLUTARYL-COA-atom23" order="1"/> <bond id="3-HYDROXY-3-METHYL-GLUTARYL-COA-bond57" atomRefs="3-HYDROXY-3-METHYL-GLUTARYL-COA-atom8 3-HYDROXY-3-METHYL-GLUTARYL-COA-atom3" order="1"/> <bond id="3-HYDROXY-3-METHYL-GLUTARYL-COA-bond58" atomRefs="3-HYDROXY-3-METHYL-GLUTARYL-COA-atom7 3-HYDROXY-3-METHYL-GLUTARYL-COA-atom49" order="2"/> <bond id="3-HYDROXY-3-METHYL-GLUTARYL-COA-bond59" atomRefs="3-HYDROXY-3-METHYL-GLUTARYL-COA-atom6 3-HYDROXY-3-METHYL-GLUTARYL-COA-atom50" order="A"/> <bond id="3-HYDROXY-3-METHYL-GLUTARYL-COA-bond60" atomRefs="3-HYDROXY-3-METHYL-GLUTARYL-COA-atom5 3-HYDROXY-3-METHYL-GLUTARYL-COA-atom23" order="1"/> <bond id="3-HYDROXY-3-METHYL-GLUTARYL-COA-bond61" atomRefs="3-HYDROXY-3-METHYL-GLUTARYL-COA-atom4 3-HYDROXY-3-METHYL-GLUTARYL-COA-atom36" order="1"/> <bond id="3-HYDROXY-3-METHYL-GLUTARYL-COA-bond62" atomRefs="3-HYDROXY-3-METHYL-GLUTARYL-COA-atom2 3-HYDROXY-3-METHYL-GLUTARYL-COA-atom18" order="2"/> <bond id="3-HYDROXY-3-METHYL-GLUTARYL-COA-bond63" atomRefs="3-HYDROXY-3-METHYL-GLUTARYL-COA-atom1 3-HYDROXY-3-METHYL-GLUTARYL-COA-atom28" order="1"/> <bond id="3-HYDROXY-3-METHYL-GLUTARYL-COA-bond64" atomRefs="3-HYDROXY-3-METHYL-GLUTARYL-COA-atom1 3-HYDROXY-3-METHYL-GLUTARYL-COA-atom3" order="1"/> <formula concise="C 27 H 44 N 7 O 20 P 3 S 1" formalCharge="0"/> 911.661 [CH]3(n1(c2(c(nc1)c(N)ncn2)))(O[CH]([CH]([CH](O)3)OP(=O)(O)O)COP(=O)(O)OP(O)(=O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)CC(C)(O)CC(O)=O) Coenzyme A, S-(hydrogen 3-hydroxy-3-methylpentanedioate)
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id="GDP-D-GLUCOSE-bond11" atomRefs="GDP-D-GLUCOSE-atom37 GDP-D-GLUCOSE-atom25" order="A"/> <bond id="GDP-D-GLUCOSE-bond12" atomRefs="GDP-D-GLUCOSE-atom25 GDP-D-GLUCOSE-atom26" order="A"/> <bond id="GDP-D-GLUCOSE-bond13" atomRefs="GDP-D-GLUCOSE-atom24 GDP-D-GLUCOSE-atom37" order="A"/> <bond id="GDP-D-GLUCOSE-bond14" atomRefs="GDP-D-GLUCOSE-atom23 GDP-D-GLUCOSE-atom40" order="1"/> <bond id="GDP-D-GLUCOSE-bond15" atomRefs="GDP-D-GLUCOSE-atom23 GDP-D-GLUCOSE-atom39" order="1"/> <bond id="GDP-D-GLUCOSE-bond16" atomRefs="GDP-D-GLUCOSE-atom22 GDP-D-GLUCOSE-atom40" order="1"/> <bond id="GDP-D-GLUCOSE-bond17" atomRefs="GDP-D-GLUCOSE-atom22 GDP-D-GLUCOSE-atom35" order="1"/> <bond id="GDP-D-GLUCOSE-bond18" atomRefs="GDP-D-GLUCOSE-atom21 GDP-D-GLUCOSE-atom36" order="1"/> <bond id="GDP-D-GLUCOSE-bond19" atomRefs="GDP-D-GLUCOSE-atom21 GDP-D-GLUCOSE-atom29" order="1"/> <bond id="GDP-D-GLUCOSE-bond20" atomRefs="GDP-D-GLUCOSE-atom20 GDP-D-GLUCOSE-atom35" order="1"/> <bond id="GDP-D-GLUCOSE-bond21" atomRefs="GDP-D-GLUCOSE-atom20 GDP-D-GLUCOSE-atom28" order="1"/> <bond id="GDP-D-GLUCOSE-bond22" atomRefs="GDP-D-GLUCOSE-atom19 GDP-D-GLUCOSE-atom39" order="1"/> <bond id="GDP-D-GLUCOSE-bond23" atomRefs="GDP-D-GLUCOSE-atom27 GDP-D-GLUCOSE-atom18" order="A"/> <bond id="GDP-D-GLUCOSE-bond24" atomRefs="GDP-D-GLUCOSE-atom18 GDP-D-GLUCOSE-atom24" order="A"/> <bond id="GDP-D-GLUCOSE-bond25" atomRefs="GDP-D-GLUCOSE-atom17 GDP-D-GLUCOSE-atom26" order="A"/> <bond id="GDP-D-GLUCOSE-bond26" atomRefs="GDP-D-GLUCOSE-atom29 GDP-D-GLUCOSE-atom16" order="1"/> <bond id="GDP-D-GLUCOSE-bond27" atomRefs="GDP-D-GLUCOSE-atom16 GDP-D-GLUCOSE-atom19" order="1"/> <bond id="GDP-D-GLUCOSE-bond28" atomRefs="GDP-D-GLUCOSE-atom28 GDP-D-GLUCOSE-atom15" order="1"/> <bond id="GDP-D-GLUCOSE-bond29" atomRefs="GDP-D-GLUCOSE-atom38 GDP-D-GLUCOSE-atom14" order="A"/> <bond id="GDP-D-GLUCOSE-bond30" atomRefs="GDP-D-GLUCOSE-atom14 GDP-D-GLUCOSE-atom17" order="A"/> <bond id="GDP-D-GLUCOSE-bond31" atomRefs="GDP-D-GLUCOSE-atom13 GDP-D-GLUCOSE-atom40" order="1"/> <bond id="GDP-D-GLUCOSE-bond32" atomRefs="GDP-D-GLUCOSE-atom12 GDP-D-GLUCOSE-atom39" order="1"/> <bond id="GDP-D-GLUCOSE-bond33" atomRefs="GDP-D-GLUCOSE-atom34 GDP-D-GLUCOSE-atom11" order="1"/> <bond id="GDP-D-GLUCOSE-bond34" atomRefs="GDP-D-GLUCOSE-atom33 GDP-D-GLUCOSE-atom10" order="1"/> <bond id="GDP-D-GLUCOSE-bond35" atomRefs="GDP-D-GLUCOSE-atom32 GDP-D-GLUCOSE-atom9" order="1"/> <bond id="GDP-D-GLUCOSE-bond36" atomRefs="GDP-D-GLUCOSE-atom31 GDP-D-GLUCOSE-atom8" order="1"/> <bond id="GDP-D-GLUCOSE-bond37" atomRefs="GDP-D-GLUCOSE-atom30 GDP-D-GLUCOSE-atom7" order="1"/> <bond id="GDP-D-GLUCOSE-bond38" atomRefs="GDP-D-GLUCOSE-atom6 GDP-D-GLUCOSE-atom15" order="1"/> <bond id="GDP-D-GLUCOSE-bond39" atomRefs="GDP-D-GLUCOSE-atom5 GDP-D-GLUCOSE-atom40" order="2"/> <bond id="GDP-D-GLUCOSE-bond40" atomRefs="GDP-D-GLUCOSE-atom4 GDP-D-GLUCOSE-atom39" order="2"/> <bond id="GDP-D-GLUCOSE-bond41" atomRefs="GDP-D-GLUCOSE-atom3 GDP-D-GLUCOSE-atom25" order="2"/> <bond id="GDP-D-GLUCOSE-bond42" atomRefs="GDP-D-GLUCOSE-atom2 GDP-D-GLUCOSE-atom24" order="1"/> <bond id="GDP-D-GLUCOSE-bond43" atomRefs="GDP-D-GLUCOSE-atom1 GDP-D-GLUCOSE-atom37" order="1"/> <formula concise="C 16 H 25 N 5 O 16 P 2" formalCharge="0"/> 605.345 C(O)C1(OC(C(O)C(O)C1O)OP(=O)(O)OP(=O)(O)OCC2(OC(C(O)C2O)n3(c4(c(nc3)c(=O)[nH]c(n4)N))))
<atom id="ALPHA-GLC-6-P-atom1" elementType="O" x2="1.3935" y2="-2.1239"/> <atom id="ALPHA-GLC-6-P-atom2" elementType="O" x2="8.8478" y2="-4.2202"/> <atom id="ALPHA-GLC-6-P-atom3" elementType="O" x2="8.8512" y2="-1.4132"/> <atom id="ALPHA-GLC-6-P-atom4" elementType="O" x2="6.4136" y2="0.0"/> <atom id="ALPHA-GLC-6-P-atom5" elementType="O" x2="3.9975" y2="-1.4165"/> <atom id="ALPHA-GLC-6-P-atom6" elementType="O" x2="1.3953" y2="-4.9145"/> <atom id="ALPHA-GLC-6-P-atom7" elementType="O" x2="0.0" y2="-3.5192"/> <atom id="ALPHA-GLC-6-P-atom8" elementType="C" x2="4.0007" y2="-4.2168"/> <atom id="ALPHA-GLC-6-P-atom9" elementType="O" x2="2.7923" y2="-3.5192"/> <atom id="ALPHA-GLC-6-P-atom10" elementType="O" x2="6.4175" y2="-4.2168"/> <atom id="ALPHA-GLC-6-P-atom11" elementType="C" x2="7.6413" y2="-3.5192"/> <atom id="ALPHA-GLC-6-P-atom12" elementType="C" x2="7.6413" y2="-2.1084"/> <atom id="ALPHA-GLC-6-P-atom13" elementType="C" x2="6.4175" y2="-1.3953"/> <atom id="ALPHA-GLC-6-P-atom14" elementType="C" x2="5.2092" y2="-2.1084"/> <atom id="ALPHA-GLC-6-P-atom15" elementType="C" x2="5.2092" y2="-3.5192"/> <atom id="ALPHA-GLC-6-P-atom16" elementType="P" x2="1.3953" y2="-3.5192"/> <bond id="ALPHA-GLC-6-P-bond1" atomRefs="ALPHA-GLC-6-P-atom14 ALPHA-GLC-6-P-atom15" order="1"/> <bond id="ALPHA-GLC-6-P-bond2" atomRefs="ALPHA-GLC-6-P-atom13 ALPHA-GLC-6-P-atom14" order="1"/> <bond id="ALPHA-GLC-6-P-bond3" atomRefs="ALPHA-GLC-6-P-atom12 ALPHA-GLC-6-P-atom13" order="1"/> <bond id="ALPHA-GLC-6-P-bond4" atomRefs="ALPHA-GLC-6-P-atom11 ALPHA-GLC-6-P-atom12" order="1"/> <bond id="ALPHA-GLC-6-P-bond5" atomRefs="ALPHA-GLC-6-P-atom10 ALPHA-GLC-6-P-atom15" order="1"/> <bond id="ALPHA-GLC-6-P-bond6" atomRefs="ALPHA-GLC-6-P-atom10 ALPHA-GLC-6-P-atom11" order="1"/> <bond id="ALPHA-GLC-6-P-bond7" atomRefs="ALPHA-GLC-6-P-atom9 ALPHA-GLC-6-P-atom16" order="1"/> <bond id="ALPHA-GLC-6-P-bond8" atomRefs="ALPHA-GLC-6-P-atom15 ALPHA-GLC-6-P-atom8" order="1"/> <bond id="ALPHA-GLC-6-P-bond9" atomRefs="ALPHA-GLC-6-P-atom8 ALPHA-GLC-6-P-atom9" order="1"/> <bond id="ALPHA-GLC-6-P-bond10" atomRefs="ALPHA-GLC-6-P-atom7 ALPHA-GLC-6-P-atom16" order="1"/> <bond id="ALPHA-GLC-6-P-bond11" atomRefs="ALPHA-GLC-6-P-atom6 ALPHA-GLC-6-P-atom16" order="1"/> <bond id="ALPHA-GLC-6-P-bond12" atomRefs="ALPHA-GLC-6-P-atom14 ALPHA-GLC-6-P-atom5" order="1"/> <bond id="ALPHA-GLC-6-P-bond13" atomRefs="ALPHA-GLC-6-P-atom13 ALPHA-GLC-6-P-atom4" order="1"/> <bond id="ALPHA-GLC-6-P-bond14" atomRefs="ALPHA-GLC-6-P-atom12 ALPHA-GLC-6-P-atom3" order="1"/> <bond id="ALPHA-GLC-6-P-bond15" atomRefs="ALPHA-GLC-6-P-atom11 ALPHA-GLC-6-P-atom2" order="1"/> <bond id="ALPHA-GLC-6-P-bond16" atomRefs="ALPHA-GLC-6-P-atom1 ALPHA-GLC-6-P-atom16" order="2"/> <formula concise="C 6 H 13 O 9 P 1" formalCharge="0"/> 260.137 C(OP(O)(O)=O)C1(C(O)C(O)C(O)C(O1)O)
alpha,alpha-trehalose-phosphate synthase (GDP-forming)
<atom id="TREHALOSE-6P-atom1" elementType="C" x2="3.2792" y2="3.3083"/> <atom id="TREHALOSE-6P-atom2" elementType="C" x2="3.2792" y2="4.0667"/> <atom id="TREHALOSE-6P-atom3" elementType="C" x2="2.6296" y2="4.45"/> <atom id="TREHALOSE-6P-atom4" elementType="C" x2="1.9718" y2="4.0667"/> <atom id="TREHALOSE-6P-atom5" elementType="C" x2="1.9718" y2="3.3083"/> <atom id="TREHALOSE-6P-atom6" elementType="O" x2="2.6296" y2="2.9333"/> <atom id="TREHALOSE-6P-atom7" elementType="C" x2="3.9287" y2="2.9333"/> <atom id="TREHALOSE-6P-atom8" elementType="O" x2="2.6317" y2="5.2"/> <atom id="TREHALOSE-6P-atom9" elementType="O" x2="3.9305" y2="4.4386"/> <atom id="TREHALOSE-6P-atom10" elementType="O" x2="1.0233" y2="2.7524"/> <atom id="TREHALOSE-6P-atom11" elementType="O" x2="1.3215" y2="4.2529"/> <atom id="TREHALOSE-6P-atom12" elementType="O" x2="4.5782" y2="3.3083"/> <atom id="TREHALOSE-6P-atom13" elementType="C" x2="-1.2958" y2="3.3083"/> <atom id="TREHALOSE-6P-atom14" elementType="C" x2="-1.2958" y2="4.0667"/> <atom id="TREHALOSE-6P-atom15" elementType="C" x2="-0.6463" y2="4.45"/> <atom id="TREHALOSE-6P-atom16" elementType="C" x2="0.0115" y2="4.0667"/> <atom id="TREHALOSE-6P-atom17" elementType="C" x2="0.0115" y2="3.3083"/> <atom id="TREHALOSE-6P-atom18" elementType="O" x2="-0.6463" y2="2.9333"/> <atom id="TREHALOSE-6P-atom19" elementType="C" x2="-1.9454" y2="2.9333"/> <atom id="TREHALOSE-6P-atom20" elementType="O" x2="-0.6484" y2="5.2"/> <atom id="TREHALOSE-6P-atom21" elementType="O" x2="-1.9471" y2="4.4386"/> <atom id="TREHALOSE-6P-atom22" elementType="O" x2="0.5743" y2="4.7945"/> <atom id="TREHALOSE-6P-atom23" elementType="O" x2="-2.5949" y2="3.3083"/> <atom id="TREHALOSE-6P-atom24" elementType="P" x2="5.325" y2="3.3083"/> <atom id="TREHALOSE-6P-atom25" elementType="O" x2="6.075" y2="3.3083"/> <atom id="TREHALOSE-6P-atom26" elementType="O" x2="5.325" y2="2.5583"/> <atom id="TREHALOSE-6P-atom27" elementType="O" x2="5.3218" y2="4.0583"/> <bond id="TREHALOSE-6P-bond1" atomRefs="TREHALOSE-6P-atom24 TREHALOSE-6P-atom27" order="2"/> <bond id="TREHALOSE-6P-bond2" atomRefs="TREHALOSE-6P-atom24 TREHALOSE-6P-atom26" order="1"/> <bond id="TREHALOSE-6P-bond3" atomRefs="TREHALOSE-6P-atom24 TREHALOSE-6P-atom25" order="1"/> <bond id="TREHALOSE-6P-bond4" atomRefs="TREHALOSE-6P-atom12 TREHALOSE-6P-atom24" order="1"/> <bond id="TREHALOSE-6P-bond5" atomRefs="TREHALOSE-6P-atom19 TREHALOSE-6P-atom23" order="1"/> <bond id="TREHALOSE-6P-bond6" atomRefs="TREHALOSE-6P-atom17 TREHALOSE-6P-atom10" order="1"/> <bond id="TREHALOSE-6P-bond7" atomRefs="TREHALOSE-6P-atom16 TREHALOSE-6P-atom22" order="1"/> <bond id="TREHALOSE-6P-bond8" atomRefs="TREHALOSE-6P-atom14 TREHALOSE-6P-atom21" order="1"/> <bond id="TREHALOSE-6P-bond9" atomRefs="TREHALOSE-6P-atom15 TREHALOSE-6P-atom20" order="1"/> <bond id="TREHALOSE-6P-bond10" atomRefs="TREHALOSE-6P-atom13 TREHALOSE-6P-atom19" order="1"/> <bond id="TREHALOSE-6P-bond11" atomRefs="TREHALOSE-6P-atom17 TREHALOSE-6P-atom18" order="1"/> <bond id="TREHALOSE-6P-bond12" atomRefs="TREHALOSE-6P-atom16 TREHALOSE-6P-atom17" order="1"/> <bond id="TREHALOSE-6P-bond13" atomRefs="TREHALOSE-6P-atom15 TREHALOSE-6P-atom16" order="1"/> <bond id="TREHALOSE-6P-bond14" atomRefs="TREHALOSE-6P-atom14 TREHALOSE-6P-atom15" order="1"/> <bond id="TREHALOSE-6P-bond15" atomRefs="TREHALOSE-6P-atom13 TREHALOSE-6P-atom14" order="1"/> <bond id="TREHALOSE-6P-bond16" atomRefs="TREHALOSE-6P-atom13 TREHALOSE-6P-atom18" order="1"/> <bond id="TREHALOSE-6P-bond17" atomRefs="TREHALOSE-6P-atom7 TREHALOSE-6P-atom12" order="1"/> <bond id="TREHALOSE-6P-bond18" atomRefs="TREHALOSE-6P-atom4 TREHALOSE-6P-atom11" order="1"/> <bond id="TREHALOSE-6P-bond19" atomRefs="TREHALOSE-6P-atom5 TREHALOSE-6P-atom10" order="1"/> <bond id="TREHALOSE-6P-bond20" atomRefs="TREHALOSE-6P-atom2 TREHALOSE-6P-atom9" order="1"/> <bond id="TREHALOSE-6P-bond21" atomRefs="TREHALOSE-6P-atom3 TREHALOSE-6P-atom8" order="1"/> <bond id="TREHALOSE-6P-bond22" atomRefs="TREHALOSE-6P-atom1 TREHALOSE-6P-atom7" order="1"/> <bond id="TREHALOSE-6P-bond23" atomRefs="TREHALOSE-6P-atom5 TREHALOSE-6P-atom6" order="1"/> <bond id="TREHALOSE-6P-bond24" atomRefs="TREHALOSE-6P-atom4 TREHALOSE-6P-atom5" order="1"/> <bond id="TREHALOSE-6P-bond25" atomRefs="TREHALOSE-6P-atom3 TREHALOSE-6P-atom4" order="1"/> <bond id="TREHALOSE-6P-bond26" atomRefs="TREHALOSE-6P-atom2 TREHALOSE-6P-atom3" order="1"/> <bond id="TREHALOSE-6P-bond27" atomRefs="TREHALOSE-6P-atom1 TREHALOSE-6P-atom2" order="1"/> <bond id="TREHALOSE-6P-bond28" atomRefs="TREHALOSE-6P-atom1 TREHALOSE-6P-atom6" order="1"/> <formula concise="C 12 H 23 O 14 P 1" formalCharge="0"/> 422.279 C1(OC(COP(O)(=O)O)C(O)C(O)C(O)1)(OC2(OC(CO)C(O)C(O)C(O)2))
Trehalose phosphate synthase (GDP-forming)
GDP-glucose-glucosephosphate glucosyltransferase
GDP-glucose-cellulose glucosyltransferase
GDP-glucose-β-D-glucan glucosyltransferase
This compound class stands for 1,4-β-D-glucosyl polymers.
UDP-glucose-cellulose glucosyltransferase
UDP-glucose-β-D-glucan glucosyltransferase
UDP-glucose flavonol 3,O-glucosyltransferase
Glycogen is a glucose-containing polysaccharide, comprised of approximately 95% α-1,4 linkages and the remainder α-1,6 branch glucosyl linkages, which occur approximately every 12 glucose residues. The average chain length is about 12 to 14 glucose units.
<atom id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom1" elementType="C" x2="-1.2494" y2="-3.7161"/> <atom id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom2" elementType="C" x2="-0.6932" y2="-2.1926"/> <atom id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom3" elementType="O" x2="-2.6682" y2="-4.4255"/> <atom id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom4" elementType="C" x2="-0.2257" y2="-4.8285"/> <atom id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom5" elementType="O" x2="0.8625" y2="-1.9427"/> <atom id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom6" elementType="C" x2="-1.7009" y2="-1.0076"/> <atom id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom7" elementType="C" x2="-4.1191" y2="-3.9337"/> <atom id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom8" elementType="C" x2="1.2414" y2="-4.5706"/> <atom id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom9" elementType="O" x2="-0.7094" y2="-6.2956"/> <atom id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom10" elementType="C" x2="1.8057" y2="-3.176"/> <atom id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom11" elementType="O" x2="-0.9351" y2="0.3144"/> <atom id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom12" elementType="O" x2="-4.6834" y2="-2.507"/> <atom id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom13" elementType="C" x2="-5.1026" y2="-5.1671"/> <atom id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom14" elementType="O" x2="2.2087" y2="-5.7636"/> <atom id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom15" elementType="O" x2="3.3695" y2="-3.3775"/> <atom id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom16" elementType="C" x2="-1.9346" y2="1.4832"/> <atom id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom17" elementType="C" x2="-6.2311" y2="-2.3135"/> <atom id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom18" elementType="C" x2="-6.5939" y2="-4.9655"/> <atom id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom19" elementType="O" x2="-4.5303" y2="-6.6019"/> <atom id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom20" elementType="C" x2="4.5706" y2="-2.4263"/> <atom id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom21" elementType="O" x2="-1.4187" y2="2.9261"/> <atom id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom22" elementType="C" x2="-3.442" y2="1.2011"/> <atom id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom23" elementType="C" x2="-7.1823" y2="-3.5549"/> <atom id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom24" elementType="C" x2="-6.9082" y2="-0.9109"/> <atom id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom25" elementType="O" x2="-7.537" y2="-6.1908"/> <atom id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom26" elementType="C" x2="4.6512" y2="-0.8867"/> <atom id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom27" elementType="C" x2="5.8926" y2="-3.2244"/> <atom id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom28" elementType="C" x2="-2.4183" y2="4.095"/> <atom id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom29" elementType="C" x2="-4.4416" y2="2.3619"/> <atom id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom30" elementType="O" x2="-3.9337" y2="-0.266"/> <atom id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom31" elementType="O" x2="-8.7058" y2="-3.3856"/> <atom id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom32" elementType="O" x2="-5.8764" y2="0.1854"/> <atom id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom33" elementType="O" x2="6.0296" y2="-0.1693"/> <atom id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom34" elementType="C" x2="3.4098" y2="-0.0161"/> <atom id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom35" elementType="C" x2="7.2146" y2="-2.5392"/> <atom id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom36" elementType="O" x2="5.8361" y2="-4.7721"/> <atom id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom37" elementType="C" x2="-3.9337" y2="3.8128"/> <atom id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom38" elementType="C" x2="-1.7815" y2="5.5701"/> <atom id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom39" elementType="O" x2="-5.949" y2="2.0475"/> <atom id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom40" elementType="C" x2="7.3113" y2="-0.9996"/> <atom id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom41" elementType="O" x2="3.8854" y2="1.459"/> <atom id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom42" elementType="O" x2="8.4882" y2="-3.3856"/> <atom id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom43" elementType="O" x2="-4.9817" y2="4.9817"/> <atom id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom44" elementType="O" x2="-2.8697" y2="6.6342"/> <atom id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom45" elementType="O" x2="8.6978" y2="-0.3063"/> <bond id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-bond1" atomRefs="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom40 6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom35" order="1"/> <bond id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-bond2" atomRefs="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom37 6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom29" order="1"/> <bond id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-bond3" atomRefs="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom18 6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom23" order="1"/> <bond id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-bond4" atomRefs="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom10 6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom8" order="1"/> <bond id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-bond5" atomRefs="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom40 6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom45" order="1"/> <bond id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-bond6" atomRefs="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom38 6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom44" order="1"/> <bond id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-bond7" atomRefs="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom37 6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom43" order="1"/> <bond id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-bond8" atomRefs="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom35 6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom42" order="1"/> <bond id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-bond9" atomRefs="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom34 6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom41" order="1"/> <bond id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-bond10" atomRefs="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom33 6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom40" order="1"/> <bond id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-bond11" atomRefs="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom29 6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom39" order="1"/> <bond id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-bond12" atomRefs="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom28 6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom38" order="1"/> <bond id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-bond13" atomRefs="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom28 6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom37" order="1"/> <bond id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-bond14" atomRefs="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom27 6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom36" order="1"/> <bond id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-bond15" atomRefs="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom35 6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom27" order="1"/> <bond id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-bond16" atomRefs="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom26 6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom34" order="1"/> <bond id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-bond17" atomRefs="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom26 6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom33" order="1"/> <bond id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-bond18" atomRefs="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom24 6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom32" order="1"/> <bond id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-bond19" atomRefs="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom23 6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom31" order="1"/> <bond id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-bond20" atomRefs="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom22 6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom30" order="1"/> <bond id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-bond21" atomRefs="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom29 6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom22" order="1"/> <bond id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-bond22" atomRefs="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom21 6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom28" order="1"/> <bond id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-bond23" atomRefs="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom27 6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom20" order="1"/> <bond id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-bond24" atomRefs="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom20 6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom26" order="1"/> <bond id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-bond25" atomRefs="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom18 6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom25" order="1"/> <bond id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-bond26" atomRefs="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom17 6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom24" order="1"/> <bond id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-bond27" atomRefs="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom23 6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom17" order="1"/> <bond id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-bond28" atomRefs="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom22 6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom16" order="1"/> <bond id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-bond29" atomRefs="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom16 6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom21" order="1"/> <bond id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-bond30" atomRefs="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom20 6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom15" order="1"/> <bond id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-bond31" atomRefs="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom13 6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom19" order="1"/> <bond id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-bond32" atomRefs="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom13 6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom18" order="1"/> <bond id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-bond33" atomRefs="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom17 6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom12" order="1"/> <bond id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-bond34" atomRefs="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom16 6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom11" order="1"/> <bond id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-bond35" atomRefs="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom10 6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom15" order="1"/> <bond id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-bond36" atomRefs="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom8 6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom14" order="1"/> <bond id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-bond37" atomRefs="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom7 6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom13" order="1"/> <bond id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-bond38" atomRefs="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom12 6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom7" order="1"/> <bond id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-bond39" atomRefs="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom6 6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom11" order="1"/> <bond id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-bond40" atomRefs="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom5 6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom10" order="1"/> <bond id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-bond41" atomRefs="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom4 6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom9" order="1"/> <bond id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-bond42" atomRefs="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom8 6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom4" order="1"/> <bond id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-bond43" atomRefs="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom7 6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom3" order="1"/> <bond id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-bond44" atomRefs="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom2 6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom6" order="1"/> <bond id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-bond45" atomRefs="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom2 6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom5" order="1"/> <bond id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-bond46" atomRefs="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom4 6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom1" order="1"/> <bond id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-bond47" atomRefs="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom1 6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom3" order="1"/> <bond id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-bond48" atomRefs="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom1 6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom2" order="1"/> <formula concise="C 24 H 42 O 21" formalCharge="0"/> 666.583 C(OC1(C(O)C(O)C(O)C(O1)CO))C3(OC(OC2(C(CO)OC(O)C(O)C(O)2))C(O)C(O)C3OC4(C(O)C(O)C(O)C(O4)CO))
<cml> <molecule id="CPD-451" title="mono-beta-D-galactosyldiacylglycerol" dictRef="dictCPD-451"> <atomArray> <atom id="CPD-451-atom1" elementType="O" x2="9.5541" y2="-10.4947"/> <atom id="CPD-451-atom2" elementType="O" x2="4.7059" y2="-9.0904"/> <atom id="CPD-451-atom3" elementType="O" x2="0.0" y2="-3.2954"/> <atom id="CPD-451-atom4" elementType="O" x2="3.4854" y2="0.0"/> <atom id="CPD-451-atom5" elementType="O" x2="1.0727" y2="-1.3971"/> <atom id="CPD-451-atom6" elementType="O" x2="5.9213" y2="-1.3973"/> <atom id="CPD-451-atom7" elementType="R" x2="10.7687" y2="-8.3903"/> <atom id="CPD-451-atom8" elementType="R" x2="7.1356" y2="-9.0902"/> <atom id="CPD-451-atom9" elementType="C" x2="1.0727" y2="-4.1989"/> <atom id="CPD-451-atom10" elementType="C" x2="8.3461" y2="-6.9941"/> <atom id="CPD-451-atom11" elementType="C" x2="7.1336" y2="-4.8939"/> <atom id="CPD-451-atom12" elementType="O" x2="8.3461" y2="-8.3943"/> <atom id="CPD-451-atom13" elementType="O" x2="5.9211" y2="-4.1939"/> <atom id="CPD-451-atom14" elementType="O" x2="5.9211" y2="-6.9941"/> <atom id="CPD-451-atom15" elementType="O" x2="3.4852" y2="-4.1991"/> <atom id="CPD-451-atom16" elementType="C" x2="9.5586" y2="-9.0943"/> <atom id="CPD-451-atom17" elementType="C" x2="5.9211" y2="-8.3943"/> <atom id="CPD-451-atom18" elementType="C" x2="7.1336" y2="-6.2941"/> <atom id="CPD-451-atom19" elementType="C" x2="3.4852" y2="-1.3971"/> <atom id="CPD-451-atom20" elementType="C" x2="2.2714" y2="-2.0955"/> <atom id="CPD-451-atom21" elementType="C" x2="4.7072" y2="-2.0957"/> <atom id="CPD-451-atom22" elementType="C" x2="2.2714" y2="-3.5003"/> <atom id="CPD-451-atom23" elementType="C" x2="4.7072" y2="-3.5005"/> </atomArray> <bondArray> <bond id="CPD-451-bond1" atomRefs="CPD-451-atom21 CPD-451-atom23" order="1"/> <bond id="CPD-451-bond2" atomRefs="CPD-451-atom20 CPD-451-atom22" order="1"/> <bond id="CPD-451-bond3" atomRefs="CPD-451-atom19 CPD-451-atom21" order="1"/> <bond id="CPD-451-bond4" atomRefs="CPD-451-atom19 CPD-451-atom20" order="1"/> <bond id="CPD-451-bond5" atomRefs="CPD-451-atom15 CPD-451-atom23" order="1"/> <bond id="CPD-451-bond6" atomRefs="CPD-451-atom15 CPD-451-atom22" order="1"/> <bond id="CPD-451-bond7" atomRefs="CPD-451-atom14 CPD-451-atom18" order="1"/> <bond id="CPD-451-bond8" atomRefs="CPD-451-atom14 CPD-451-atom17" order="1"/> <bond id="CPD-451-bond9" atomRefs="CPD-451-atom23 CPD-451-atom13" order="1"/> <bond id="CPD-451-bond10" atomRefs="CPD-451-atom12 CPD-451-atom16" order="1"/> <bond id="CPD-451-bond11" atomRefs="CPD-451-atom11 CPD-451-atom18" order="1"/> <bond id="CPD-451-bond12" atomRefs="CPD-451-atom11 CPD-451-atom13" order="1"/> <bond id="CPD-451-bond13" atomRefs="CPD-451-atom10 CPD-451-atom18" order="1"/> <bond id="CPD-451-bond14" atomRefs="CPD-451-atom10 CPD-451-atom12" order="1"/> <bond id="CPD-451-bond15" atomRefs="CPD-451-atom22 CPD-451-atom9" order="1"/> <bond id="CPD-451-bond16" atomRefs="CPD-451-atom8 CPD-451-atom17" order="1"/> <bond id="CPD-451-bond17" atomRefs="CPD-451-atom7 CPD-451-atom16" order="1"/> <bond id="CPD-451-bond18" atomRefs="CPD-451-atom21 CPD-451-atom6" order="1"/> <bond id="CPD-451-bond19" atomRefs="CPD-451-atom20 CPD-451-atom5" order="1"/> <bond id="CPD-451-bond20" atomRefs="CPD-451-atom19 CPD-451-atom4" order="1"/> <bond id="CPD-451-bond21" atomRefs="CPD-451-atom3 CPD-451-atom9" order="1"/> <bond id="CPD-451-bond22" atomRefs="CPD-451-atom2 CPD-451-atom17" order="2"/> <bond id="CPD-451-bond23" atomRefs="CPD-451-atom1 CPD-451-atom16" order="2"/> </bondArray> <formula concise="C 11 H 16 O 10 R 2" formalCharge="0"/> </molecule> </cml>
<atom id="UDP-GLACTOSE-atom1" elementType="H" x2="13.7704" y2="-7.4216"/> <atom id="UDP-GLACTOSE-atom2" elementType="O" x2="16.1578" y2="-8.7636"/> <atom id="UDP-GLACTOSE-atom3" elementType="O" x2="13.7873" y2="-4.6471"/> <atom id="UDP-GLACTOSE-atom4" elementType="O" x2="9.8993" y2="-2.8086"/> <atom id="UDP-GLACTOSE-atom5" elementType="O" x2="7.1652" y2="-2.8086"/> <atom id="UDP-GLACTOSE-atom6" elementType="O" x2="0.0" y2="-3.2989"/> <atom id="UDP-GLACTOSE-atom7" elementType="O" x2="3.4081" y2="-0.077"/> <atom id="UDP-GLACTOSE-atom8" elementType="O" x2="1.049" y2="-1.4429"/> <atom id="UDP-GLACTOSE-atom9" elementType="O" x2="12.5116" y2="0.0"/> <atom id="UDP-GLACTOSE-atom10" elementType="O" x2="5.7898" y2="-1.4431"/> <atom id="UDP-GLACTOSE-atom11" elementType="O" x2="15.4905" y2="-0.0053"/> <atom id="UDP-GLACTOSE-atom12" elementType="O" x2="9.905" y2="-5.5466"/> <atom id="UDP-GLACTOSE-atom13" elementType="O" x2="7.1652" y2="-5.5466"/> <atom id="UDP-GLACTOSE-atom14" elementType="C" x2="17.3624" y2="-6.7101"/> <atom id="UDP-GLACTOSE-atom15" elementType="C" x2="17.3624" y2="-5.326"/> <atom id="UDP-GLACTOSE-atom16" elementType="C" x2="1.049" y2="-4.1824"/> <atom id="UDP-GLACTOSE-atom17" elementType="C" x2="11.5662" y2="-2.8364"/> <atom id="UDP-GLACTOSE-atom18" elementType="O" x2="11.2743" y2="-4.174"/> <atom id="UDP-GLACTOSE-atom19" elementType="O" x2="3.4079" y2="-4.1826"/> <atom id="UDP-GLACTOSE-atom20" elementType="O" x2="13.9621" y2="-3.2111"/> <atom id="UDP-GLACTOSE-atom21" elementType="O" x2="5.7898" y2="-4.1826"/> <atom id="UDP-GLACTOSE-atom22" elementType="O" x2="8.5342" y2="-4.1776"/> <atom id="UDP-GLACTOSE-atom23" elementType="C" x2="16.1617" y2="-7.3946"/> <atom id="UDP-GLACTOSE-atom24" elementType="C" x2="14.9761" y2="-5.326"/> <atom id="UDP-GLACTOSE-atom25" elementType="C" x2="3.4079" y2="-1.4429"/> <atom id="UDP-GLACTOSE-atom26" elementType="C" x2="2.2209" y2="-2.126"/> <atom id="UDP-GLACTOSE-atom27" elementType="C" x2="13.3127" y2="-1.1138"/> <atom id="UDP-GLACTOSE-atom28" elementType="C" x2="4.6026" y2="-2.1261"/> <atom id="UDP-GLACTOSE-atom29" elementType="C" x2="14.6795" y2="-1.1138"/> <atom id="UDP-GLACTOSE-atom30" elementType="C" x2="2.2209" y2="-3.4995"/> <atom id="UDP-GLACTOSE-atom31" elementType="C" x2="12.8706" y2="-2.4204"/> <atom id="UDP-GLACTOSE-atom32" elementType="C" x2="4.6026" y2="-3.4997"/> <atom id="UDP-GLACTOSE-atom33" elementType="C" x2="15.0864" y2="-2.3925"/> <atom id="UDP-GLACTOSE-atom34" elementType="N" x2="14.9761" y2="-6.7101"/> <atom id="UDP-GLACTOSE-atom35" elementType="N" x2="16.1564" y2="-4.619"/> <atom id="UDP-GLACTOSE-atom36" elementType="P" x2="9.9032" y2="-4.1776"/> <atom id="UDP-GLACTOSE-atom37" elementType="P" x2="7.1652" y2="-4.1776"/> <bond id="UDP-GLACTOSE-bond1" atomRefs="UDP-GLACTOSE-atom33 UDP-GLACTOSE-atom35" order="1"/> <bond id="UDP-GLACTOSE-bond2" atomRefs="UDP-GLACTOSE-atom29 UDP-GLACTOSE-atom33" order="1"/> <bond id="UDP-GLACTOSE-bond3" atomRefs="UDP-GLACTOSE-atom28 UDP-GLACTOSE-atom32" order="1"/> <bond id="UDP-GLACTOSE-bond4" atomRefs="UDP-GLACTOSE-atom27 UDP-GLACTOSE-atom31" order="1"/> <bond id="UDP-GLACTOSE-bond5" atomRefs="UDP-GLACTOSE-atom27 UDP-GLACTOSE-atom29" order="1"/> <bond id="UDP-GLACTOSE-bond6" atomRefs="UDP-GLACTOSE-atom26 UDP-GLACTOSE-atom30" order="1"/> <bond id="UDP-GLACTOSE-bond7" atomRefs="UDP-GLACTOSE-atom25 UDP-GLACTOSE-atom28" order="1"/> <bond id="UDP-GLACTOSE-bond8" atomRefs="UDP-GLACTOSE-atom25 UDP-GLACTOSE-atom26" order="1"/> <bond id="UDP-GLACTOSE-bond9" atomRefs="UDP-GLACTOSE-atom24 UDP-GLACTOSE-atom35" order="A"/> <bond id="UDP-GLACTOSE-bond10" atomRefs="UDP-GLACTOSE-atom34 UDP-GLACTOSE-atom24" order="A"/> <bond id="UDP-GLACTOSE-bond11" atomRefs="UDP-GLACTOSE-atom23 UDP-GLACTOSE-atom34" order="A"/> <bond id="UDP-GLACTOSE-bond12" atomRefs="UDP-GLACTOSE-atom22 UDP-GLACTOSE-atom37" order="1"/> <bond id="UDP-GLACTOSE-bond13" atomRefs="UDP-GLACTOSE-atom22 UDP-GLACTOSE-atom36" order="1"/> <bond id="UDP-GLACTOSE-bond14" atomRefs="UDP-GLACTOSE-atom21 UDP-GLACTOSE-atom37" order="1"/> <bond id="UDP-GLACTOSE-bond15" atomRefs="UDP-GLACTOSE-atom32 UDP-GLACTOSE-atom21" order="1"/> <bond id="UDP-GLACTOSE-bond16" atomRefs="UDP-GLACTOSE-atom20 UDP-GLACTOSE-atom33" order="1"/> <bond id="UDP-GLACTOSE-bond17" atomRefs="UDP-GLACTOSE-atom20 UDP-GLACTOSE-atom31" order="1"/> <bond id="UDP-GLACTOSE-bond18" atomRefs="UDP-GLACTOSE-atom19 UDP-GLACTOSE-atom32" order="1"/> <bond id="UDP-GLACTOSE-bond19" atomRefs="UDP-GLACTOSE-atom19 UDP-GLACTOSE-atom30" order="1"/> <bond id="UDP-GLACTOSE-bond20" atomRefs="UDP-GLACTOSE-atom18 UDP-GLACTOSE-atom36" order="1"/> <bond id="UDP-GLACTOSE-bond21" atomRefs="UDP-GLACTOSE-atom31 UDP-GLACTOSE-atom17" order="1"/> <bond id="UDP-GLACTOSE-bond22" atomRefs="UDP-GLACTOSE-atom17 UDP-GLACTOSE-atom18" order="1"/> <bond id="UDP-GLACTOSE-bond23" atomRefs="UDP-GLACTOSE-atom30 UDP-GLACTOSE-atom16" order="1"/> <bond id="UDP-GLACTOSE-bond24" atomRefs="UDP-GLACTOSE-atom35 UDP-GLACTOSE-atom15" order="A"/> <bond id="UDP-GLACTOSE-bond25" atomRefs="UDP-GLACTOSE-atom14 UDP-GLACTOSE-atom23" order="A"/> <bond id="UDP-GLACTOSE-bond26" atomRefs="UDP-GLACTOSE-atom15 UDP-GLACTOSE-atom14" order="A"/> <bond id="UDP-GLACTOSE-bond27" atomRefs="UDP-GLACTOSE-atom13 UDP-GLACTOSE-atom37" order="1"/> <bond id="UDP-GLACTOSE-bond28" atomRefs="UDP-GLACTOSE-atom12 UDP-GLACTOSE-atom36" order="1"/> <bond id="UDP-GLACTOSE-bond29" atomRefs="UDP-GLACTOSE-atom29 UDP-GLACTOSE-atom11" order="1"/> <bond id="UDP-GLACTOSE-bond30" atomRefs="UDP-GLACTOSE-atom28 UDP-GLACTOSE-atom10" order="1"/> <bond id="UDP-GLACTOSE-bond31" atomRefs="UDP-GLACTOSE-atom27 UDP-GLACTOSE-atom9" order="1"/> <bond id="UDP-GLACTOSE-bond32" atomRefs="UDP-GLACTOSE-atom26 UDP-GLACTOSE-atom8" order="1"/> <bond id="UDP-GLACTOSE-bond33" atomRefs="UDP-GLACTOSE-atom25 UDP-GLACTOSE-atom7" order="1"/> <bond id="UDP-GLACTOSE-bond34" atomRefs="UDP-GLACTOSE-atom6 UDP-GLACTOSE-atom16" order="1"/> <bond id="UDP-GLACTOSE-bond35" atomRefs="UDP-GLACTOSE-atom5 UDP-GLACTOSE-atom37" order="2"/> <bond id="UDP-GLACTOSE-bond36" atomRefs="UDP-GLACTOSE-atom4 UDP-GLACTOSE-atom36" order="2"/> <bond id="UDP-GLACTOSE-bond37" atomRefs="UDP-GLACTOSE-atom3 UDP-GLACTOSE-atom24" order="2"/> <bond id="UDP-GLACTOSE-bond38" atomRefs="UDP-GLACTOSE-atom2 UDP-GLACTOSE-atom23" order="2"/> <bond id="UDP-GLACTOSE-bond39" atomRefs="UDP-GLACTOSE-atom1 UDP-GLACTOSE-atom34" order="1"/> <formula concise="C 15 H 24 N 2 O 17 P 2" formalCharge="0"/> 566.305 c1(n(c(=O)[nH]c(c1)=O)C2(OC(C(O)C2O)COP(=O)(O)OP(=O)(O)OC3(C(O)C(O)C(O)C(O3)CO)))
UDP-galactose:MGDG galactosyltransferase
<atom id="ADP-D-GLUCOSE-atom1" elementType="O" x2="5.2046" y2="-0.831"/> <atom id="ADP-D-GLUCOSE-atom2" elementType="O" x2="3.7713" y2="0.0"/> <atom id="ADP-D-GLUCOSE-atom3" elementType="O" x2="2.3506" y2="-0.8329"/> <atom id="ADP-D-GLUCOSE-atom4" elementType="O" x2="3.7736" y2="-2.4795"/> <atom id="ADP-D-GLUCOSE-atom5" elementType="C" x2="4.4932" y2="-2.0693"/> <atom id="ADP-D-GLUCOSE-atom6" elementType="C" x2="4.4932" y2="-1.2398"/> <atom id="ADP-D-GLUCOSE-atom7" elementType="C" x2="3.7736" y2="-0.8205"/> <atom id="ADP-D-GLUCOSE-atom8" elementType="C" x2="3.0631" y2="-1.2398"/> <atom id="ADP-D-GLUCOSE-atom9" elementType="C" x2="3.0631" y2="-2.0693"/> <atom id="ADP-D-GLUCOSE-atom10" elementType="C" x2="2.3525" y2="-2.4795"/> <atom id="ADP-D-GLUCOSE-atom11" elementType="O" x2="1.638" y2="-2.067"/> <atom id="ADP-D-GLUCOSE-atom12" elementType="O" x2="5.2026" y2="-2.4815"/> <atom id="ADP-D-GLUCOSE-atom13" elementType="P" x2="7.6776" y2="-2.4815"/> <atom id="ADP-D-GLUCOSE-atom14" elementType="P" x2="6.0276" y2="-2.4815"/> <atom id="ADP-D-GLUCOSE-atom15" elementType="O" x2="6.0276" y2="-3.3065"/> <atom id="ADP-D-GLUCOSE-atom16" elementType="O" x2="7.6776" y2="-3.3065"/> <atom id="ADP-D-GLUCOSE-atom17" elementType="O" x2="7.6776" y2="-1.6565"/> <atom id="ADP-D-GLUCOSE-atom18" elementType="O" x2="6.0276" y2="-1.6565"/> <atom id="ADP-D-GLUCOSE-atom19" elementType="O" x2="6.8526" y2="-2.4815"/> <atom id="ADP-D-GLUCOSE-atom20" elementType="O" x2="8.5026" y2="-2.4815"/> <atom id="ADP-D-GLUCOSE-atom21" elementType="C" x2="9.9316" y2="-2.4815"/> <atom id="ADP-D-GLUCOSE-atom22" elementType="C" x2="9.2171" y2="-2.894"/> <atom id="ADP-D-GLUCOSE-atom23" elementType="O" x2="10.599" y2="-2.9665"/> <atom id="ADP-D-GLUCOSE-atom24" elementType="C" x2="10.1865" y2="-1.6969"/> <atom id="ADP-D-GLUCOSE-atom25" elementType="C" x2="11.0115" y2="-1.6969"/> <atom id="ADP-D-GLUCOSE-atom26" elementType="O" x2="9.6031" y2="-1.1136"/> <atom id="ADP-D-GLUCOSE-atom27" elementType="O" x2="11.424" y2="-0.9825"/> <atom id="ADP-D-GLUCOSE-atom28" elementType="C" x2="11.2664" y2="-2.4815"/> <atom id="ADP-D-GLUCOSE-atom29" elementType="C" x2="12.6733" y2="-2.4455"/> <atom id="ADP-D-GLUCOSE-atom30" elementType="C" x2="13.0173" y2="-3.7353"/> <atom id="ADP-D-GLUCOSE-atom31" elementType="C" x2="12.1935" y2="-3.6911"/> <atom id="ADP-D-GLUCOSE-atom32" elementType="C" x2="12.9407" y2="-5.1622"/> <atom id="ADP-D-GLUCOSE-atom33" elementType="N" x2="11.9809" y2="-2.894"/> <atom id="ADP-D-GLUCOSE-atom34" elementType="N" x2="13.3138" y2="-2.9654"/> <atom id="ADP-D-GLUCOSE-atom35" elementType="N" x2="13.3909" y2="-4.4708"/> <atom id="ADP-D-GLUCOSE-atom36" elementType="N" x2="12.1169" y2="-5.118"/> <atom id="ADP-D-GLUCOSE-atom37" elementType="C" x2="11.7433" y2="-4.3825"/> <atom id="ADP-D-GLUCOSE-atom38" elementType="N" x2="10.9183" y2="-4.3825"/> <bond id="ADP-D-GLUCOSE-bond1" atomRefs="ADP-D-GLUCOSE-atom37 ADP-D-GLUCOSE-atom38" order="1"/> <bond id="ADP-D-GLUCOSE-bond2" atomRefs="ADP-D-GLUCOSE-atom31 ADP-D-GLUCOSE-atom30" order="A"/> <bond id="ADP-D-GLUCOSE-bond3" atomRefs="ADP-D-GLUCOSE-atom32 ADP-D-GLUCOSE-atom35" order="A"/> <bond id="ADP-D-GLUCOSE-bond4" atomRefs="ADP-D-GLUCOSE-atom31 ADP-D-GLUCOSE-atom37" order="A"/> <bond id="ADP-D-GLUCOSE-bond5" atomRefs="ADP-D-GLUCOSE-atom36 ADP-D-GLUCOSE-atom32" order="A"/> <bond id="ADP-D-GLUCOSE-bond6" atomRefs="ADP-D-GLUCOSE-atom37 ADP-D-GLUCOSE-atom36" order="A"/> <bond id="ADP-D-GLUCOSE-bond7" atomRefs="ADP-D-GLUCOSE-atom35 ADP-D-GLUCOSE-atom30" order="A"/> <bond id="ADP-D-GLUCOSE-bond8" atomRefs="ADP-D-GLUCOSE-atom34 ADP-D-GLUCOSE-atom29" order="A"/> <bond id="ADP-D-GLUCOSE-bond9" atomRefs="ADP-D-GLUCOSE-atom30 ADP-D-GLUCOSE-atom34" order="A"/> <bond id="ADP-D-GLUCOSE-bond10" atomRefs="ADP-D-GLUCOSE-atom29 ADP-D-GLUCOSE-atom33" order="A"/> <bond id="ADP-D-GLUCOSE-bond11" atomRefs="ADP-D-GLUCOSE-atom33 ADP-D-GLUCOSE-atom31" order="A"/> <bond id="ADP-D-GLUCOSE-bond12" atomRefs="ADP-D-GLUCOSE-atom28 ADP-D-GLUCOSE-atom33" order="1"/> <bond id="ADP-D-GLUCOSE-bond13" atomRefs="ADP-D-GLUCOSE-atom25 ADP-D-GLUCOSE-atom27" order="1"/> <bond id="ADP-D-GLUCOSE-bond14" atomRefs="ADP-D-GLUCOSE-atom24 ADP-D-GLUCOSE-atom26" order="1"/> <bond id="ADP-D-GLUCOSE-bond15" atomRefs="ADP-D-GLUCOSE-atom21 ADP-D-GLUCOSE-atom22" order="1"/> <bond id="ADP-D-GLUCOSE-bond16" atomRefs="ADP-D-GLUCOSE-atom25 ADP-D-GLUCOSE-atom28" order="1"/> <bond id="ADP-D-GLUCOSE-bond17" atomRefs="ADP-D-GLUCOSE-atom24 ADP-D-GLUCOSE-atom25" order="1"/> <bond id="ADP-D-GLUCOSE-bond18" atomRefs="ADP-D-GLUCOSE-atom23 ADP-D-GLUCOSE-atom28" order="1"/> <bond id="ADP-D-GLUCOSE-bond19" atomRefs="ADP-D-GLUCOSE-atom21 ADP-D-GLUCOSE-atom24" order="1"/> <bond id="ADP-D-GLUCOSE-bond20" atomRefs="ADP-D-GLUCOSE-atom23 ADP-D-GLUCOSE-atom21" order="1"/> <bond id="ADP-D-GLUCOSE-bond21" atomRefs="ADP-D-GLUCOSE-atom20 ADP-D-GLUCOSE-atom22" order="1"/> <bond id="ADP-D-GLUCOSE-bond22" atomRefs="ADP-D-GLUCOSE-atom14 ADP-D-GLUCOSE-atom18" order="1"/> <bond id="ADP-D-GLUCOSE-bond23" atomRefs="ADP-D-GLUCOSE-atom13 ADP-D-GLUCOSE-atom17" order="1"/> <bond id="ADP-D-GLUCOSE-bond24" atomRefs="ADP-D-GLUCOSE-atom13 ADP-D-GLUCOSE-atom16" order="2"/> <bond id="ADP-D-GLUCOSE-bond25" atomRefs="ADP-D-GLUCOSE-atom14 ADP-D-GLUCOSE-atom15" order="2"/> <bond id="ADP-D-GLUCOSE-bond26" atomRefs="ADP-D-GLUCOSE-atom13 ADP-D-GLUCOSE-atom20" order="1"/> <bond id="ADP-D-GLUCOSE-bond27" atomRefs="ADP-D-GLUCOSE-atom19 ADP-D-GLUCOSE-atom13" order="1"/> <bond id="ADP-D-GLUCOSE-bond28" atomRefs="ADP-D-GLUCOSE-atom14 ADP-D-GLUCOSE-atom19" order="1"/> <bond id="ADP-D-GLUCOSE-bond29" atomRefs="ADP-D-GLUCOSE-atom12 ADP-D-GLUCOSE-atom14" order="1"/> <bond id="ADP-D-GLUCOSE-bond30" atomRefs="ADP-D-GLUCOSE-atom10 ADP-D-GLUCOSE-atom11" order="1"/> <bond id="ADP-D-GLUCOSE-bond31" atomRefs="ADP-D-GLUCOSE-atom5 ADP-D-GLUCOSE-atom12" order="1"/> <bond id="ADP-D-GLUCOSE-bond32" atomRefs="ADP-D-GLUCOSE-atom6 ADP-D-GLUCOSE-atom1" order="1"/> <bond id="ADP-D-GLUCOSE-bond33" atomRefs="ADP-D-GLUCOSE-atom7 ADP-D-GLUCOSE-atom2" order="1"/> <bond id="ADP-D-GLUCOSE-bond34" atomRefs="ADP-D-GLUCOSE-atom8 ADP-D-GLUCOSE-atom3" order="1"/> <bond id="ADP-D-GLUCOSE-bond35" atomRefs="ADP-D-GLUCOSE-atom9 ADP-D-GLUCOSE-atom10" order="1"/> <bond id="ADP-D-GLUCOSE-bond36" atomRefs="ADP-D-GLUCOSE-atom4 ADP-D-GLUCOSE-atom5" order="1"/> <bond id="ADP-D-GLUCOSE-bond37" atomRefs="ADP-D-GLUCOSE-atom4 ADP-D-GLUCOSE-atom9" order="1"/> <bond id="ADP-D-GLUCOSE-bond38" atomRefs="ADP-D-GLUCOSE-atom5 ADP-D-GLUCOSE-atom6" order="1"/> <bond id="ADP-D-GLUCOSE-bond39" atomRefs="ADP-D-GLUCOSE-atom6 ADP-D-GLUCOSE-atom7" order="1"/> <bond id="ADP-D-GLUCOSE-bond40" atomRefs="ADP-D-GLUCOSE-atom7 ADP-D-GLUCOSE-atom8" order="1"/> <bond id="ADP-D-GLUCOSE-bond41" atomRefs="ADP-D-GLUCOSE-atom8 ADP-D-GLUCOSE-atom9" order="1"/> <formula concise="C 16 H 25 N 5 O 15 P 2" formalCharge="0"/> 589.345 C1(C(O)C(O)C(O)C(O1)CO)OP(=O)(O)OP(=O)(O)OCC2(OC(C(O)C(O)2)n3(cnc4(c3c(N)ncn4)))
This class includes the precursors of glycogen that are substrates for the enzyme |FRAME: CPLX-6975|. It includes poly-glycosylated glycogenin (including |FRAME: CPD-7010|, also known as the glycogen primer), but not |FRAME: GLUCOSYL-GLYCOGENIN|, which can not serve as a primer for |FRAME: CPLX-6975|.
(1,4-α-D-glucosyl)(n) glycogenin
(1,4-α-D-glucosyl)(n+1) glycogenin
(1,4-α-D-glucosyl)(n-1) glycogenin
Starch is a combination of two polymeric carbohydrates (polysaccharides) called |FRAME: CPD-7045| and |FRAME: CPD-7043|. |FRAME: CPD-7045| contains up to several thousand α-glucosyl units linked almost exclusively in linear α(1->4) linkages, with very few branches of α(1->6) linkages. In |FRAME: CPD-7043|, on the other hand, branching is common, and occurs approximately every 24-30 glucose monomer units. |FRAME: CPD-7045| accounts for 30% of starch, while |FRAME: CPD-7043| accounts for the other 70%.
alpha,alpha-trehalose-phosphate synthase (UDP-forming)
Trehalosephosphate-UDP glucosyltransferase
UDP-glucose-glucosephosphate glucosyltransferase
<atom id="PPI-atom1" elementType="O" x2="-0.00671" y2="-0.51342"/> <atom id="PPI-atom2" elementType="O" x2="0.51007" y2="-0.02685"/> <atom id="PPI-atom3" elementType="O" x2="0.51007" y2="-1.0"/> <atom id="PPI-atom4" elementType="P" x2="0.51007" y2="-0.51342"/> <atom id="PPI-atom5" elementType="O" x2="-1.0" y2="-0.51342"/> <atom id="PPI-atom6" elementType="O" x2="-0.51342" y2="-1.0"/> <atom id="PPI-atom7" elementType="O" x2="0.99664" y2="-0.51342"/> <atom id="PPI-atom8" elementType="P" x2="-0.51342" y2="-0.51342"/> <atom id="PPI-atom9" elementType="O" x2="-0.51342" y2="-0.02685"/> <bond id="PPI-bond1" atomRefs="PPI-atom9 PPI-atom8" order="2"/> <bond id="PPI-bond2" atomRefs="PPI-atom7 PPI-atom4" order="1"/> <bond id="PPI-bond3" atomRefs="PPI-atom6 PPI-atom8" order="1"/> <bond id="PPI-bond4" atomRefs="PPI-atom5 PPI-atom8" order="1"/> <bond id="PPI-bond5" atomRefs="PPI-atom4 PPI-atom1" order="1"/> <bond id="PPI-bond6" atomRefs="PPI-atom3 PPI-atom4" order="1"/> <bond id="PPI-bond7" atomRefs="PPI-atom2 PPI-atom4" order="2"/> <bond id="PPI-bond8" atomRefs="PPI-atom1 PPI-atom8" order="1"/> <formula concise="H 4 O 7 P 2" formalCharge="0"/> 177.975 O(P(O)(O)=O)P(O)(=O)O
<atom id="PRPP-atom1" elementType="O" x2="1.4085" y2="-3.2839"/> <atom id="PRPP-atom2" elementType="O" x2="12.9058" y2="-1.4776"/> <atom id="PRPP-atom3" elementType="O" x2="10.1058" y2="-1.4858"/> <atom id="PRPP-atom4" elementType="O" x2="4.7189" y2="0.0"/> <atom id="PRPP-atom5" elementType="O" x2="7.7647" y2="0.0"/> <atom id="PRPP-atom6" elementType="O" x2="1.4112" y2="-0.484"/> <atom id="PRPP-atom7" elementType="O" x2="0.0" y2="-1.8798"/> <atom id="PRPP-atom8" elementType="O" x2="14.3055" y2="-2.9057"/> <atom id="PRPP-atom9" elementType="O" x2="12.9228" y2="-4.2775"/> <atom id="PRPP-atom10" elementType="O" x2="10.1058" y2="-4.2858"/> <atom id="PRPP-atom11" elementType="C" x2="3.7776" y2="-2.8967"/> <atom id="PRPP-atom12" elementType="O" x2="2.8" y2="-1.8947"/> <atom id="PRPP-atom13" elementType="O" x2="6.2418" y2="-3.287"/> <atom id="PRPP-atom14" elementType="O" x2="8.7059" y2="-2.8967"/> <atom id="PRPP-atom15" elementType="O" x2="11.5058" y2="-2.8748"/> <atom id="PRPP-atom16" elementType="C" x2="5.5418" y2="-1.1326"/> <atom id="PRPP-atom17" elementType="C" x2="6.9418" y2="-1.1326"/> <atom id="PRPP-atom18" elementType="C" x2="5.1091" y2="-2.4641"/> <atom id="PRPP-atom19" elementType="C" x2="7.3744" y2="-2.4641"/> <atom id="PRPP-atom20" elementType="P" x2="1.4" y2="-1.8839"/> <atom id="PRPP-atom21" elementType="P" x2="12.9058" y2="-2.8776"/> <atom id="PRPP-atom22" elementType="P" x2="10.1058" y2="-2.8858"/> <bond id="PRPP-bond1" atomRefs="PRPP-atom17 PRPP-atom19" order="1"/> <bond id="PRPP-bond2" atomRefs="PRPP-atom16 PRPP-atom18" order="1"/> <bond id="PRPP-bond3" atomRefs="PRPP-atom16 PRPP-atom17" order="1"/> <bond id="PRPP-bond4" atomRefs="PRPP-atom15 PRPP-atom22" order="1"/> <bond id="PRPP-bond5" atomRefs="PRPP-atom15 PRPP-atom21" order="1"/> <bond id="PRPP-bond6" atomRefs="PRPP-atom14 PRPP-atom22" order="1"/> <bond id="PRPP-bond7" atomRefs="PRPP-atom19 PRPP-atom14" order="1"/> <bond id="PRPP-bond8" atomRefs="PRPP-atom13 PRPP-atom19" order="1"/> <bond id="PRPP-bond9" atomRefs="PRPP-atom13 PRPP-atom18" order="1"/> <bond id="PRPP-bond10" atomRefs="PRPP-atom12 PRPP-atom20" order="1"/> <bond id="PRPP-bond11" atomRefs="PRPP-atom18 PRPP-atom11" order="1"/> <bond id="PRPP-bond12" atomRefs="PRPP-atom11 PRPP-atom12" order="1"/> <bond id="PRPP-bond13" atomRefs="PRPP-atom10 PRPP-atom22" order="1"/> <bond id="PRPP-bond14" atomRefs="PRPP-atom9 PRPP-atom21" order="1"/> <bond id="PRPP-bond15" atomRefs="PRPP-atom8 PRPP-atom21" order="1"/> <bond id="PRPP-bond16" atomRefs="PRPP-atom7 PRPP-atom20" order="1"/> <bond id="PRPP-bond17" atomRefs="PRPP-atom6 PRPP-atom20" order="1"/> <bond id="PRPP-bond18" atomRefs="PRPP-atom17 PRPP-atom5" order="1"/> <bond id="PRPP-bond19" atomRefs="PRPP-atom16 PRPP-atom4" order="1"/> <bond id="PRPP-bond20" atomRefs="PRPP-atom3 PRPP-atom22" order="2"/> <bond id="PRPP-bond21" atomRefs="PRPP-atom2 PRPP-atom21" order="2"/> <bond id="PRPP-bond22" atomRefs="PRPP-atom1 PRPP-atom20" order="2"/> <formula concise="C 5 H 13 O 14 P 3" formalCharge="0"/> 390.071 C(OP(O)(O)=O)C1(OC(C(O)C1O)OP(=O)(O)OP(O)(O)=O)
5-phospho-α-D-ribose 1-diphosphate
<atom id="ADENINE-atom1" elementType="C" x2="-1.0869" y2="-2.7101"/> <atom id="ADENINE-atom2" elementType="C" x2="-1.8346" y2="-1.4924"/> <atom id="ADENINE-atom3" elementType="C" x2="-0.4063" y2="-1.4538"/> <atom id="ADENINE-atom4" elementType="C" x2="-0.3838" y2="-2.2784"/> <atom id="ADENINE-atom5" elementType="C" x2="0.8739" y2="-1.8315"/> <atom id="ADENINE-atom6" elementType="N" x2="0.3711" y2="-1.1776"/> <atom id="ADENINE-atom7" elementType="N" x2="0.4074" y2="-2.5119"/> <atom id="ADENINE-atom8" elementType="N" x2="-1.1317" y2="-1.0608"/> <atom id="ADENINE-atom9" elementType="N" x2="-1.8124" y2="-2.3172"/> <atom id="ADENINE-atom10" elementType="N" x2="-1.0645" y2="-3.5349"/> <bond id="ADENINE-bond1" atomRefs="ADENINE-atom1 ADENINE-atom10" order="1"/> <bond id="ADENINE-bond2" atomRefs="ADENINE-atom6 ADENINE-atom5" order="1"/> <bond id="ADENINE-bond3" atomRefs="ADENINE-atom7 ADENINE-atom5" order="2"/> <bond id="ADENINE-bond4" atomRefs="ADENINE-atom7 ADENINE-atom4" order="1"/> <bond id="ADENINE-bond5" atomRefs="ADENINE-atom3 ADENINE-atom4" order="A"/> <bond id="ADENINE-bond6" atomRefs="ADENINE-atom3 ADENINE-atom6" order="1"/> <bond id="ADENINE-bond7" atomRefs="ADENINE-atom8 ADENINE-atom3" order="A"/> <bond id="ADENINE-bond8" atomRefs="ADENINE-atom2 ADENINE-atom8" order="A"/> <bond id="ADENINE-bond9" atomRefs="ADENINE-atom9 ADENINE-atom2" order="A"/> <bond id="ADENINE-bond10" atomRefs="ADENINE-atom1 ADENINE-atom9" order="A"/> <bond id="ADENINE-bond11" atomRefs="ADENINE-atom4 ADENINE-atom1" order="A"/> <formula concise="C 5 H 5 N 5" formalCharge="0"/> 135.128 c1(ncnc2(c1N=CN2))(N)
<atom id="5-P-BETA-D-RIBOSYL-AMINE-atom1" elementType="H" x2="0.99714285" y2="-0.6628571"/> <atom id="5-P-BETA-D-RIBOSYL-AMINE-atom2" elementType="C" x2="0.10285714" y2="-0.24"/> <atom id="5-P-BETA-D-RIBOSYL-AMINE-atom3" elementType="O" x2="-1.0" y2="-0.24"/> <atom id="5-P-BETA-D-RIBOSYL-AMINE-atom4" elementType="H" x2="0.10285714" y2="-0.6628571"/> <atom id="5-P-BETA-D-RIBOSYL-AMINE-atom5" elementType="O" x2="-0.30285713" y2="-0.24"/> <atom id="5-P-BETA-D-RIBOSYL-AMINE-atom6" elementType="N" x2="0.99714285" y2="-0.24285714"/> <atom id="5-P-BETA-D-RIBOSYL-AMINE-atom7" elementType="O" x2="0.8257143" y2="-1.0"/> <atom id="5-P-BETA-D-RIBOSYL-AMINE-atom8" elementType="H" x2="0.26857144" y2="-0.61714286"/> <atom id="5-P-BETA-D-RIBOSYL-AMINE-atom9" elementType="C" x2="0.99714285" y2="-0.46857142"/> <atom id="5-P-BETA-D-RIBOSYL-AMINE-atom10" elementType="P" x2="-0.68285716" y2="-0.24"/> <atom id="5-P-BETA-D-RIBOSYL-AMINE-atom11" elementType="O" x2="0.26857144" y2="-1.0"/> <atom id="5-P-BETA-D-RIBOSYL-AMINE-atom12" elementType="O" x2="0.5485714" y2="-0.21714285"/> <atom id="5-P-BETA-D-RIBOSYL-AMINE-atom13" elementType="O" x2="-0.68285716" y2="-0.56"/> <atom id="5-P-BETA-D-RIBOSYL-AMINE-atom14" elementType="O" x2="-0.68285716" y2="0.07714286"/> <atom id="5-P-BETA-D-RIBOSYL-AMINE-atom15" elementType="C" x2="0.8257143" y2="-0.80857146"/> <atom id="5-P-BETA-D-RIBOSYL-AMINE-atom16" elementType="H" x2="0.8257143" y2="-0.61714286"/> <atom id="5-P-BETA-D-RIBOSYL-AMINE-atom17" elementType="C" x2="0.26857144" y2="-0.80857146"/> <atom id="5-P-BETA-D-RIBOSYL-AMINE-atom18" elementType="C" x2="0.10285714" y2="-0.46857142"/> <bond id="5-P-BETA-D-RIBOSYL-AMINE-bond1" atomRefs="5-P-BETA-D-RIBOSYL-AMINE-atom18 5-P-BETA-D-RIBOSYL-AMINE-atom17" order="1"/> <bond id="5-P-BETA-D-RIBOSYL-AMINE-bond2" atomRefs="5-P-BETA-D-RIBOSYL-AMINE-atom18 5-P-BETA-D-RIBOSYL-AMINE-atom12" order="1"/> <bond id="5-P-BETA-D-RIBOSYL-AMINE-bond3" atomRefs="5-P-BETA-D-RIBOSYL-AMINE-atom17 5-P-BETA-D-RIBOSYL-AMINE-atom15" order="1"/> <bond id="5-P-BETA-D-RIBOSYL-AMINE-bond4" atomRefs="5-P-BETA-D-RIBOSYL-AMINE-atom16 5-P-BETA-D-RIBOSYL-AMINE-atom15" order="1"/> <bond id="5-P-BETA-D-RIBOSYL-AMINE-bond5" atomRefs="5-P-BETA-D-RIBOSYL-AMINE-atom14 5-P-BETA-D-RIBOSYL-AMINE-atom10" order="2"/> <bond id="5-P-BETA-D-RIBOSYL-AMINE-bond6" atomRefs="5-P-BETA-D-RIBOSYL-AMINE-atom13 5-P-BETA-D-RIBOSYL-AMINE-atom10" order="1"/> <bond id="5-P-BETA-D-RIBOSYL-AMINE-bond7" atomRefs="5-P-BETA-D-RIBOSYL-AMINE-atom12 5-P-BETA-D-RIBOSYL-AMINE-atom9" order="1"/> <bond id="5-P-BETA-D-RIBOSYL-AMINE-bond8" atomRefs="5-P-BETA-D-RIBOSYL-AMINE-atom11 5-P-BETA-D-RIBOSYL-AMINE-atom17" order="1"/> <bond id="5-P-BETA-D-RIBOSYL-AMINE-bond9" atomRefs="5-P-BETA-D-RIBOSYL-AMINE-atom10 5-P-BETA-D-RIBOSYL-AMINE-atom5" order="1"/> <bond id="5-P-BETA-D-RIBOSYL-AMINE-bond10" atomRefs="5-P-BETA-D-RIBOSYL-AMINE-atom9 5-P-BETA-D-RIBOSYL-AMINE-atom15" order="1"/> <bond id="5-P-BETA-D-RIBOSYL-AMINE-bond11" atomRefs="5-P-BETA-D-RIBOSYL-AMINE-atom8 5-P-BETA-D-RIBOSYL-AMINE-atom17" order="1"/> <bond id="5-P-BETA-D-RIBOSYL-AMINE-bond12" atomRefs="5-P-BETA-D-RIBOSYL-AMINE-atom7 5-P-BETA-D-RIBOSYL-AMINE-atom15" order="1"/> <bond id="5-P-BETA-D-RIBOSYL-AMINE-bond13" atomRefs="5-P-BETA-D-RIBOSYL-AMINE-atom6 5-P-BETA-D-RIBOSYL-AMINE-atom9" order="1"/> <bond id="5-P-BETA-D-RIBOSYL-AMINE-bond14" atomRefs="5-P-BETA-D-RIBOSYL-AMINE-atom5 5-P-BETA-D-RIBOSYL-AMINE-atom2" order="1"/> <bond id="5-P-BETA-D-RIBOSYL-AMINE-bond15" atomRefs="5-P-BETA-D-RIBOSYL-AMINE-atom4 5-P-BETA-D-RIBOSYL-AMINE-atom18" order="1"/> <bond id="5-P-BETA-D-RIBOSYL-AMINE-bond16" atomRefs="5-P-BETA-D-RIBOSYL-AMINE-atom3 5-P-BETA-D-RIBOSYL-AMINE-atom10" order="1"/> <bond id="5-P-BETA-D-RIBOSYL-AMINE-bond17" atomRefs="5-P-BETA-D-RIBOSYL-AMINE-atom2 5-P-BETA-D-RIBOSYL-AMINE-atom18" order="1"/> <bond id="5-P-BETA-D-RIBOSYL-AMINE-bond18" atomRefs="5-P-BETA-D-RIBOSYL-AMINE-atom1 5-P-BETA-D-RIBOSYL-AMINE-atom9" order="1"/> <formula concise="C 5 H 12 N 1 O 7 P 1" formalCharge="0"/> 229.126 C(OP(O)(=O)O)[CH]1([CH](O)[CH](O)[CH](O1)N)
Phosphoribosyldiphosphate 5-amidotransferase
Glutamine phosphoribosylpyrophosphate amidotransferase
<atom id="ANTHRANILATE-atom1" elementType="C" x2="-0.49254" y2="-1.0"/> <atom id="ANTHRANILATE-atom2" elementType="C" x2="-1.0" y2="-0.13765"/> <atom id="ANTHRANILATE-atom3" elementType="C" x2="0.00166" y2="-0.14428"/> <atom id="ANTHRANILATE-atom4" elementType="N" x2="0.49917" y2="-0.99668"/> <atom id="ANTHRANILATE-atom5" elementType="O" x2="0.49917" y2="0.73134"/> <atom id="ANTHRANILATE-atom6" elementType="C" x2="0.49917" y2="0.15423"/> <atom id="ANTHRANILATE-atom7" elementType="C" x2="-1.0" y2="-0.71476"/> <atom id="ANTHRANILATE-atom8" elementType="C" x2="-0.49585" y2="0.15091"/> <atom id="ANTHRANILATE-atom9" elementType="C" x2="0.00166" y2="-0.70813"/> <atom id="ANTHRANILATE-atom10" elementType="O" x2="0.99668" y2="-0.13433"/> <bond id="ANTHRANILATE-bond1" atomRefs="ANTHRANILATE-atom10 ANTHRANILATE-atom6" order="1"/> <bond id="ANTHRANILATE-bond2" atomRefs="ANTHRANILATE-atom9 ANTHRANILATE-atom3" order="A"/> <bond id="ANTHRANILATE-bond3" atomRefs="ANTHRANILATE-atom3 ANTHRANILATE-atom8" order="A"/> <bond id="ANTHRANILATE-bond4" atomRefs="ANTHRANILATE-atom7 ANTHRANILATE-atom1" order="A"/> <bond id="ANTHRANILATE-bond5" atomRefs="ANTHRANILATE-atom2 ANTHRANILATE-atom7" order="A"/> <bond id="ANTHRANILATE-bond6" atomRefs="ANTHRANILATE-atom6 ANTHRANILATE-atom3" order="1"/> <bond id="ANTHRANILATE-bond7" atomRefs="ANTHRANILATE-atom5 ANTHRANILATE-atom6" order="2"/> <bond id="ANTHRANILATE-bond8" atomRefs="ANTHRANILATE-atom4 ANTHRANILATE-atom9" order="1"/> <bond id="ANTHRANILATE-bond9" atomRefs="ANTHRANILATE-atom8 ANTHRANILATE-atom2" order="A"/> <bond id="ANTHRANILATE-bond10" atomRefs="ANTHRANILATE-atom1 ANTHRANILATE-atom9" order="A"/> <formula concise="C 7 H 7 N 1 O 2" formalCharge="0"/> 137.138 C(=O)(O)c1(c(N)cccc1)
<atom id="N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-atom1" elementType="C" x2="0.22602" y2="0.06016"/> <atom id="N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-atom2" elementType="H" x2="0.62602" y2="-0.73008"/> <atom id="N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-atom3" elementType="N" x2="0.62602" y2="-0.14146"/> <atom id="N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-atom4" elementType="C" x2="0.45691" y2="0.19024"/> <atom id="N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-atom5" elementType="C" x2="0.00488" y2="0.45691"/> <atom id="N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-atom6" elementType="H" x2="0.05691" y2="-0.66829"/> <atom id="N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-atom7" elementType="O" x2="-0.72358" y2="-0.1187"/> <atom id="N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-atom8" elementType="H" x2="-0.07642" y2="-0.73008"/> <atom id="N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-atom9" elementType="C" x2="0.62602" y2="-0.56423"/> <atom id="N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-atom10" elementType="P" x2="-0.72358" y2="-0.39512"/> <atom id="N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-atom11" elementType="C" x2="-0.07642" y2="-0.56423"/> <atom id="N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-atom12" elementType="C" x2="0.48943" y2="-0.83415"/> <atom id="N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-atom13" elementType="C" x2="0.72033" y2="0.59675"/> <atom id="N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-atom14" elementType="O" x2="0.72033" y2="0.87317"/> <atom id="N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-atom15" elementType="O" x2="-1.0" y2="-0.39512"/> <atom id="N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-atom16" elementType="C" x2="0.45691" y2="0.45691"/> <atom id="N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-atom17" elementType="C" x2="0.00488" y2="0.19024"/> <atom id="N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-atom18" elementType="O" x2="0.99675" y2="0.59675"/> <atom id="N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-atom19" elementType="O" x2="0.27805" y2="-0.36911"/> <atom id="N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-atom20" elementType="O" x2="-0.46341" y2="-0.39512"/> <atom id="N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-atom21" elementType="C" x2="-0.07642" y2="-0.39512"/> <atom id="N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-atom22" elementType="C" x2="0.05691" y2="-0.83415"/> <atom id="N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-atom23" elementType="H" x2="0.48943" y2="-0.66829"/> <atom id="N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-atom24" elementType="O" x2="-0.72358" y2="-0.67154"/> <atom id="N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-atom25" elementType="O" x2="0.05691" y2="-1.0"/> <atom id="N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-atom26" elementType="O" x2="0.48943" y2="-1.0"/> <atom id="N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-atom27" elementType="C" x2="0.22602" y2="0.58699"/> <bond id="N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-bond1" atomRefs="N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-atom27 N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-atom16" order="A"/> <bond id="N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-bond2" atomRefs="N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-atom26 N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-atom12" order="1"/> <bond id="N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-bond3" atomRefs="N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-atom25 N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-atom22" order="1"/> <bond id="N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-bond4" atomRefs="N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-atom24 N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-atom10" order="1"/> <bond id="N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-bond5" atomRefs="N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-atom23 N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-atom12" order="1"/> <bond id="N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-bond6" atomRefs="N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-atom22 N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-atom12" order="1"/> <bond id="N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-bond7" atomRefs="N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-atom21 N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-atom11" order="1"/> <bond id="N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-bond8" atomRefs="N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-atom20 N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-atom21" order="1"/> <bond id="N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-bond9" atomRefs="N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-atom19 N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-atom9" order="1"/> <bond id="N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-bond10" atomRefs="N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-atom18 N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-atom13" order="1"/> <bond id="N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-bond11" atomRefs="N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-atom1 N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-atom17" order="A"/> <bond id="N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-bond12" atomRefs="N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-atom16 N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-atom4" order="A"/> <bond id="N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-bond13" atomRefs="N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-atom15 N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-atom10" order="1"/> <bond id="N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-bond14" atomRefs="N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-atom14 N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-atom13" order="2"/> <bond id="N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-bond15" atomRefs="N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-atom13 N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-atom16" order="1"/> <bond id="N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-bond16" atomRefs="N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-atom11 N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-atom22" order="1"/> <bond id="N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-bond17" atomRefs="N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-atom11 N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-atom19" order="1"/> <bond id="N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-bond18" atomRefs="N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-atom10 N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-atom20" order="1"/> <bond id="N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-bond19" atomRefs="N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-atom9 N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-atom12" order="1"/> <bond id="N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-bond20" atomRefs="N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-atom8 N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-atom11" order="1"/> <bond id="N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-bond21" atomRefs="N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-atom7 N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-atom10" order="2"/> <bond id="N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-bond22" atomRefs="N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-atom6 N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-atom22" order="1"/> <bond id="N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-bond23" atomRefs="N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-atom5 N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-atom27" order="A"/> <bond id="N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-bond24" atomRefs="N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-atom17 N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-atom5" order="A"/> <bond id="N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-bond25" atomRefs="N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-atom4 N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-atom3" order="1"/> <bond id="N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-bond26" atomRefs="N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-atom3 N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-atom9" order="1"/> <bond id="N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-bond27" atomRefs="N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-atom2 N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-atom9" order="1"/> <bond id="N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-bond28" atomRefs="N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-atom4 N-(5-PHOSPHORIBOSYL)-ANTHRANILATE-atom1" order="A"/> <formula concise="C 12 H 16 N 1 O 9 P 1" formalCharge="0"/> 349.233 [CH]1([CH](O)[CH](O)[CH](O1)COP(O)(O)=O)Nc2(c(C(O)=O)cccc2)
Phosphoribosyl-anthranilate diphosphorylase
Phosphoribosyl-anthranilate pyrophosphorylase
<atom id="UMP-atom1" elementType="H" x2="6.3017" y2="-6.9907"/> <atom id="UMP-atom2" elementType="O" x2="8.6718" y2="-8.3025"/> <atom id="UMP-atom3" elementType="O" x2="6.3295" y2="-4.2426"/> <atom id="UMP-atom4" elementType="O" x2="1.3504" y2="-3.2567"/> <atom id="UMP-atom5" elementType="O" x2="4.5992" y2="-0.0021"/> <atom id="UMP-atom6" elementType="O" x2="7.5461" y2="0.0"/> <atom id="UMP-atom7" elementType="O" x2="0.0" y2="-1.9077"/> <atom id="UMP-atom8" elementType="O" x2="1.3463" y2="-0.5588"/> <atom id="UMP-atom9" elementType="C" x2="9.8588" y2="-6.279"/> <atom id="UMP-atom10" elementType="C" x2="9.8588" y2="-4.915"/> <atom id="UMP-atom11" elementType="C" x2="3.7053" y2="-2.8032"/> <atom id="UMP-atom12" elementType="O" x2="2.6993" y2="-1.9048"/> <atom id="UMP-atom13" elementType="O" x2="6.0703" y2="-3.1667"/> <atom id="UMP-atom14" elementType="C" x2="8.6754" y2="-6.9536"/> <atom id="UMP-atom15" elementType="C" x2="7.5073" y2="-4.915"/> <atom id="UMP-atom16" elementType="C" x2="5.3959" y2="-1.0907"/> <atom id="UMP-atom17" elementType="C" x2="6.7522" y2="-1.0907"/> <atom id="UMP-atom18" elementType="C" x2="4.9865" y2="-2.3814"/> <atom id="UMP-atom19" elementType="C" x2="7.1693" y2="-2.3814"/> <atom id="UMP-atom20" elementType="N" x2="7.5073" y2="-6.279"/> <atom id="UMP-atom21" elementType="N" x2="8.6754" y2="-4.2257"/> <atom id="UMP-atom22" elementType="P" x2="1.3489" y2="-1.9077"/> <bond id="UMP-bond1" atomRefs="UMP-atom19 UMP-atom21" order="1"/> <bond id="UMP-bond2" atomRefs="UMP-atom17 UMP-atom19" order="1"/> <bond id="UMP-bond3" atomRefs="UMP-atom16 UMP-atom18" order="1"/> <bond id="UMP-bond4" atomRefs="UMP-atom16 UMP-atom17" order="1"/> <bond id="UMP-bond5" atomRefs="UMP-atom15 UMP-atom21" order="A"/> <bond id="UMP-bond6" atomRefs="UMP-atom20 UMP-atom15" order="A"/> <bond id="UMP-bond7" atomRefs="UMP-atom14 UMP-atom20" order="A"/> <bond id="UMP-bond8" atomRefs="UMP-atom13 UMP-atom19" order="1"/> <bond id="UMP-bond9" atomRefs="UMP-atom13 UMP-atom18" order="1"/> <bond id="UMP-bond10" atomRefs="UMP-atom12 UMP-atom22" order="1"/> <bond id="UMP-bond11" atomRefs="UMP-atom18 UMP-atom11" order="1"/> <bond id="UMP-bond12" atomRefs="UMP-atom11 UMP-atom12" order="1"/> <bond id="UMP-bond13" atomRefs="UMP-atom21 UMP-atom10" order="A"/> <bond id="UMP-bond14" atomRefs="UMP-atom9 UMP-atom14" order="A"/> <bond id="UMP-bond15" atomRefs="UMP-atom10 UMP-atom9" order="A"/> <bond id="UMP-bond16" atomRefs="UMP-atom8 UMP-atom22" order="1"/> <bond id="UMP-bond17" atomRefs="UMP-atom7 UMP-atom22" order="1"/> <bond id="UMP-bond18" atomRefs="UMP-atom17 UMP-atom6" order="1"/> <bond id="UMP-bond19" atomRefs="UMP-atom16 UMP-atom5" order="1"/> <bond id="UMP-bond20" atomRefs="UMP-atom4 UMP-atom22" order="2"/> <bond id="UMP-bond21" atomRefs="UMP-atom3 UMP-atom15" order="2"/> <bond id="UMP-bond22" atomRefs="UMP-atom2 UMP-atom14" order="2"/> <bond id="UMP-bond23" atomRefs="UMP-atom1 UMP-atom20" order="1"/> <formula concise="C 9 H 13 N 2 O 9 P 1" formalCharge="0"/> 324.183 c1(n(c(=O)[nH]c(c1)=O)C2(OC(C(O)C2O)COP(O)(O)=O))
<atom id="URACIL-atom1" elementType="C" x2="0.38489208" y2="0.2086331"/> <atom id="URACIL-atom2" elementType="O" x2="-1.0" y2="-0.53956836"/> <atom id="URACIL-atom3" elementType="H" x2="-0.0647482" y2="-1.0"/> <atom id="URACIL-atom4" elementType="N" x2="-0.0647482" y2="-0.5827338"/> <atom id="URACIL-atom5" elementType="N" x2="-0.52517986" y2="0.2086331"/> <atom id="URACIL-atom6" elementType="C" x2="-0.52517986" y2="-0.31654677"/> <atom id="URACIL-atom7" elementType="O" x2="-0.0647482" y2="0.99640286"/> <atom id="URACIL-atom8" elementType="C" x2="-0.0647482" y2="0.47482014"/> <atom id="URACIL-atom9" elementType="C" x2="0.38489208" y2="-0.31654677"/> <atom id="URACIL-atom10" elementType="H" x2="-0.9856115" y2="0.46043167"/> <bond id="URACIL-bond1" atomRefs="URACIL-atom10 URACIL-atom5" order="1"/> <bond id="URACIL-bond2" atomRefs="URACIL-atom9 URACIL-atom4" order="A"/> <bond id="URACIL-bond3" atomRefs="URACIL-atom8 URACIL-atom1" order="A"/> <bond id="URACIL-bond4" atomRefs="URACIL-atom7 URACIL-atom8" order="2"/> <bond id="URACIL-bond5" atomRefs="URACIL-atom6 URACIL-atom5" order="A"/> <bond id="URACIL-bond6" atomRefs="URACIL-atom5 URACIL-atom8" order="A"/> <bond id="URACIL-bond7" atomRefs="URACIL-atom4 URACIL-atom3" order="1"/> <bond id="URACIL-bond8" atomRefs="URACIL-atom4 URACIL-atom6" order="A"/> <bond id="URACIL-bond9" atomRefs="URACIL-atom2 URACIL-atom6" order="2"/> <bond id="URACIL-bond10" atomRefs="URACIL-atom1 URACIL-atom9" order="A"/> <formula concise="C 4 H 4 N 2 O 2" formalCharge="0"/> 112.088 c1(=O)(cc[nH]c([nH]1)=O) 2,4-(1H,3H)-pyrimidinedione (9CI)
<atom id="3-DEOXY-D-ARABINO-HEPTULOSONATE-7-P-atom1" elementType="O" x2="-0.50331" y2="0.5"/> <atom id="3-DEOXY-D-ARABINO-HEPTULOSONATE-7-P-atom2" elementType="C" x2="-0.74834" y2="-0.25497"/> <atom id="3-DEOXY-D-ARABINO-HEPTULOSONATE-7-P-atom3" elementType="O" x2="-0.01656" y2="-0.75497"/> <atom id="3-DEOXY-D-ARABINO-HEPTULOSONATE-7-P-atom4" elementType="O" x2="-0.74834" y2="0.99669"/> <atom id="3-DEOXY-D-ARABINO-HEPTULOSONATE-7-P-atom5" elementType="O" x2="-0.50662" y2="-0.75497"/> <atom id="3-DEOXY-D-ARABINO-HEPTULOSONATE-7-P-atom6" elementType="P" x2="-0.26159" y2="-0.75497"/> <atom id="3-DEOXY-D-ARABINO-HEPTULOSONATE-7-P-atom7" elementType="C" x2="-0.74834" y2="0.24834"/> <atom id="3-DEOXY-D-ARABINO-HEPTULOSONATE-7-P-atom8" elementType="O" x2="-0.50993" y2="-0.25497"/> <atom id="3-DEOXY-D-ARABINO-HEPTULOSONATE-7-P-atom9" elementType="O" x2="-0.26159" y2="-1.0"/> <atom id="3-DEOXY-D-ARABINO-HEPTULOSONATE-7-P-atom10" elementType="O" x2="-1.0" y2="-0.00331"/> <atom id="3-DEOXY-D-ARABINO-HEPTULOSONATE-7-P-atom11" elementType="C" x2="-0.74834" y2="0.75166"/> <atom id="3-DEOXY-D-ARABINO-HEPTULOSONATE-7-P-atom12" elementType="C" x2="-0.74834" y2="-0.00331"/> <atom id="3-DEOXY-D-ARABINO-HEPTULOSONATE-7-P-atom13" elementType="C" x2="-0.74834" y2="0.5"/> <atom id="3-DEOXY-D-ARABINO-HEPTULOSONATE-7-P-atom14" elementType="C" x2="-0.74834" y2="-0.50662"/> <atom id="3-DEOXY-D-ARABINO-HEPTULOSONATE-7-P-atom15" elementType="O" x2="-0.26159" y2="-0.50993"/> <atom id="3-DEOXY-D-ARABINO-HEPTULOSONATE-7-P-atom16" elementType="O" x2="-0.50993" y2="-0.50662"/> <atom id="3-DEOXY-D-ARABINO-HEPTULOSONATE-7-P-atom17" elementType="O" x2="-0.50331" y2="0.75166"/> <atom id="3-DEOXY-D-ARABINO-HEPTULOSONATE-7-P-atom18" elementType="C" x2="-0.74834" y2="-0.75497"/> <bond id="3-DEOXY-D-ARABINO-HEPTULOSONATE-7-P-bond1" atomRefs="3-DEOXY-D-ARABINO-HEPTULOSONATE-7-P-atom18 3-DEOXY-D-ARABINO-HEPTULOSONATE-7-P-atom5" order="1"/> <bond id="3-DEOXY-D-ARABINO-HEPTULOSONATE-7-P-bond2" atomRefs="3-DEOXY-D-ARABINO-HEPTULOSONATE-7-P-atom17 3-DEOXY-D-ARABINO-HEPTULOSONATE-7-P-atom11" order="1"/> <bond id="3-DEOXY-D-ARABINO-HEPTULOSONATE-7-P-bond3" atomRefs="3-DEOXY-D-ARABINO-HEPTULOSONATE-7-P-atom16 3-DEOXY-D-ARABINO-HEPTULOSONATE-7-P-atom14" order="1"/> <bond id="3-DEOXY-D-ARABINO-HEPTULOSONATE-7-P-bond4" atomRefs="3-DEOXY-D-ARABINO-HEPTULOSONATE-7-P-atom15 3-DEOXY-D-ARABINO-HEPTULOSONATE-7-P-atom6" order="2"/> <bond id="3-DEOXY-D-ARABINO-HEPTULOSONATE-7-P-bond5" atomRefs="3-DEOXY-D-ARABINO-HEPTULOSONATE-7-P-atom14 3-DEOXY-D-ARABINO-HEPTULOSONATE-7-P-atom18" order="1"/> <bond id="3-DEOXY-D-ARABINO-HEPTULOSONATE-7-P-bond6" atomRefs="3-DEOXY-D-ARABINO-HEPTULOSONATE-7-P-atom13 3-DEOXY-D-ARABINO-HEPTULOSONATE-7-P-atom7" order="1"/> <bond id="3-DEOXY-D-ARABINO-HEPTULOSONATE-7-P-bond7" atomRefs="3-DEOXY-D-ARABINO-HEPTULOSONATE-7-P-atom12 3-DEOXY-D-ARABINO-HEPTULOSONATE-7-P-atom2" order="1"/> <bond id="3-DEOXY-D-ARABINO-HEPTULOSONATE-7-P-bond8" atomRefs="3-DEOXY-D-ARABINO-HEPTULOSONATE-7-P-atom11 3-DEOXY-D-ARABINO-HEPTULOSONATE-7-P-atom13" order="1"/> <bond id="3-DEOXY-D-ARABINO-HEPTULOSONATE-7-P-bond9" atomRefs="3-DEOXY-D-ARABINO-HEPTULOSONATE-7-P-atom10 3-DEOXY-D-ARABINO-HEPTULOSONATE-7-P-atom12" order="1"/> <bond id="3-DEOXY-D-ARABINO-HEPTULOSONATE-7-P-bond10" atomRefs="3-DEOXY-D-ARABINO-HEPTULOSONATE-7-P-atom9 3-DEOXY-D-ARABINO-HEPTULOSONATE-7-P-atom6" order="1"/> <bond id="3-DEOXY-D-ARABINO-HEPTULOSONATE-7-P-bond11" atomRefs="3-DEOXY-D-ARABINO-HEPTULOSONATE-7-P-atom8 3-DEOXY-D-ARABINO-HEPTULOSONATE-7-P-atom2" order="1"/> <bond id="3-DEOXY-D-ARABINO-HEPTULOSONATE-7-P-bond12" atomRefs="3-DEOXY-D-ARABINO-HEPTULOSONATE-7-P-atom7 3-DEOXY-D-ARABINO-HEPTULOSONATE-7-P-atom12" order="1"/> <bond id="3-DEOXY-D-ARABINO-HEPTULOSONATE-7-P-bond13" atomRefs="3-DEOXY-D-ARABINO-HEPTULOSONATE-7-P-atom5 3-DEOXY-D-ARABINO-HEPTULOSONATE-7-P-atom6" order="1"/> <bond id="3-DEOXY-D-ARABINO-HEPTULOSONATE-7-P-bond14" atomRefs="3-DEOXY-D-ARABINO-HEPTULOSONATE-7-P-atom4 3-DEOXY-D-ARABINO-HEPTULOSONATE-7-P-atom11" order="2"/> <bond id="3-DEOXY-D-ARABINO-HEPTULOSONATE-7-P-bond15" atomRefs="3-DEOXY-D-ARABINO-HEPTULOSONATE-7-P-atom3 3-DEOXY-D-ARABINO-HEPTULOSONATE-7-P-atom6" order="1"/> <bond id="3-DEOXY-D-ARABINO-HEPTULOSONATE-7-P-bond16" atomRefs="3-DEOXY-D-ARABINO-HEPTULOSONATE-7-P-atom2 3-DEOXY-D-ARABINO-HEPTULOSONATE-7-P-atom14" order="1"/> <bond id="3-DEOXY-D-ARABINO-HEPTULOSONATE-7-P-bond17" atomRefs="3-DEOXY-D-ARABINO-HEPTULOSONATE-7-P-atom1 3-DEOXY-D-ARABINO-HEPTULOSONATE-7-P-atom13" order="2"/> <formula concise="C 7 H 13 O 10 P 1" formalCharge="0"/> 288.147 C(=O)(O)C(=O)CC(O)C(O)C(O)COP(O)(=O)O
3-deoxy-arabino-heptulosonate 7-phosphate
2-dehydro-3-deoxy-D-arabino-heptonate 7-phosphate
2-dehydro-3-deoxyphosphoheptonate aldolase
<atom id="PHOSPHO-ENOL-PYRUVATE-atom1" elementType="O" x2="-0.57576" y2="-0.15789"/> <atom id="PHOSPHO-ENOL-PYRUVATE-atom2" elementType="O" x2="0.24721" y2="0.33652"/> <atom id="PHOSPHO-ENOL-PYRUVATE-atom3" elementType="O" x2="-1.0" y2="-0.57576"/> <atom id="PHOSPHO-ENOL-PYRUVATE-atom4" elementType="C" x2="-0.57576" y2="0.26635"/> <atom id="PHOSPHO-ENOL-PYRUVATE-atom5" elementType="C" x2="-0.9075" y2="0.52791"/> <atom id="PHOSPHO-ENOL-PYRUVATE-atom6" elementType="O" x2="-0.15152" y2="-0.57576"/> <atom id="PHOSPHO-ENOL-PYRUVATE-atom7" elementType="O" x2="-0.57576" y2="-1.0"/> <atom id="PHOSPHO-ENOL-PYRUVATE-atom8" elementType="O" x2="-0.10686" y2="0.99681"/> <atom id="PHOSPHO-ENOL-PYRUVATE-atom9" elementType="P" x2="-0.57576" y2="-0.57576"/> <atom id="PHOSPHO-ENOL-PYRUVATE-atom10" elementType="C" x2="-0.10686" y2="0.57257"/> <bond id="PHOSPHO-ENOL-PYRUVATE-bond1" atomRefs="PHOSPHO-ENOL-PYRUVATE-atom10 PHOSPHO-ENOL-PYRUVATE-atom4" order="1"/> <bond id="PHOSPHO-ENOL-PYRUVATE-bond2" atomRefs="PHOSPHO-ENOL-PYRUVATE-atom8 PHOSPHO-ENOL-PYRUVATE-atom10" order="2"/> <bond id="PHOSPHO-ENOL-PYRUVATE-bond3" atomRefs="PHOSPHO-ENOL-PYRUVATE-atom7 PHOSPHO-ENOL-PYRUVATE-atom9" order="2"/> <bond id="PHOSPHO-ENOL-PYRUVATE-bond4" atomRefs="PHOSPHO-ENOL-PYRUVATE-atom6 PHOSPHO-ENOL-PYRUVATE-atom9" order="1"/> <bond id="PHOSPHO-ENOL-PYRUVATE-bond5" atomRefs="PHOSPHO-ENOL-PYRUVATE-atom5 PHOSPHO-ENOL-PYRUVATE-atom4" order="2"/> <bond id="PHOSPHO-ENOL-PYRUVATE-bond6" atomRefs="PHOSPHO-ENOL-PYRUVATE-atom4 PHOSPHO-ENOL-PYRUVATE-atom1" order="1"/> <bond id="PHOSPHO-ENOL-PYRUVATE-bond7" atomRefs="PHOSPHO-ENOL-PYRUVATE-atom3 PHOSPHO-ENOL-PYRUVATE-atom9" order="1"/> <bond id="PHOSPHO-ENOL-PYRUVATE-bond8" atomRefs="PHOSPHO-ENOL-PYRUVATE-atom2 PHOSPHO-ENOL-PYRUVATE-atom10" order="1"/> <bond id="PHOSPHO-ENOL-PYRUVATE-bond9" atomRefs="PHOSPHO-ENOL-PYRUVATE-atom1 PHOSPHO-ENOL-PYRUVATE-atom9" order="1"/> <formula concise="C 3 H 5 O 6 P 1" formalCharge="0"/> 168.043 C=C(C(=O)O)OP(O)(=O)O
Phospho-2-keto-3-deoxyheptonate aldolase
Phospho-2-dehydro-3-deoxyheptonate aldolase
<atom id="DELTA3-ISOPENTENYL-PP-atom1" elementType="O" x2="-29700.0" y2="-23428.0"/> <atom id="DELTA3-ISOPENTENYL-PP-atom2" elementType="O" x2="-21450.0" y2="-31682.0"/> <atom id="DELTA3-ISOPENTENYL-PP-atom3" elementType="C" x2="20544.0" y2="-18352.0"/> <atom id="DELTA3-ISOPENTENYL-PP-atom4" elementType="P" x2="-21450.0" y2="-23428.0"/> <atom id="DELTA3-ISOPENTENYL-PP-atom5" elementType="C" x2="28054.0" y2="-24065.0"/> <atom id="DELTA3-ISOPENTENYL-PP-atom6" elementType="O" x2="-21450.0" y2="-15178.0"/> <atom id="DELTA3-ISOPENTENYL-PP-atom7" elementType="P" x2="-2940.0" y2="-23428.0"/> <atom id="DELTA3-ISOPENTENYL-PP-atom8" elementType="O" x2="-2940.0" y2="-31682.0"/> <atom id="DELTA3-ISOPENTENYL-PP-atom9" elementType="C" x2="28054.0" y2="-32315.0"/> <atom id="DELTA3-ISOPENTENYL-PP-atom10" elementType="O" x2="5947.0" y2="-23428.0"/> <atom id="DELTA3-ISOPENTENYL-PP-atom11" elementType="O" x2="-11506.0" y2="-23428.0"/> <atom id="DELTA3-ISOPENTENYL-PP-atom12" elementType="C" x2="14514.0" y2="-23428.0"/> <atom id="DELTA3-ISOPENTENYL-PP-atom13" elementType="C" x2="34823.0" y2="-19408.0"/> <atom id="DELTA3-ISOPENTENYL-PP-atom14" elementType="O" x2="-2940.0" y2="-15178.0"/> <bond id="DELTA3-ISOPENTENYL-PP-bond1" atomRefs="DELTA3-ISOPENTENYL-PP-atom14 DELTA3-ISOPENTENYL-PP-atom7" order="2"/> <bond id="DELTA3-ISOPENTENYL-PP-bond2" atomRefs="DELTA3-ISOPENTENYL-PP-atom13 DELTA3-ISOPENTENYL-PP-atom5" order="1"/> <bond id="DELTA3-ISOPENTENYL-PP-bond3" atomRefs="DELTA3-ISOPENTENYL-PP-atom12 DELTA3-ISOPENTENYL-PP-atom10" order="1"/> <bond id="DELTA3-ISOPENTENYL-PP-bond4" atomRefs="DELTA3-ISOPENTENYL-PP-atom11 DELTA3-ISOPENTENYL-PP-atom4" order="1"/> <bond id="DELTA3-ISOPENTENYL-PP-bond5" atomRefs="DELTA3-ISOPENTENYL-PP-atom10 DELTA3-ISOPENTENYL-PP-atom7" order="1"/> <bond id="DELTA3-ISOPENTENYL-PP-bond6" atomRefs="DELTA3-ISOPENTENYL-PP-atom9 DELTA3-ISOPENTENYL-PP-atom5" order="1"/> <bond id="DELTA3-ISOPENTENYL-PP-bond7" atomRefs="DELTA3-ISOPENTENYL-PP-atom8 DELTA3-ISOPENTENYL-PP-atom7" order="1"/> <bond id="DELTA3-ISOPENTENYL-PP-bond8" atomRefs="DELTA3-ISOPENTENYL-PP-atom7 DELTA3-ISOPENTENYL-PP-atom11" order="1"/> <bond id="DELTA3-ISOPENTENYL-PP-bond9" atomRefs="DELTA3-ISOPENTENYL-PP-atom6 DELTA3-ISOPENTENYL-PP-atom4" order="2"/> <bond id="DELTA3-ISOPENTENYL-PP-bond10" atomRefs="DELTA3-ISOPENTENYL-PP-atom5 DELTA3-ISOPENTENYL-PP-atom3" order="2"/> <bond id="DELTA3-ISOPENTENYL-PP-bond11" atomRefs="DELTA3-ISOPENTENYL-PP-atom3 DELTA3-ISOPENTENYL-PP-atom12" order="1"/> <bond id="DELTA3-ISOPENTENYL-PP-bond12" atomRefs="DELTA3-ISOPENTENYL-PP-atom2 DELTA3-ISOPENTENYL-PP-atom4" order="1"/> <bond id="DELTA3-ISOPENTENYL-PP-bond13" atomRefs="DELTA3-ISOPENTENYL-PP-atom1 DELTA3-ISOPENTENYL-PP-atom4" order="1"/> <formula concise="C 5 H 12 O 7 P 2" formalCharge="0"/> 246.093 CC(C)=CCOP(O)(=O)OP(O)(=O)O
<atom id="GERANYL-PP-atom1" elementType="O" x2="0.25628" y2="-0.8258"/> <atom id="GERANYL-PP-atom2" elementType="C" x2="-0.09883" y2="-0.83585"/> <atom id="GERANYL-PP-atom3" elementType="O" x2="0.43719" y2="-1.0"/> <atom id="GERANYL-PP-atom4" elementType="P" x2="0.82245" y2="-0.8258"/> <atom id="GERANYL-PP-atom5" elementType="C" x2="-0.24958" y2="-0.74874"/> <atom id="GERANYL-PP-atom6" elementType="O" x2="0.82245" y2="-0.65159"/> <atom id="GERANYL-PP-atom7" elementType="P" x2="0.43719" y2="-0.8258"/> <atom id="GERANYL-PP-atom8" elementType="C" x2="-0.70184" y2="-0.83585"/> <atom id="GERANYL-PP-atom9" elementType="C" x2="0.06198" y2="-0.73534"/> <atom id="GERANYL-PP-atom10" elementType="C" x2="-1.0" y2="-0.83585"/> <atom id="GERANYL-PP-atom11" elementType="C" x2="-0.84925" y2="-0.74874"/> <atom id="GERANYL-PP-atom12" elementType="C" x2="-0.24958" y2="-0.57454"/> <atom id="GERANYL-PP-atom13" elementType="O" x2="0.61474" y2="-0.8258"/> <atom id="GERANYL-PP-atom14" elementType="O" x2="0.82245" y2="-1.0"/> <atom id="GERANYL-PP-atom15" elementType="O" x2="0.99665" y2="-0.8258"/> <atom id="GERANYL-PP-atom16" elementType="O" x2="0.43719" y2="-0.65159"/> <atom id="GERANYL-PP-atom17" elementType="C" x2="-0.40034" y2="-0.83585"/> <atom id="GERANYL-PP-atom18" elementType="C" x2="-0.84925" y2="-0.57454"/> <atom id="GERANYL-PP-atom19" elementType="C" x2="-0.55109" y2="-0.74874"/> <bond id="GERANYL-PP-bond1" atomRefs="GERANYL-PP-atom19 GERANYL-PP-atom17" order="1"/> <bond id="GERANYL-PP-bond2" atomRefs="GERANYL-PP-atom18 GERANYL-PP-atom11" order="1"/> <bond id="GERANYL-PP-bond3" atomRefs="GERANYL-PP-atom17 GERANYL-PP-atom5" order="1"/> <bond id="GERANYL-PP-bond4" atomRefs="GERANYL-PP-atom16 GERANYL-PP-atom7" order="2"/> <bond id="GERANYL-PP-bond5" atomRefs="GERANYL-PP-atom15 GERANYL-PP-atom4" order="1"/> <bond id="GERANYL-PP-bond6" atomRefs="GERANYL-PP-atom14 GERANYL-PP-atom4" order="1"/> <bond id="GERANYL-PP-bond7" atomRefs="GERANYL-PP-atom13 GERANYL-PP-atom4" order="1"/> <bond id="GERANYL-PP-bond8" atomRefs="GERANYL-PP-atom12 GERANYL-PP-atom5" order="1"/> <bond id="GERANYL-PP-bond9" atomRefs="GERANYL-PP-atom11 GERANYL-PP-atom8" order="2"/> <bond id="GERANYL-PP-bond10" atomRefs="GERANYL-PP-atom10 GERANYL-PP-atom11" order="1"/> <bond id="GERANYL-PP-bond11" atomRefs="GERANYL-PP-atom9 GERANYL-PP-atom1" order="1"/> <bond id="GERANYL-PP-bond12" atomRefs="GERANYL-PP-atom8 GERANYL-PP-atom19" order="1"/> <bond id="GERANYL-PP-bond13" atomRefs="GERANYL-PP-atom7 GERANYL-PP-atom13" order="1"/> <bond id="GERANYL-PP-bond14" atomRefs="GERANYL-PP-atom6 GERANYL-PP-atom4" order="2"/> <bond id="GERANYL-PP-bond15" atomRefs="GERANYL-PP-atom5 GERANYL-PP-atom2" order="2"/> <bond id="GERANYL-PP-bond16" atomRefs="GERANYL-PP-atom3 GERANYL-PP-atom7" order="1"/> <bond id="GERANYL-PP-bond17" atomRefs="GERANYL-PP-atom2 GERANYL-PP-atom9" order="1"/> <bond id="GERANYL-PP-bond18" atomRefs="GERANYL-PP-atom1 GERANYL-PP-atom7" order="1"/> <formula concise="C 10 H 20 O 7 P 2" formalCharge="0"/> 314.211 C(OP(O)(=O)OP(O)(O)=O)C=C(C)CCC=C(C)C
<atom id="delta(3)-isopentenyl-pp-atom1" elementType="O" x2="0.99673" y2="-0.72504"/> <atom id="delta(3)-isopentenyl-pp-atom2" elementType="O" x2="0.74141" y2="-0.98036"/> <atom id="delta(3)-isopentenyl-pp-atom3" elementType="C" x2="-0.5581" y2="-0.56792"/> <atom id="delta(3)-isopentenyl-pp-atom4" elementType="P" x2="0.74141" y2="-0.72504"/> <atom id="delta(3)-isopentenyl-pp-atom5" elementType="C" x2="-0.79051" y2="-0.74468"/> <atom id="delta(3)-isopentenyl-pp-atom6" elementType="O" x2="0.74141" y2="-0.46972"/> <atom id="delta(3)-isopentenyl-pp-atom7" elementType="P" x2="0.16858" y2="-0.72504"/> <atom id="delta(3)-isopentenyl-pp-atom8" elementType="O" x2="0.16858" y2="-0.98036"/> <atom id="delta(3)-isopentenyl-pp-atom9" elementType="C" x2="-0.79051" y2="-1.0"/> <atom id="delta(3)-isopentenyl-pp-atom10" elementType="O" x2="-0.10638" y2="-0.72504"/> <atom id="delta(3)-isopentenyl-pp-atom11" elementType="O" x2="0.43372" y2="-0.72504"/> <atom id="delta(3)-isopentenyl-pp-atom12" elementType="C" x2="-0.37152" y2="-0.72504"/> <atom id="delta(3)-isopentenyl-pp-atom13" elementType="C" x2="-1.0" y2="-0.60065"/> <atom id="delta(3)-isopentenyl-pp-atom14" elementType="O" x2="0.16858" y2="-0.46972"/> <bond id="delta(3)-isopentenyl-pp-bond1" atomRefs="delta(3)-isopentenyl-pp-atom14 delta(3)-isopentenyl-pp-atom7" order="2"/> <bond id="delta(3)-isopentenyl-pp-bond2" atomRefs="delta(3)-isopentenyl-pp-atom13 delta(3)-isopentenyl-pp-atom5" order="2"/> <bond id="delta(3)-isopentenyl-pp-bond3" atomRefs="delta(3)-isopentenyl-pp-atom12 delta(3)-isopentenyl-pp-atom10" order="1"/> <bond id="delta(3)-isopentenyl-pp-bond4" atomRefs="delta(3)-isopentenyl-pp-atom11 delta(3)-isopentenyl-pp-atom4" order="1"/> <bond id="delta(3)-isopentenyl-pp-bond5" atomRefs="delta(3)-isopentenyl-pp-atom10 delta(3)-isopentenyl-pp-atom7" order="1"/> <bond id="delta(3)-isopentenyl-pp-bond6" atomRefs="delta(3)-isopentenyl-pp-atom9 delta(3)-isopentenyl-pp-atom5" order="1"/> <bond id="delta(3)-isopentenyl-pp-bond7" atomRefs="delta(3)-isopentenyl-pp-atom8 delta(3)-isopentenyl-pp-atom7" order="1"/> <bond id="delta(3)-isopentenyl-pp-bond8" atomRefs="delta(3)-isopentenyl-pp-atom7 delta(3)-isopentenyl-pp-atom11" order="1"/> <bond id="delta(3)-isopentenyl-pp-bond9" atomRefs="delta(3)-isopentenyl-pp-atom6 delta(3)-isopentenyl-pp-atom4" order="2"/> <bond id="delta(3)-isopentenyl-pp-bond10" atomRefs="delta(3)-isopentenyl-pp-atom5 delta(3)-isopentenyl-pp-atom3" order="1"/> <bond id="delta(3)-isopentenyl-pp-bond11" atomRefs="delta(3)-isopentenyl-pp-atom3 delta(3)-isopentenyl-pp-atom12" order="1"/> <bond id="delta(3)-isopentenyl-pp-bond12" atomRefs="delta(3)-isopentenyl-pp-atom2 delta(3)-isopentenyl-pp-atom4" order="1"/> <bond id="delta(3)-isopentenyl-pp-bond13" atomRefs="delta(3)-isopentenyl-pp-atom1 delta(3)-isopentenyl-pp-atom4" order="1"/> <formula concise="C 5 H 12 O 7 P 2" formalCharge="0"/> 246.093 CC(=C)CCOP(O)(=O)OP(O)(=O)O
<atom id="FARNESYL-PP-atom1" elementType="C" x2="-1.0" y2="-0.85785"/> <atom id="FARNESYL-PP-atom2" elementType="C" x2="-0.87438" y2="-0.79174"/> <atom id="FARNESYL-PP-atom3" elementType="O" x2="0.42479" y2="-0.85785"/> <atom id="FARNESYL-PP-atom4" elementType="C" x2="-0.87438" y2="-0.64959"/> <atom id="FARNESYL-PP-atom5" elementType="O" x2="0.99669" y2="-0.85785"/> <atom id="FARNESYL-PP-atom6" elementType="P" x2="0.85455" y2="-0.85785"/> <atom id="FARNESYL-PP-atom7" elementType="C" x2="0.04132" y2="-0.80165"/> <atom id="FARNESYL-PP-atom8" elementType="O" x2="0.85455" y2="-0.7157"/> <atom id="FARNESYL-PP-atom9" elementType="P" x2="0.56364" y2="-0.85785"/> <atom id="FARNESYL-PP-atom10" elementType="C" x2="0.15702" y2="-0.86777"/> <atom id="FARNESYL-PP-atom11" elementType="O" x2="0.85455" y2="-1.0"/> <atom id="FARNESYL-PP-atom12" elementType="C" x2="-0.18678" y2="-0.80165"/> <atom id="FARNESYL-PP-atom13" elementType="C" x2="-0.41818" y2="-0.80165"/> <atom id="FARNESYL-PP-atom14" elementType="C" x2="0.04132" y2="-0.6595"/> <atom id="FARNESYL-PP-atom15" elementType="C" x2="-0.53058" y2="-0.86777"/> <atom id="FARNESYL-PP-atom16" elementType="O" x2="0.69587" y2="-0.85785"/> <atom id="FARNESYL-PP-atom17" elementType="C" x2="-0.30248" y2="-0.86777"/> <atom id="FARNESYL-PP-atom18" elementType="C" x2="-0.76198" y2="-0.85785"/> <atom id="FARNESYL-PP-atom19" elementType="O" x2="0.56364" y2="-0.7157"/> <atom id="FARNESYL-PP-atom20" elementType="C" x2="-0.41818" y2="-0.6595"/> <atom id="FARNESYL-PP-atom21" elementType="C" x2="0.27603" y2="-0.79174"/> <atom id="FARNESYL-PP-atom22" elementType="C" x2="-0.64628" y2="-0.79504"/> <atom id="FARNESYL-PP-atom23" elementType="O" x2="0.56364" y2="-1.0"/> <atom id="FARNESYL-PP-atom24" elementType="C" x2="-0.07438" y2="-0.86777"/> <bond id="FARNESYL-PP-bond1" atomRefs="FARNESYL-PP-atom24 FARNESYL-PP-atom7" order="1"/> <bond id="FARNESYL-PP-bond2" atomRefs="FARNESYL-PP-atom23 FARNESYL-PP-atom9" order="1"/> <bond id="FARNESYL-PP-bond3" atomRefs="FARNESYL-PP-atom22 FARNESYL-PP-atom15" order="1"/> <bond id="FARNESYL-PP-bond4" atomRefs="FARNESYL-PP-atom21 FARNESYL-PP-atom3" order="1"/> <bond id="FARNESYL-PP-bond5" atomRefs="FARNESYL-PP-atom20 FARNESYL-PP-atom13" order="1"/> <bond id="FARNESYL-PP-bond6" atomRefs="FARNESYL-PP-atom19 FARNESYL-PP-atom9" order="2"/> <bond id="FARNESYL-PP-bond7" atomRefs="FARNESYL-PP-atom18 FARNESYL-PP-atom22" order="1"/> <bond id="FARNESYL-PP-bond8" atomRefs="FARNESYL-PP-atom17 FARNESYL-PP-atom12" order="1"/> <bond id="FARNESYL-PP-bond9" atomRefs="FARNESYL-PP-atom16 FARNESYL-PP-atom6" order="1"/> <bond id="FARNESYL-PP-bond10" atomRefs="FARNESYL-PP-atom15 FARNESYL-PP-atom13" order="1"/> <bond id="FARNESYL-PP-bond11" atomRefs="FARNESYL-PP-atom14 FARNESYL-PP-atom7" order="1"/> <bond id="FARNESYL-PP-bond12" atomRefs="FARNESYL-PP-atom13 FARNESYL-PP-atom17" order="2"/> <bond id="FARNESYL-PP-bond13" atomRefs="FARNESYL-PP-atom12 FARNESYL-PP-atom24" order="1"/> <bond id="FARNESYL-PP-bond14" atomRefs="FARNESYL-PP-atom11 FARNESYL-PP-atom6" order="1"/> <bond id="FARNESYL-PP-bond15" atomRefs="FARNESYL-PP-atom10 FARNESYL-PP-atom21" order="1"/> <bond id="FARNESYL-PP-bond16" atomRefs="FARNESYL-PP-atom9 FARNESYL-PP-atom16" order="1"/> <bond id="FARNESYL-PP-bond17" atomRefs="FARNESYL-PP-atom8 FARNESYL-PP-atom6" order="2"/> <bond id="FARNESYL-PP-bond18" atomRefs="FARNESYL-PP-atom7 FARNESYL-PP-atom10" order="2"/> <bond id="FARNESYL-PP-bond19" atomRefs="FARNESYL-PP-atom5 FARNESYL-PP-atom6" order="1"/> <bond id="FARNESYL-PP-bond20" atomRefs="FARNESYL-PP-atom4 FARNESYL-PP-atom2" order="1"/> <bond id="FARNESYL-PP-bond21" atomRefs="FARNESYL-PP-atom3 FARNESYL-PP-atom9" order="1"/> <bond id="FARNESYL-PP-bond22" atomRefs="FARNESYL-PP-atom2 FARNESYL-PP-atom18" order="2"/> <bond id="FARNESYL-PP-bond23" atomRefs="FARNESYL-PP-atom1 FARNESYL-PP-atom2" order="1"/> <formula concise="C 15 H 28 O 7 P 2" formalCharge="0"/> 382.33 CC(C)=CCCC(C)=CCCC(C)=CCOP(=O)(O)OP(=O)(O)O
2-trans,6-trans-farnesyl diphosphate
trans, trans-farnesyl diphosphate
<atom id="PUTRESCINE-atom1" elementType="N" x2="-1.0" y2="-1.0"/> <atom id="PUTRESCINE-atom2" elementType="C" x2="0.19472" y2="-0.76898"/> <atom id="PUTRESCINE-atom3" elementType="C" x2="-0.60066" y2="-0.76898"/> <atom id="PUTRESCINE-atom4" elementType="N" x2="0.9967" y2="-0.76898"/> <atom id="PUTRESCINE-atom5" elementType="C" x2="0.59736" y2="-1.0"/> <atom id="PUTRESCINE-atom6" elementType="C" x2="-0.20132" y2="-1.0"/> <bond id="PUTRESCINE-bond1" atomRefs="PUTRESCINE-atom6 PUTRESCINE-atom3" order="1"/> <bond id="PUTRESCINE-bond2" atomRefs="PUTRESCINE-atom5 PUTRESCINE-atom2" order="1"/> <bond id="PUTRESCINE-bond3" atomRefs="PUTRESCINE-atom4 PUTRESCINE-atom5" order="1"/> <bond id="PUTRESCINE-bond4" atomRefs="PUTRESCINE-atom3 PUTRESCINE-atom1" order="1"/> <bond id="PUTRESCINE-bond5" atomRefs="PUTRESCINE-atom2 PUTRESCINE-atom6" order="1"/> <formula concise="C 4 H 12 N 2" formalCharge="0"/> 88.152 C(N)CCCN 1,4-butanediamine
<atom id="S-ADENOSYLMETHIONINAMINE-atom1" elementType="N" x2="0.3706" y2="11.2786"/> <atom id="S-ADENOSYLMETHIONINAMINE-atom2" elementType="C" x2="1.3567" y2="12.1707"/> <atom id="S-ADENOSYLMETHIONINAMINE-atom3" elementType="C" x2="2.6612" y2="11.8086"/> <atom id="S-ADENOSYLMETHIONINAMINE-atom4" elementType="C" x2="3.1403" y2="10.5358"/> <atom id="S-ADENOSYLMETHIONINAMINE-atom5" elementType="S" x2="4.4968" y2="10.5736" formalCharge="1"/> <atom id="S-ADENOSYLMETHIONINAMINE-atom6" elementType="O" x2="10.337" y2="13.3607"/> <atom id="S-ADENOSYLMETHIONINAMINE-atom7" elementType="O" x2="7.3969" y2="13.3761"/> <atom id="S-ADENOSYLMETHIONINAMINE-atom8" elementType="O" x2="8.8331" y2="10.2045"/> <atom id="S-ADENOSYLMETHIONINAMINE-atom9" elementType="C" x2="9.949" y2="11.0113"/> <atom id="S-ADENOSYLMETHIONINAMINE-atom10" elementType="C" x2="9.5386" y2="12.2784"/> <atom id="S-ADENOSYLMETHIONINAMINE-atom11" elementType="C" x2="8.1689" y2="12.2784"/> <atom id="S-ADENOSYLMETHIONINAMINE-atom12" elementType="C" x2="7.7434" y2="10.9919"/> <atom id="S-ADENOSYLMETHIONINAMINE-atom13" elementType="N" x2="8.3426" y2="9.0072"/> <atom id="S-ADENOSYLMETHIONINAMINE-atom14" elementType="C" x2="7.1954" y2="8.2715"/> <atom id="S-ADENOSYLMETHIONINAMINE-atom15" elementType="N" x2="7.1721" y2="6.9685"/> <atom id="S-ADENOSYLMETHIONINAMINE-atom16" elementType="C" x2="8.3551" y2="6.2917"/> <atom id="S-ADENOSYLMETHIONINAMINE-atom17" elementType="C" x2="9.5256" y2="8.3304"/> <atom id="S-ADENOSYLMETHIONINAMINE-atom18" elementType="C" x2="9.5282" y2="6.9844"/> <atom id="S-ADENOSYLMETHIONINAMINE-atom19" elementType="N" x2="10.8118" y2="6.5771"/> <atom id="S-ADENOSYLMETHIONINAMINE-atom20" elementType="C" x2="11.5923" y2="7.6555"/> <atom id="S-ADENOSYLMETHIONINAMINE-atom21" elementType="N" x2="10.8094" y2="8.751"/> <atom id="S-ADENOSYLMETHIONINAMINE-atom22" elementType="N" x2="8.3639" y2="4.9417"/> <atom id="S-ADENOSYLMETHIONINAMINE-atom23" elementType="C" x2="6.4583" y2="10.5959"/> <atom id="S-ADENOSYLMETHIONINAMINE-atom24" elementType="C" x2="4.4898" y2="8.9847"/> <bond id="S-ADENOSYLMETHIONINAMINE-bond1" atomRefs="S-ADENOSYLMETHIONINAMINE-atom5 S-ADENOSYLMETHIONINAMINE-atom24" order="1"/> <bond id="S-ADENOSYLMETHIONINAMINE-bond2" atomRefs="S-ADENOSYLMETHIONINAMINE-atom5 S-ADENOSYLMETHIONINAMINE-atom23" order="1"/> <bond id="S-ADENOSYLMETHIONINAMINE-bond3" atomRefs="S-ADENOSYLMETHIONINAMINE-atom9 S-ADENOSYLMETHIONINAMINE-atom21" order="1"/> <bond id="S-ADENOSYLMETHIONINAMINE-bond4" atomRefs="S-ADENOSYLMETHIONINAMINE-atom16 S-ADENOSYLMETHIONINAMINE-atom22" order="1"/> <bond id="S-ADENOSYLMETHIONINAMINE-bond5" atomRefs="S-ADENOSYLMETHIONINAMINE-atom17 S-ADENOSYLMETHIONINAMINE-atom21" order="A"/> <bond id="S-ADENOSYLMETHIONINAMINE-bond6" atomRefs="S-ADENOSYLMETHIONINAMINE-atom21 S-ADENOSYLMETHIONINAMINE-atom20" order="A"/> <bond id="S-ADENOSYLMETHIONINAMINE-bond7" atomRefs="S-ADENOSYLMETHIONINAMINE-atom20 S-ADENOSYLMETHIONINAMINE-atom19" order="A"/> <bond id="S-ADENOSYLMETHIONINAMINE-bond8" atomRefs="S-ADENOSYLMETHIONINAMINE-atom19 S-ADENOSYLMETHIONINAMINE-atom18" order="A"/> <bond id="S-ADENOSYLMETHIONINAMINE-bond9" atomRefs="S-ADENOSYLMETHIONINAMINE-atom18 S-ADENOSYLMETHIONINAMINE-atom17" order="A"/> <bond id="S-ADENOSYLMETHIONINAMINE-bond10" atomRefs="S-ADENOSYLMETHIONINAMINE-atom18 S-ADENOSYLMETHIONINAMINE-atom16" order="A"/> <bond id="S-ADENOSYLMETHIONINAMINE-bond11" atomRefs="S-ADENOSYLMETHIONINAMINE-atom16 S-ADENOSYLMETHIONINAMINE-atom15" order="A"/> <bond id="S-ADENOSYLMETHIONINAMINE-bond12" atomRefs="S-ADENOSYLMETHIONINAMINE-atom15 S-ADENOSYLMETHIONINAMINE-atom14" order="A"/> <bond id="S-ADENOSYLMETHIONINAMINE-bond13" atomRefs="S-ADENOSYLMETHIONINAMINE-atom14 S-ADENOSYLMETHIONINAMINE-atom13" order="A"/> <bond id="S-ADENOSYLMETHIONINAMINE-bond14" atomRefs="S-ADENOSYLMETHIONINAMINE-atom13 S-ADENOSYLMETHIONINAMINE-atom17" order="A"/> <bond id="S-ADENOSYLMETHIONINAMINE-bond15" atomRefs="S-ADENOSYLMETHIONINAMINE-atom11 S-ADENOSYLMETHIONINAMINE-atom7" order="1"/> <bond id="S-ADENOSYLMETHIONINAMINE-bond16" atomRefs="S-ADENOSYLMETHIONINAMINE-atom10 S-ADENOSYLMETHIONINAMINE-atom6" order="1"/> <bond id="S-ADENOSYLMETHIONINAMINE-bond17" atomRefs="S-ADENOSYLMETHIONINAMINE-atom12 S-ADENOSYLMETHIONINAMINE-atom23" order="1"/> <bond id="S-ADENOSYLMETHIONINAMINE-bond18" atomRefs="S-ADENOSYLMETHIONINAMINE-atom9 S-ADENOSYLMETHIONINAMINE-atom10" order="1"/> <bond id="S-ADENOSYLMETHIONINAMINE-bond19" atomRefs="S-ADENOSYLMETHIONINAMINE-atom11 S-ADENOSYLMETHIONINAMINE-atom10" order="1"/> <bond id="S-ADENOSYLMETHIONINAMINE-bond20" atomRefs="S-ADENOSYLMETHIONINAMINE-atom8 S-ADENOSYLMETHIONINAMINE-atom9" order="1"/> <bond id="S-ADENOSYLMETHIONINAMINE-bond21" atomRefs="S-ADENOSYLMETHIONINAMINE-atom12 S-ADENOSYLMETHIONINAMINE-atom11" order="1"/> <bond id="S-ADENOSYLMETHIONINAMINE-bond22" atomRefs="S-ADENOSYLMETHIONINAMINE-atom12 S-ADENOSYLMETHIONINAMINE-atom8" order="1"/> <bond id="S-ADENOSYLMETHIONINAMINE-bond23" atomRefs="S-ADENOSYLMETHIONINAMINE-atom4 S-ADENOSYLMETHIONINAMINE-atom5" order="1"/> <bond id="S-ADENOSYLMETHIONINAMINE-bond24" atomRefs="S-ADENOSYLMETHIONINAMINE-atom4 S-ADENOSYLMETHIONINAMINE-atom3" order="1"/> <bond id="S-ADENOSYLMETHIONINAMINE-bond25" atomRefs="S-ADENOSYLMETHIONINAMINE-atom2 S-ADENOSYLMETHIONINAMINE-atom3" order="1"/> <bond id="S-ADENOSYLMETHIONINAMINE-bond26" atomRefs="S-ADENOSYLMETHIONINAMINE-atom2 S-ADENOSYLMETHIONINAMINE-atom1" order="1"/> <formula concise="C 14 H 23 N 6 O 3 S 1" formalCharge="0"/> 355.434 C(N)CC[S+](C)CC1(OC(C(O)C(O)1)n2(c3(c(nc2)c(N)ncn3)))
(5-deoxy-5-adenosyl)(3-aminopropyl) methylsulfonium salt
S-methyl-S-adenosyl homocysteamine
<atom id="SPERMIDINE-atom1" elementType="C" x2="-1.0" y2="-0.66007"/> <atom id="SPERMIDINE-atom2" elementType="C" x2="-0.48515" y2="0.17822"/> <atom id="SPERMIDINE-atom3" elementType="N" x2="0.0099" y2="-0.73597"/> <atom id="SPERMIDINE-atom4" elementType="C" x2="0.9967" y2="-0.12541"/> <atom id="SPERMIDINE-atom5" elementType="C" x2="0.9967" y2="-0.66007"/> <atom id="SPERMIDINE-atom6" elementType="N" x2="0.49505" y2="0.16832"/> <atom id="SPERMIDINE-atom7" elementType="C" x2="-1.0" y2="-0.12541"/> <atom id="SPERMIDINE-atom8" elementType="C" x2="0.0099" y2="-0.12541"/> <atom id="SPERMIDINE-atom9" elementType="N" x2="-0.51485" y2="-0.9802"/> <atom id="SPERMIDINE-atom10" elementType="C" x2="0.48185" y2="-1.0"/> <bond id="SPERMIDINE-bond1" atomRefs="SPERMIDINE-atom10 SPERMIDINE-atom3" order="1"/> <bond id="SPERMIDINE-bond2" atomRefs="SPERMIDINE-atom9 SPERMIDINE-atom1" order="1"/> <bond id="SPERMIDINE-bond3" atomRefs="SPERMIDINE-atom8 SPERMIDINE-atom3" order="1"/> <bond id="SPERMIDINE-bond4" atomRefs="SPERMIDINE-atom7 SPERMIDINE-atom2" order="1"/> <bond id="SPERMIDINE-bond5" atomRefs="SPERMIDINE-atom6 SPERMIDINE-atom4" order="1"/> <bond id="SPERMIDINE-bond6" atomRefs="SPERMIDINE-atom5 SPERMIDINE-atom10" order="1"/> <bond id="SPERMIDINE-bond7" atomRefs="SPERMIDINE-atom4 SPERMIDINE-atom5" order="1"/> <bond id="SPERMIDINE-bond8" atomRefs="SPERMIDINE-atom2 SPERMIDINE-atom8" order="1"/> <bond id="SPERMIDINE-bond9" atomRefs="SPERMIDINE-atom1 SPERMIDINE-atom7" order="1"/> <formula concise="C 7 H 19 N 3" formalCharge="0"/> 145.247 C(N)CCCNCCCN
<atom id="5-METHYLTHIOADENOSINE-atom1" elementType="O" x2="4.6726" y2="4.5918"/> <atom id="5-METHYLTHIOADENOSINE-atom2" elementType="O" x2="3.043" y2="4.5947"/> <atom id="5-METHYLTHIOADENOSINE-atom3" elementType="O" x2="3.8365" y2="2.8321"/> <atom id="5-METHYLTHIOADENOSINE-atom4" elementType="S" x2="2.0627" y2="3.6426"/> <atom id="5-METHYLTHIOADENOSINE-atom5" elementType="C" x2="4.4574" y2="3.2781"/> <atom id="5-METHYLTHIOADENOSINE-atom6" elementType="C" x2="4.2316" y2="3.9832"/> <atom id="5-METHYLTHIOADENOSINE-atom7" elementType="C" x2="3.4742" y2="3.9832"/> <atom id="5-METHYLTHIOADENOSINE-atom8" elementType="C" x2="3.2291" y2="3.2671"/> <atom id="5-METHYLTHIOADENOSINE-atom9" elementType="C" x2="2.5169" y2="3.0404"/> <atom id="5-METHYLTHIOADENOSINE-atom10" elementType="N" x2="4.8949" y2="1.9417"/> <atom id="5-METHYLTHIOADENOSINE-atom11" elementType="C" x2="4.8949" y2="1.1916"/> <atom id="5-METHYLTHIOADENOSINE-atom12" elementType="N" x2="4.2454" y2="0.8125"/> <atom id="5-METHYLTHIOADENOSINE-atom13" elementType="C" x2="3.6" y2="1.1916"/> <atom id="5-METHYLTHIOADENOSINE-atom14" elementType="C" x2="2.9447" y2="0.8151"/> <atom id="5-METHYLTHIOADENOSINE-atom15" elementType="N" x2="2.2894" y2="1.1886"/> <atom id="5-METHYLTHIOADENOSINE-atom16" elementType="C" x2="2.2946" y2="1.9464"/> <atom id="5-METHYLTHIOADENOSINE-atom17" elementType="N" x2="2.9499" y2="2.323"/> <atom id="5-METHYLTHIOADENOSINE-atom18" elementType="C" x2="3.6" y2="1.9417"/> <atom id="5-METHYLTHIOADENOSINE-atom19" elementType="N" x2="2.946" y2="0.0651"/> <atom id="5-METHYLTHIOADENOSINE-atom20" elementType="C" x2="1.3333" y2="3.4458"/> <bond id="5-METHYLTHIOADENOSINE-bond1" atomRefs="5-METHYLTHIOADENOSINE-atom4 5-METHYLTHIOADENOSINE-atom20" order="1"/> <bond id="5-METHYLTHIOADENOSINE-bond2" atomRefs="5-METHYLTHIOADENOSINE-atom14 5-METHYLTHIOADENOSINE-atom19" order="1"/> <bond id="5-METHYLTHIOADENOSINE-bond3" atomRefs="5-METHYLTHIOADENOSINE-atom18 5-METHYLTHIOADENOSINE-atom17" order="A"/> <bond id="5-METHYLTHIOADENOSINE-bond4" atomRefs="5-METHYLTHIOADENOSINE-atom17 5-METHYLTHIOADENOSINE-atom16" order="A"/> <bond id="5-METHYLTHIOADENOSINE-bond5" atomRefs="5-METHYLTHIOADENOSINE-atom16 5-METHYLTHIOADENOSINE-atom15" order="A"/> <bond id="5-METHYLTHIOADENOSINE-bond6" atomRefs="5-METHYLTHIOADENOSINE-atom15 5-METHYLTHIOADENOSINE-atom14" order="A"/> <bond id="5-METHYLTHIOADENOSINE-bond7" atomRefs="5-METHYLTHIOADENOSINE-atom14 5-METHYLTHIOADENOSINE-atom13" order="A"/> <bond id="5-METHYLTHIOADENOSINE-bond8" atomRefs="5-METHYLTHIOADENOSINE-atom13 5-METHYLTHIOADENOSINE-atom18" order="A"/> <bond id="5-METHYLTHIOADENOSINE-bond9" atomRefs="5-METHYLTHIOADENOSINE-atom10 5-METHYLTHIOADENOSINE-atom18" order="A"/> <bond id="5-METHYLTHIOADENOSINE-bond10" atomRefs="5-METHYLTHIOADENOSINE-atom13 5-METHYLTHIOADENOSINE-atom12" order="A"/> <bond id="5-METHYLTHIOADENOSINE-bond11" atomRefs="5-METHYLTHIOADENOSINE-atom12 5-METHYLTHIOADENOSINE-atom11" order="A"/> <bond id="5-METHYLTHIOADENOSINE-bond12" atomRefs="5-METHYLTHIOADENOSINE-atom11 5-METHYLTHIOADENOSINE-atom10" order="A"/> <bond id="5-METHYLTHIOADENOSINE-bond13" atomRefs="5-METHYLTHIOADENOSINE-atom5 5-METHYLTHIOADENOSINE-atom10" order="1"/> <bond id="5-METHYLTHIOADENOSINE-bond14" atomRefs="5-METHYLTHIOADENOSINE-atom6 5-METHYLTHIOADENOSINE-atom1" order="1"/> <bond id="5-METHYLTHIOADENOSINE-bond15" atomRefs="5-METHYLTHIOADENOSINE-atom7 5-METHYLTHIOADENOSINE-atom2" order="1"/> <bond id="5-METHYLTHIOADENOSINE-bond16" atomRefs="5-METHYLTHIOADENOSINE-atom9 5-METHYLTHIOADENOSINE-atom4" order="1"/> <bond id="5-METHYLTHIOADENOSINE-bond17" atomRefs="5-METHYLTHIOADENOSINE-atom8 5-METHYLTHIOADENOSINE-atom9" order="1"/> <bond id="5-METHYLTHIOADENOSINE-bond18" atomRefs="5-METHYLTHIOADENOSINE-atom5 5-METHYLTHIOADENOSINE-atom6" order="1"/> <bond id="5-METHYLTHIOADENOSINE-bond19" atomRefs="5-METHYLTHIOADENOSINE-atom7 5-METHYLTHIOADENOSINE-atom6" order="1"/> <bond id="5-METHYLTHIOADENOSINE-bond20" atomRefs="5-METHYLTHIOADENOSINE-atom3 5-METHYLTHIOADENOSINE-atom5" order="1"/> <bond id="5-METHYLTHIOADENOSINE-bond21" atomRefs="5-METHYLTHIOADENOSINE-atom8 5-METHYLTHIOADENOSINE-atom7" order="1"/> <bond id="5-METHYLTHIOADENOSINE-bond22" atomRefs="5-METHYLTHIOADENOSINE-atom8 5-METHYLTHIOADENOSINE-atom3" order="1"/> <formula concise="C 11 H 15 N 5 O 3 S 1" formalCharge="0"/> 297.331 C1(OC(CSC)C(O)C(O)1)n2(c3(c(nc2)c(N)ncn3))
<atom id="3-SULFINOALANINE-atom1" elementType="N" x2="1.151" y2="0.1753"/> <atom id="3-SULFINOALANINE-atom2" elementType="C" x2="1.8407" y2="-0.0841"/> <atom id="3-SULFINOALANINE-atom3" elementType="C" x2="1.8268" y2="-0.8437"/> <atom id="3-SULFINOALANINE-atom4" elementType="O" x2="2.53" y2="-1.0998"/> <atom id="3-SULFINOALANINE-atom5" elementType="C" x2="2.4566" y2="0.3628"/> <atom id="3-SULFINOALANINE-atom6" elementType="O" x2="1.2085" y2="-1.2683"/> <atom id="3-SULFINOALANINE-atom7" elementType="S" x2="3.1416" y2="0.0572"/> <atom id="3-SULFINOALANINE-atom8" elementType="O" x2="3.7487" y2="0.4977"/> <atom id="3-SULFINOALANINE-atom9" elementType="O" x2="3.1236" y2="-0.7262"/> <bond id="3-SULFINOALANINE-bond1" atomRefs="3-SULFINOALANINE-atom7 3-SULFINOALANINE-atom9" order="2"/> <bond id="3-SULFINOALANINE-bond2" atomRefs="3-SULFINOALANINE-atom7 3-SULFINOALANINE-atom8" order="1"/> <bond id="3-SULFINOALANINE-bond3" atomRefs="3-SULFINOALANINE-atom5 3-SULFINOALANINE-atom7" order="1"/> <bond id="3-SULFINOALANINE-bond4" atomRefs="3-SULFINOALANINE-atom3 3-SULFINOALANINE-atom6" order="1"/> <bond id="3-SULFINOALANINE-bond5" atomRefs="3-SULFINOALANINE-atom2 3-SULFINOALANINE-atom5" order="1"/> <bond id="3-SULFINOALANINE-bond6" atomRefs="3-SULFINOALANINE-atom3 3-SULFINOALANINE-atom4" order="2"/> <bond id="3-SULFINOALANINE-bond7" atomRefs="3-SULFINOALANINE-atom2 3-SULFINOALANINE-atom3" order="1"/> <bond id="3-SULFINOALANINE-bond8" atomRefs="3-SULFINOALANINE-atom2 3-SULFINOALANINE-atom1" order="1"/> <formula concise="C 3 H 7 N 1 O 4 S 1" formalCharge="0"/> 153.153 C(=O)(O)C(N)CS(=O)O
<atom id="3-SULFINYL-PYRUVATE-atom1" elementType="S" x2="0.62092" y2="-0.53268"/> <atom id="3-SULFINYL-PYRUVATE-atom2" elementType="O" x2="-0.59477" y2="-0.77778"/> <atom id="3-SULFINYL-PYRUVATE-atom3" elementType="O" x2="-0.18954" y2="-1.0"/> <atom id="3-SULFINYL-PYRUVATE-atom4" elementType="O" x2="0.62092" y2="-1.0"/> <atom id="3-SULFINYL-PYRUVATE-atom5" elementType="C" x2="0.21569" y2="-0.30065"/> <atom id="3-SULFINYL-PYRUVATE-atom6" elementType="O" x2="0.99673" y2="-0.25163"/> <atom id="3-SULFINYL-PYRUVATE-atom7" elementType="O" x2="-1.0" y2="-0.53922"/> <atom id="3-SULFINYL-PYRUVATE-atom8" elementType="C" x2="-0.18954" y2="-0.53268"/> <atom id="3-SULFINYL-PYRUVATE-atom9" elementType="C" x2="-0.59477" y2="-0.31046"/> <bond id="3-SULFINYL-PYRUVATE-bond1" atomRefs="3-SULFINYL-PYRUVATE-atom9 3-SULFINYL-PYRUVATE-atom8" order="1"/> <bond id="3-SULFINYL-PYRUVATE-bond2" atomRefs="3-SULFINYL-PYRUVATE-atom7 3-SULFINYL-PYRUVATE-atom9" order="1"/> <bond id="3-SULFINYL-PYRUVATE-bond3" atomRefs="3-SULFINYL-PYRUVATE-atom5 3-SULFINYL-PYRUVATE-atom8" order="1"/> <bond id="3-SULFINYL-PYRUVATE-bond4" atomRefs="3-SULFINYL-PYRUVATE-atom4 3-SULFINYL-PYRUVATE-atom1" order="2"/> <bond id="3-SULFINYL-PYRUVATE-bond5" atomRefs="3-SULFINYL-PYRUVATE-atom3 3-SULFINYL-PYRUVATE-atom8" order="2"/> <bond id="3-SULFINYL-PYRUVATE-bond6" atomRefs="3-SULFINYL-PYRUVATE-atom2 3-SULFINYL-PYRUVATE-atom9" order="2"/> <bond id="3-SULFINYL-PYRUVATE-bond7" atomRefs="3-SULFINYL-PYRUVATE-atom1 3-SULFINYL-PYRUVATE-atom5" order="1"/> <bond id="3-SULFINYL-PYRUVATE-bond8" atomRefs="3-SULFINYL-PYRUVATE-atom1 3-SULFINYL-PYRUVATE-atom6" order="1"/> <formula concise="C 3 H 4 O 5 S 1" formalCharge="0"/> 152.122 C(S(=O)O)C(=O)C(O)=O
<atom id="N-ALPHA-ACETYLORNITHINE-atom1" elementType="C" x2="2.4657" y2="-6.2328"/> <atom id="N-ALPHA-ACETYLORNITHINE-atom2" elementType="N" x2="7.4224" y2="-2.0694"/> <atom id="N-ALPHA-ACETYLORNITHINE-atom3" elementType="O" x2="3.8288" y2="-4.8452"/> <atom id="N-ALPHA-ACETYLORNITHINE-atom4" elementType="O" x2="1.2145" y2="0.0"/> <atom id="N-ALPHA-ACETYLORNITHINE-atom5" elementType="O" x2="0.0" y2="-2.0694"/> <atom id="N-ALPHA-ACETYLORNITHINE-atom6" elementType="C" x2="6.2079" y2="-1.3881"/> <atom id="N-ALPHA-ACETYLORNITHINE-atom7" elementType="C" x2="4.9563" y2="-2.0817"/> <atom id="N-ALPHA-ACETYLORNITHINE-atom8" elementType="C" x2="3.7051" y2="-1.3881"/> <atom id="N-ALPHA-ACETYLORNITHINE-atom9" elementType="N" x2="2.4657" y2="-3.6058"/> <atom id="N-ALPHA-ACETYLORNITHINE-atom10" elementType="C" x2="2.4657" y2="-4.8452"/> <atom id="N-ALPHA-ACETYLORNITHINE-atom11" elementType="C" x2="1.2145" y2="-1.3881"/> <atom id="N-ALPHA-ACETYLORNITHINE-atom12" elementType="C" x2="2.4657" y2="-2.0817"/> <bond id="N-ALPHA-ACETYLORNITHINE-bond1" atomRefs="N-ALPHA-ACETYLORNITHINE-atom11 N-ALPHA-ACETYLORNITHINE-atom12" order="1"/> <bond id="N-ALPHA-ACETYLORNITHINE-bond2" atomRefs="N-ALPHA-ACETYLORNITHINE-atom9 N-ALPHA-ACETYLORNITHINE-atom12" order="1"/> <bond id="N-ALPHA-ACETYLORNITHINE-bond3" atomRefs="N-ALPHA-ACETYLORNITHINE-atom9 N-ALPHA-ACETYLORNITHINE-atom10" order="1"/> <bond id="N-ALPHA-ACETYLORNITHINE-bond4" atomRefs="N-ALPHA-ACETYLORNITHINE-atom12 N-ALPHA-ACETYLORNITHINE-atom8" order="1"/> <bond id="N-ALPHA-ACETYLORNITHINE-bond5" atomRefs="N-ALPHA-ACETYLORNITHINE-atom7 N-ALPHA-ACETYLORNITHINE-atom8" order="1"/> <bond id="N-ALPHA-ACETYLORNITHINE-bond6" atomRefs="N-ALPHA-ACETYLORNITHINE-atom6 N-ALPHA-ACETYLORNITHINE-atom7" order="1"/> <bond id="N-ALPHA-ACETYLORNITHINE-bond7" atomRefs="N-ALPHA-ACETYLORNITHINE-atom5 N-ALPHA-ACETYLORNITHINE-atom11" order="1"/> <bond id="N-ALPHA-ACETYLORNITHINE-bond8" atomRefs="N-ALPHA-ACETYLORNITHINE-atom4 N-ALPHA-ACETYLORNITHINE-atom11" order="2"/> <bond id="N-ALPHA-ACETYLORNITHINE-bond9" atomRefs="N-ALPHA-ACETYLORNITHINE-atom3 N-ALPHA-ACETYLORNITHINE-atom10" order="2"/> <bond id="N-ALPHA-ACETYLORNITHINE-bond10" atomRefs="N-ALPHA-ACETYLORNITHINE-atom2 N-ALPHA-ACETYLORNITHINE-atom6" order="1"/> <bond id="N-ALPHA-ACETYLORNITHINE-bond11" atomRefs="N-ALPHA-ACETYLORNITHINE-atom1 N-ALPHA-ACETYLORNITHINE-atom10" order="1"/> <formula concise="C 7 H 14 N 2 O 3" formalCharge="0"/> 174.199 CC(=O)NC(C(O)=O)CCCN
<atom id="N-ACETYLGLUTAMATE_SEMIALDEHYDE-atom1" elementType="O" x2="-1.0" y2="0.07667"/> <atom id="N-ACETYLGLUTAMATE_SEMIALDEHYDE-atom2" elementType="C" x2="0.99674" y2="0.31485"/> <atom id="N-ACETYLGLUTAMATE_SEMIALDEHYDE-atom3" elementType="C" x2="-0.57586" y2="0.31485"/> <atom id="N-ACETYLGLUTAMATE_SEMIALDEHYDE-atom4" elementType="O" x2="0.28874" y2="-0.61827"/> <atom id="N-ACETYLGLUTAMATE_SEMIALDEHYDE-atom5" elementType="C" x2="-0.18108" y2="0.09299"/> <atom id="N-ACETYLGLUTAMATE_SEMIALDEHYDE-atom6" elementType="N" x2="-0.55954" y2="-0.28548"/> <atom id="N-ACETYLGLUTAMATE_SEMIALDEHYDE-atom7" elementType="C" x2="-0.49755" y2="-1.0"/> <atom id="N-ACETYLGLUTAMATE_SEMIALDEHYDE-atom8" elementType="O" x2="0.99674" y2="0.80098"/> <atom id="N-ACETYLGLUTAMATE_SEMIALDEHYDE-atom9" elementType="C" x2="-0.19739" y2="-0.61827"/> <atom id="N-ACETYLGLUTAMATE_SEMIALDEHYDE-atom10" elementType="C" x2="0.60196" y2="0.09299"/> <atom id="N-ACETYLGLUTAMATE_SEMIALDEHYDE-atom11" elementType="C" x2="0.21044" y2="0.31485"/> <atom id="N-ACETYLGLUTAMATE_SEMIALDEHYDE-atom12" elementType="O" x2="-0.57586" y2="0.80098"/> <bond id="N-ACETYLGLUTAMATE_SEMIALDEHYDE-bond1" atomRefs="N-ACETYLGLUTAMATE_SEMIALDEHYDE-atom12 N-ACETYLGLUTAMATE_SEMIALDEHYDE-atom3" order="2"/> <bond id="N-ACETYLGLUTAMATE_SEMIALDEHYDE-bond2" atomRefs="N-ACETYLGLUTAMATE_SEMIALDEHYDE-atom11 N-ACETYLGLUTAMATE_SEMIALDEHYDE-atom5" order="1"/> <bond id="N-ACETYLGLUTAMATE_SEMIALDEHYDE-bond3" atomRefs="N-ACETYLGLUTAMATE_SEMIALDEHYDE-atom10 N-ACETYLGLUTAMATE_SEMIALDEHYDE-atom11" order="1"/> <bond id="N-ACETYLGLUTAMATE_SEMIALDEHYDE-bond4" atomRefs="N-ACETYLGLUTAMATE_SEMIALDEHYDE-atom9 N-ACETYLGLUTAMATE_SEMIALDEHYDE-atom6" order="1"/> <bond id="N-ACETYLGLUTAMATE_SEMIALDEHYDE-bond5" atomRefs="N-ACETYLGLUTAMATE_SEMIALDEHYDE-atom8 N-ACETYLGLUTAMATE_SEMIALDEHYDE-atom2" order="2"/> <bond id="N-ACETYLGLUTAMATE_SEMIALDEHYDE-bond6" atomRefs="N-ACETYLGLUTAMATE_SEMIALDEHYDE-atom7 N-ACETYLGLUTAMATE_SEMIALDEHYDE-atom9" order="1"/> <bond id="N-ACETYLGLUTAMATE_SEMIALDEHYDE-bond7" atomRefs="N-ACETYLGLUTAMATE_SEMIALDEHYDE-atom6 N-ACETYLGLUTAMATE_SEMIALDEHYDE-atom5" order="1"/> <bond id="N-ACETYLGLUTAMATE_SEMIALDEHYDE-bond8" atomRefs="N-ACETYLGLUTAMATE_SEMIALDEHYDE-atom5 N-ACETYLGLUTAMATE_SEMIALDEHYDE-atom3" order="1"/> <bond id="N-ACETYLGLUTAMATE_SEMIALDEHYDE-bond9" atomRefs="N-ACETYLGLUTAMATE_SEMIALDEHYDE-atom4 N-ACETYLGLUTAMATE_SEMIALDEHYDE-atom9" order="2"/> <bond id="N-ACETYLGLUTAMATE_SEMIALDEHYDE-bond10" atomRefs="N-ACETYLGLUTAMATE_SEMIALDEHYDE-atom2 N-ACETYLGLUTAMATE_SEMIALDEHYDE-atom10" order="1"/> <bond id="N-ACETYLGLUTAMATE_SEMIALDEHYDE-bond11" atomRefs="N-ACETYLGLUTAMATE_SEMIALDEHYDE-atom1 N-ACETYLGLUTAMATE_SEMIALDEHYDE-atom3" order="1"/> <formula concise="C 7 H 11 N 1 O 4" formalCharge="0"/> 173.168 C(=O)CCC(C(=O)O)NC(C)=O
N-acetyl-L-glutamate semialdehyde
N-acetylglutamate γ-semialdehyde
<atom id="TYR-atom1" elementType="C" x2="-0.3047" y2="-2.0433"/> <atom id="TYR-atom2" elementType="O" x2="1.9164" y2="-0.2538"/> <atom id="TYR-atom3" elementType="C" x2="-1.7261" y2="-1.2311"/> <atom id="TYR-atom4" elementType="N" x2="1.1169" y2="-1.7641"/> <atom id="TYR-atom5" elementType="C" x2="1.1169" y2="-1.2183"/> <atom id="TYR-atom6" elementType="C" x2="0.4061" y2="-0.7995"/> <atom id="TYR-atom7" elementType="C" x2="-0.3047" y2="-1.2183"/> <atom id="TYR-atom8" elementType="C" x2="-1.7261" y2="-2.0306"/> <atom id="TYR-atom9" elementType="C" x2="-1.0153" y2="-0.8122"/> <atom id="TYR-atom10" elementType="C" x2="-1.0153" y2="-2.4494"/> <atom id="TYR-atom11" elementType="O" x2="2.4367" y2="-1.2183"/> <atom id="TYR-atom12" elementType="O" x2="-2.4494" y2="-2.4114"/> <atom id="TYR-atom13" elementType="C" x2="1.9164" y2="-0.736"/> <bond id="TYR-bond1" atomRefs="TYR-atom1 TYR-atom10" order="A"/> <bond id="TYR-bond2" atomRefs="TYR-atom3 TYR-atom9" order="A"/> <bond id="TYR-bond3" atomRefs="TYR-atom5 TYR-atom13" order="1"/> <bond id="TYR-bond4" atomRefs="TYR-atom5 TYR-atom4" order="1"/> <bond id="TYR-bond5" atomRefs="TYR-atom6 TYR-atom5" order="1"/> <bond id="TYR-bond6" atomRefs="TYR-atom7 TYR-atom6" order="1"/> <bond id="TYR-bond7" atomRefs="TYR-atom7 TYR-atom1" order="A"/> <bond id="TYR-bond8" atomRefs="TYR-atom8 TYR-atom3" order="A"/> <bond id="TYR-bond9" atomRefs="TYR-atom9 TYR-atom7" order="A"/> <bond id="TYR-bond10" atomRefs="TYR-atom10 TYR-atom8" order="A"/> <bond id="TYR-bond11" atomRefs="TYR-atom12 TYR-atom8" order="1"/> <bond id="TYR-bond12" atomRefs="TYR-atom13 TYR-atom2" order="2"/> <bond id="TYR-bond13" atomRefs="TYR-atom13 TYR-atom11" order="1"/> <formula concise="C 9 H 11 N 1 O 3" formalCharge="0"/> 181.191 C(O)(=O)C(N)Cc1(ccc(O)cc1)
<atom id="P-HYDROXY-PHENYLPYRUVATE-atom1" elementType="C" x2="-0.70481" y2="-0.75788"/> <atom id="P-HYDROXY-PHENYLPYRUVATE-atom2" elementType="C" x2="-0.28358" y2="-0.51575"/> <atom id="P-HYDROXY-PHENYLPYRUVATE-atom3" elementType="O" x2="-1.0" y2="-0.75788"/> <atom id="P-HYDROXY-PHENYLPYRUVATE-atom4" elementType="C" x2="0.72471" y2="-0.54229"/> <atom id="P-HYDROXY-PHENYLPYRUVATE-atom5" elementType="C" x2="-0.14096" y2="-0.75788"/> <atom id="P-HYDROXY-PHENYLPYRUVATE-atom6" elementType="O" x2="0.72471" y2="-0.2471"/> <atom id="P-HYDROXY-PHENYLPYRUVATE-atom7" elementType="C" x2="0.41294" y2="-0.69818"/> <atom id="P-HYDROXY-PHENYLPYRUVATE-atom8" elementType="C" x2="-0.28358" y2="-1.0"/> <atom id="P-HYDROXY-PHENYLPYRUVATE-atom9" elementType="O" x2="0.99668" y2="-0.66169"/> <atom id="P-HYDROXY-PHENYLPYRUVATE-atom10" elementType="C" x2="0.08126" y2="-0.56551"/> <atom id="P-HYDROXY-PHENYLPYRUVATE-atom11" elementType="C" x2="-0.56219" y2="-1.0"/> <atom id="P-HYDROXY-PHENYLPYRUVATE-atom12" elementType="C" x2="-0.56219" y2="-0.51575"/> <atom id="P-HYDROXY-PHENYLPYRUVATE-atom13" elementType="O" x2="0.41294" y2="-0.40299"/> <bond id="P-HYDROXY-PHENYLPYRUVATE-bond1" atomRefs="P-HYDROXY-PHENYLPYRUVATE-atom13 P-HYDROXY-PHENYLPYRUVATE-atom7" order="2"/> <bond id="P-HYDROXY-PHENYLPYRUVATE-bond2" atomRefs="P-HYDROXY-PHENYLPYRUVATE-atom12 P-HYDROXY-PHENYLPYRUVATE-atom2" order="A"/> <bond id="P-HYDROXY-PHENYLPYRUVATE-bond3" atomRefs="P-HYDROXY-PHENYLPYRUVATE-atom8 P-HYDROXY-PHENYLPYRUVATE-atom11" order="A"/> <bond id="P-HYDROXY-PHENYLPYRUVATE-bond4" atomRefs="P-HYDROXY-PHENYLPYRUVATE-atom10 P-HYDROXY-PHENYLPYRUVATE-atom7" order="1"/> <bond id="P-HYDROXY-PHENYLPYRUVATE-bond5" atomRefs="P-HYDROXY-PHENYLPYRUVATE-atom9 P-HYDROXY-PHENYLPYRUVATE-atom4" order="1"/> <bond id="P-HYDROXY-PHENYLPYRUVATE-bond6" atomRefs="P-HYDROXY-PHENYLPYRUVATE-atom5 P-HYDROXY-PHENYLPYRUVATE-atom8" order="A"/> <bond id="P-HYDROXY-PHENYLPYRUVATE-bond7" atomRefs="P-HYDROXY-PHENYLPYRUVATE-atom7 P-HYDROXY-PHENYLPYRUVATE-atom4" order="1"/> <bond id="P-HYDROXY-PHENYLPYRUVATE-bond8" atomRefs="P-HYDROXY-PHENYLPYRUVATE-atom6 P-HYDROXY-PHENYLPYRUVATE-atom4" order="2"/> <bond id="P-HYDROXY-PHENYLPYRUVATE-bond9" atomRefs="P-HYDROXY-PHENYLPYRUVATE-atom5 P-HYDROXY-PHENYLPYRUVATE-atom10" order="1"/> <bond id="P-HYDROXY-PHENYLPYRUVATE-bond10" atomRefs="P-HYDROXY-PHENYLPYRUVATE-atom3 P-HYDROXY-PHENYLPYRUVATE-atom1" order="1"/> <bond id="P-HYDROXY-PHENYLPYRUVATE-bond11" atomRefs="P-HYDROXY-PHENYLPYRUVATE-atom2 P-HYDROXY-PHENYLPYRUVATE-atom5" order="A"/> <bond id="P-HYDROXY-PHENYLPYRUVATE-bond12" atomRefs="P-HYDROXY-PHENYLPYRUVATE-atom1 P-HYDROXY-PHENYLPYRUVATE-atom12" order="A"/> <bond id="P-HYDROXY-PHENYLPYRUVATE-bond13" atomRefs="P-HYDROXY-PHENYLPYRUVATE-atom11 P-HYDROXY-PHENYLPYRUVATE-atom1" order="A"/> <formula concise="C 9 H 8 O 4" formalCharge="0"/> 180.16 C(=O)(O)C(=O)Cc1(ccc(O)cc1)
Diphosphate--fructose-6-phosphate 1-phosphotransferase
<atom id="FRUCTOSE-16-DIPHOSPHATE-atom1" elementType="O" x2="1.4089" y2="-2.9043"/> <atom id="FRUCTOSE-16-DIPHOSPHATE-atom2" elementType="O" x2="10.2533" y2="-4.9856"/> <atom id="FRUCTOSE-16-DIPHOSPHATE-atom3" elementType="O" x2="4.0316" y2="0.0"/> <atom id="FRUCTOSE-16-DIPHOSPHATE-atom4" elementType="O" x2="7.0774" y2="0.0"/> <atom id="FRUCTOSE-16-DIPHOSPHATE-atom5" elementType="O" x2="8.0186" y2="-2.8967"/> <atom id="FRUCTOSE-16-DIPHOSPHATE-atom6" elementType="O" x2="1.438" y2="-5.7038"/> <atom id="FRUCTOSE-16-DIPHOSPHATE-atom7" elementType="O" x2="0.0" y2="-4.2847"/> <atom id="FRUCTOSE-16-DIPHOSPHATE-atom8" elementType="O" x2="7.5903" y2="-5.8508"/> <atom id="FRUCTOSE-16-DIPHOSPHATE-atom9" elementType="O" x2="9.287" y2="-6.7697"/> <atom id="FRUCTOSE-16-DIPHOSPHATE-atom10" elementType="C" x2="3.0904" y2="-2.8967"/> <atom id="FRUCTOSE-16-DIPHOSPHATE-atom11" elementType="C" x2="7.1198" y2="-3.7956"/> <atom id="FRUCTOSE-16-DIPHOSPHATE-atom12" elementType="O" x2="2.7993" y2="-4.2661"/> <atom id="FRUCTOSE-16-DIPHOSPHATE-atom13" elementType="O" x2="8.4892" y2="-4.0867"/> <atom id="FRUCTOSE-16-DIPHOSPHATE-atom14" elementType="O" x2="5.5545" y2="-3.287"/> <atom id="FRUCTOSE-16-DIPHOSPHATE-atom15" elementType="C" x2="4.8545" y2="-1.1326"/> <atom id="FRUCTOSE-16-DIPHOSPHATE-atom16" elementType="C" x2="4.4219" y2="-2.4641"/> <atom id="FRUCTOSE-16-DIPHOSPHATE-atom17" elementType="C" x2="6.2545" y2="-1.1326"/> <atom id="FRUCTOSE-16-DIPHOSPHATE-atom18" elementType="C" x2="6.6871" y2="-2.4641"/> <atom id="FRUCTOSE-16-DIPHOSPHATE-atom19" elementType="P" x2="1.3999" y2="-4.3043"/> <atom id="FRUCTOSE-16-DIPHOSPHATE-atom20" elementType="P" x2="8.9218" y2="-5.4182"/> <bond id="FRUCTOSE-16-DIPHOSPHATE-bond1" atomRefs="FRUCTOSE-16-DIPHOSPHATE-atom17 FRUCTOSE-16-DIPHOSPHATE-atom18" order="1"/> <bond id="FRUCTOSE-16-DIPHOSPHATE-bond2" atomRefs="FRUCTOSE-16-DIPHOSPHATE-atom15 FRUCTOSE-16-DIPHOSPHATE-atom17" order="1"/> <bond id="FRUCTOSE-16-DIPHOSPHATE-bond3" atomRefs="FRUCTOSE-16-DIPHOSPHATE-atom15 FRUCTOSE-16-DIPHOSPHATE-atom16" order="1"/> <bond id="FRUCTOSE-16-DIPHOSPHATE-bond4" atomRefs="FRUCTOSE-16-DIPHOSPHATE-atom14 FRUCTOSE-16-DIPHOSPHATE-atom18" order="1"/> <bond id="FRUCTOSE-16-DIPHOSPHATE-bond5" atomRefs="FRUCTOSE-16-DIPHOSPHATE-atom14 FRUCTOSE-16-DIPHOSPHATE-atom16" order="1"/> <bond id="FRUCTOSE-16-DIPHOSPHATE-bond6" atomRefs="FRUCTOSE-16-DIPHOSPHATE-atom13 FRUCTOSE-16-DIPHOSPHATE-atom20" order="1"/> <bond id="FRUCTOSE-16-DIPHOSPHATE-bond7" atomRefs="FRUCTOSE-16-DIPHOSPHATE-atom12 FRUCTOSE-16-DIPHOSPHATE-atom19" order="1"/> <bond id="FRUCTOSE-16-DIPHOSPHATE-bond8" atomRefs="FRUCTOSE-16-DIPHOSPHATE-atom18 FRUCTOSE-16-DIPHOSPHATE-atom11" order="1"/> <bond id="FRUCTOSE-16-DIPHOSPHATE-bond9" atomRefs="FRUCTOSE-16-DIPHOSPHATE-atom11 FRUCTOSE-16-DIPHOSPHATE-atom13" order="1"/> <bond id="FRUCTOSE-16-DIPHOSPHATE-bond10" atomRefs="FRUCTOSE-16-DIPHOSPHATE-atom16 FRUCTOSE-16-DIPHOSPHATE-atom10" order="1"/> <bond id="FRUCTOSE-16-DIPHOSPHATE-bond11" atomRefs="FRUCTOSE-16-DIPHOSPHATE-atom10 FRUCTOSE-16-DIPHOSPHATE-atom12" order="1"/> <bond id="FRUCTOSE-16-DIPHOSPHATE-bond12" atomRefs="FRUCTOSE-16-DIPHOSPHATE-atom9 FRUCTOSE-16-DIPHOSPHATE-atom20" order="1"/> <bond id="FRUCTOSE-16-DIPHOSPHATE-bond13" atomRefs="FRUCTOSE-16-DIPHOSPHATE-atom8 FRUCTOSE-16-DIPHOSPHATE-atom20" order="1"/> <bond id="FRUCTOSE-16-DIPHOSPHATE-bond14" atomRefs="FRUCTOSE-16-DIPHOSPHATE-atom7 FRUCTOSE-16-DIPHOSPHATE-atom19" order="1"/> <bond id="FRUCTOSE-16-DIPHOSPHATE-bond15" atomRefs="FRUCTOSE-16-DIPHOSPHATE-atom6 FRUCTOSE-16-DIPHOSPHATE-atom19" order="1"/> <bond id="FRUCTOSE-16-DIPHOSPHATE-bond16" atomRefs="FRUCTOSE-16-DIPHOSPHATE-atom18 FRUCTOSE-16-DIPHOSPHATE-atom5" order="1"/> <bond id="FRUCTOSE-16-DIPHOSPHATE-bond17" atomRefs="FRUCTOSE-16-DIPHOSPHATE-atom17 FRUCTOSE-16-DIPHOSPHATE-atom4" order="1"/> <bond id="FRUCTOSE-16-DIPHOSPHATE-bond18" atomRefs="FRUCTOSE-16-DIPHOSPHATE-atom15 FRUCTOSE-16-DIPHOSPHATE-atom3" order="1"/> <bond id="FRUCTOSE-16-DIPHOSPHATE-bond19" atomRefs="FRUCTOSE-16-DIPHOSPHATE-atom2 FRUCTOSE-16-DIPHOSPHATE-atom20" order="2"/> <bond id="FRUCTOSE-16-DIPHOSPHATE-bond20" atomRefs="FRUCTOSE-16-DIPHOSPHATE-atom1 FRUCTOSE-16-DIPHOSPHATE-atom19" order="2"/> <formula concise="C 6 H 14 O 12 P 2" formalCharge="0"/> 340.117 C(OP(O)(O)=O)C1(OC(O)(C(O)C1O)COP(O)(O)=O) D-Fructose 1,6-bis(dihydrogenphosphate)
Diphosphate-dependent 6-phosphofructose-1-kinase
Pyrophosphate-dependent 6-phosphofructose-1-kinase
Pyrophosphate--fructose-6-phosphate 1-phosphotransferase
PYROPHOSPHATE-FRUCTOSE-6-PHOSPHATE 1-PHOSPHOTRANSFERASE
<atom id="FRU-atom1" elementType="O" x2="0.0" y2="-4.2661"/> <atom id="FRU-atom2" elementType="O" x2="5.6898" y2="-4.0867"/> <atom id="FRU-atom3" elementType="O" x2="1.2323" y2="0.0"/> <atom id="FRU-atom4" elementType="O" x2="4.2781" y2="0.0"/> <atom id="FRU-atom5" elementType="O" x2="5.2193" y2="-2.8967"/> <atom id="FRU-atom6" elementType="C" x2="0.2911" y2="-2.8967"/> <atom id="FRU-atom7" elementType="C" x2="4.3204" y2="-3.7956"/> <atom id="FRU-atom8" elementType="O" x2="2.7552" y2="-3.287"/> <atom id="FRU-atom9" elementType="C" x2="2.0552" y2="-1.1326"/> <atom id="FRU-atom10" elementType="C" x2="1.6226" y2="-2.4641"/> <atom id="FRU-atom11" elementType="C" x2="3.4552" y2="-1.1326"/> <atom id="FRU-atom12" elementType="C" x2="3.8878" y2="-2.4641"/> <bond id="FRU-bond1" atomRefs="FRU-atom11 FRU-atom12" order="1"/> <bond id="FRU-bond2" atomRefs="FRU-atom9 FRU-atom11" order="1"/> <bond id="FRU-bond3" atomRefs="FRU-atom9 FRU-atom10" order="1"/> <bond id="FRU-bond4" atomRefs="FRU-atom8 FRU-atom12" order="1"/> <bond id="FRU-bond5" atomRefs="FRU-atom8 FRU-atom10" order="1"/> <bond id="FRU-bond6" atomRefs="FRU-atom7 FRU-atom12" order="1"/> <bond id="FRU-bond7" atomRefs="FRU-atom10 FRU-atom6" order="1"/> <bond id="FRU-bond8" atomRefs="FRU-atom5 FRU-atom12" order="1"/> <bond id="FRU-bond9" atomRefs="FRU-atom11 FRU-atom4" order="1"/> <bond id="FRU-bond10" atomRefs="FRU-atom9 FRU-atom3" order="1"/> <bond id="FRU-bond11" atomRefs="FRU-atom2 FRU-atom7" order="1"/> <bond id="FRU-bond12" atomRefs="FRU-atom1 FRU-atom6" order="1"/> <formula concise="C 6 H 12 O 6" formalCharge="0"/> 180.157 C(O)C1(C(O)C(O)C(O)(O1)CO)
<atom id="ATP-atom1" elementType="O" x2="5.313" y2="-3.3049"/> <atom id="ATP-atom2" elementType="O" x2="7.2891" y2="-1.3253"/> <atom id="ATP-atom3" elementType="O" x2="5.3105" y2="-1.6639"/> <atom id="ATP-atom4" elementType="C" x2="9.9778" y2="-4.7867"/> <atom id="ATP-atom5" elementType="C" x2="6.7454" y2="-3.0291"/> <atom id="ATP-atom6" elementType="N" x2="9.4969" y2="-5.4609"/> <atom id="ATP-atom7" elementType="N" x2="7.9875" y2="-3.9567"/> <atom id="ATP-atom8" elementType="O" x2="6.1335" y2="-2.4826"/> <atom id="ATP-atom9" elementType="O" x2="8.1839" y2="-3.2502"/> <atom id="ATP-atom10" elementType="C" x2="7.2769" y2="-4.3761"/> <atom id="ATP-atom11" elementType="C" x2="7.9875" y2="-5.6161"/> <atom id="ATP-atom12" elementType="C" x2="8.7072" y2="-5.2058"/> <atom id="ATP-atom13" elementType="C" x2="8.7072" y2="-4.3761"/> <atom id="ATP-atom14" elementType="C" x2="7.5247" y2="-2.7725"/> <atom id="ATP-atom15" elementType="C" x2="7.7737" y2="-1.9874"/> <atom id="ATP-atom16" elementType="C" x2="8.5987" y2="-1.9874"/> <atom id="ATP-atom17" elementType="C" x2="8.8524" y2="-2.7725"/> <atom id="ATP-atom18" elementType="N" x2="7.2769" y2="-5.2058"/> <atom id="ATP-atom19" elementType="N" x2="9.4949" y2="-4.1282"/> <atom id="ATP-atom20" elementType="P" x2="5.3121" y2="-2.4844"/> <atom id="ATP-atom21" elementType="N" x2="7.9852" y2="-6.4411"/> <atom id="ATP-atom22" elementType="O" x2="9.0842" y2="-1.3204"/> <atom id="ATP-atom23" elementType="O" x2="4.4916" y2="-2.4844"/> <atom id="ATP-atom24" elementType="O" x2="3.6666" y2="-3.3112"/> <atom id="ATP-atom25" elementType="O" x2="3.6641" y2="-1.6612"/> <atom id="ATP-atom26" elementType="P" x2="3.6657" y2="-2.4862"/> <atom id="ATP-atom27" elementType="O" x2="2.8407" y2="-2.4862"/> <atom id="ATP-atom28" elementType="O" x2="2.0157" y2="-3.313"/> <atom id="ATP-atom29" elementType="O" x2="2.0132" y2="-1.663"/> <atom id="ATP-atom30" elementType="O" x2="1.1898" y2="-2.488"/> <atom id="ATP-atom31" elementType="P" x2="2.0148" y2="-2.488"/> <bond id="ATP-bond1" atomRefs="ATP-atom30 ATP-atom31" order="1"/> <bond id="ATP-bond2" atomRefs="ATP-atom29 ATP-atom31" order="1"/> <bond id="ATP-bond3" atomRefs="ATP-atom28 ATP-atom31" order="2"/> <bond id="ATP-bond4" atomRefs="ATP-atom27 ATP-atom31" order="1"/> <bond id="ATP-bond5" atomRefs="ATP-atom27 ATP-atom26" order="1"/> <bond id="ATP-bond6" atomRefs="ATP-atom25 ATP-atom26" order="1"/> <bond id="ATP-bond7" atomRefs="ATP-atom24 ATP-atom26" order="2"/> <bond id="ATP-bond8" atomRefs="ATP-atom23 ATP-atom26" order="1"/> <bond id="ATP-bond9" atomRefs="ATP-atom16 ATP-atom22" order="1"/> <bond id="ATP-bond10" atomRefs="ATP-atom21 ATP-atom11" order="1"/> <bond id="ATP-bond11" atomRefs="ATP-atom1 ATP-atom20" order="2"/> <bond id="ATP-bond12" atomRefs="ATP-atom15 ATP-atom2" order="1"/> <bond id="ATP-bond13" atomRefs="ATP-atom3 ATP-atom20" order="1"/> <bond id="ATP-bond14" atomRefs="ATP-atom6 ATP-atom4" order="A"/> <bond id="ATP-bond15" atomRefs="ATP-atom4 ATP-atom19" order="A"/> <bond id="ATP-bond16" atomRefs="ATP-atom5 ATP-atom8" order="1"/> <bond id="ATP-bond17" atomRefs="ATP-atom14 ATP-atom5" order="1"/> <bond id="ATP-bond18" atomRefs="ATP-atom12 ATP-atom6" order="A"/> <bond id="ATP-bond19" atomRefs="ATP-atom10 ATP-atom7" order="A"/> <bond id="ATP-bond20" atomRefs="ATP-atom7 ATP-atom13" order="A"/> <bond id="ATP-bond21" atomRefs="ATP-atom8 ATP-atom20" order="1"/> <bond id="ATP-bond22" atomRefs="ATP-atom9 ATP-atom14" order="1"/> <bond id="ATP-bond23" atomRefs="ATP-atom9 ATP-atom17" order="1"/> <bond id="ATP-bond24" atomRefs="ATP-atom23 ATP-atom20" order="1"/> <bond id="ATP-bond25" atomRefs="ATP-atom18 ATP-atom10" order="A"/> <bond id="ATP-bond26" atomRefs="ATP-atom12 ATP-atom11" order="A"/> <bond id="ATP-bond27" atomRefs="ATP-atom11 ATP-atom18" order="A"/> <bond id="ATP-bond28" atomRefs="ATP-atom13 ATP-atom12" order="A"/> <bond id="ATP-bond29" atomRefs="ATP-atom19 ATP-atom13" order="A"/> <bond id="ATP-bond30" atomRefs="ATP-atom14 ATP-atom15" order="1"/> <bond id="ATP-bond31" atomRefs="ATP-atom15 ATP-atom16" order="1"/> <bond id="ATP-bond32" atomRefs="ATP-atom16 ATP-atom17" order="1"/> <bond id="ATP-bond33" atomRefs="ATP-atom17 ATP-atom19" order="1"/> <formula concise="C 10 H 16 N 5 O 13 P 3" formalCharge="-4"/> 507.183 C(OP(O)(=O)OP(=O)(O)OP(O)(O)=O)C1(OC(C(O)C(O)1)n2(c3(c(nc2)c(N)ncn3)))
<atom id="ALPHA-D-GALACTOSE-atom1" elementType="O" x2="0.0" y2="-5.6"/> <atom id="ALPHA-D-GALACTOSE-atom2" elementType="O" x2="4.8497" y2="-4.2"/> <atom id="ALPHA-D-GALACTOSE-atom3" elementType="O" x2="4.8497" y2="-1.4"/> <atom id="ALPHA-D-GALACTOSE-atom4" elementType="O" x2="2.4249" y2="0.0"/> <atom id="ALPHA-D-GALACTOSE-atom5" elementType="O" x2="0.0" y2="-1.4"/> <atom id="ALPHA-D-GALACTOSE-atom6" elementType="C" x2="0.0" y2="-4.2"/> <atom id="ALPHA-D-GALACTOSE-atom7" elementType="O" x2="2.4249" y2="-4.2"/> <atom id="ALPHA-D-GALACTOSE-atom8" elementType="C" x2="3.6373" y2="-3.5"/> <atom id="ALPHA-D-GALACTOSE-atom9" elementType="C" x2="3.6373" y2="-2.1"/> <atom id="ALPHA-D-GALACTOSE-atom10" elementType="C" x2="2.4249" y2="-1.4"/> <atom id="ALPHA-D-GALACTOSE-atom11" elementType="C" x2="1.2124" y2="-2.1"/> <atom id="ALPHA-D-GALACTOSE-atom12" elementType="C" x2="1.2124" y2="-3.5"/> <bond id="ALPHA-D-GALACTOSE-bond1" atomRefs="ALPHA-D-GALACTOSE-atom11 ALPHA-D-GALACTOSE-atom12" order="1"/> <bond id="ALPHA-D-GALACTOSE-bond2" atomRefs="ALPHA-D-GALACTOSE-atom10 ALPHA-D-GALACTOSE-atom11" order="1"/> <bond id="ALPHA-D-GALACTOSE-bond3" atomRefs="ALPHA-D-GALACTOSE-atom9 ALPHA-D-GALACTOSE-atom10" order="1"/> <bond id="ALPHA-D-GALACTOSE-bond4" atomRefs="ALPHA-D-GALACTOSE-atom8 ALPHA-D-GALACTOSE-atom9" order="1"/> <bond id="ALPHA-D-GALACTOSE-bond5" atomRefs="ALPHA-D-GALACTOSE-atom7 ALPHA-D-GALACTOSE-atom12" order="1"/> <bond id="ALPHA-D-GALACTOSE-bond6" atomRefs="ALPHA-D-GALACTOSE-atom7 ALPHA-D-GALACTOSE-atom8" order="1"/> <bond id="ALPHA-D-GALACTOSE-bond7" atomRefs="ALPHA-D-GALACTOSE-atom12 ALPHA-D-GALACTOSE-atom6" order="1"/> <bond id="ALPHA-D-GALACTOSE-bond8" atomRefs="ALPHA-D-GALACTOSE-atom11 ALPHA-D-GALACTOSE-atom5" order="1"/> <bond id="ALPHA-D-GALACTOSE-bond9" atomRefs="ALPHA-D-GALACTOSE-atom10 ALPHA-D-GALACTOSE-atom4" order="1"/> <bond id="ALPHA-D-GALACTOSE-bond10" atomRefs="ALPHA-D-GALACTOSE-atom9 ALPHA-D-GALACTOSE-atom3" order="1"/> <bond id="ALPHA-D-GALACTOSE-bond11" atomRefs="ALPHA-D-GALACTOSE-atom8 ALPHA-D-GALACTOSE-atom2" order="1"/> <bond id="ALPHA-D-GALACTOSE-bond12" atomRefs="ALPHA-D-GALACTOSE-atom1 ALPHA-D-GALACTOSE-atom6" order="1"/> <formula concise="C 6 H 12 O 6" formalCharge="0"/> 180.157 C(O)C1(C(O)C(O)C(O)C(O1)O)
<atom id="GALACTOSE-1P-atom1" elementType="O" x2="7.6497" y2="-4.2"/> <atom id="GALACTOSE-1P-atom2" elementType="O" x2="0.0" y2="-5.6"/> <atom id="GALACTOSE-1P-atom3" elementType="O" x2="2.4249" y2="0.0"/> <atom id="GALACTOSE-1P-atom4" elementType="O" x2="0.0" y2="-1.4"/> <atom id="GALACTOSE-1P-atom5" elementType="O" x2="4.8497" y2="-1.4"/> <atom id="GALACTOSE-1P-atom6" elementType="O" x2="6.2497" y2="-5.6"/> <atom id="GALACTOSE-1P-atom7" elementType="O" x2="6.2497" y2="-2.8"/> <atom id="GALACTOSE-1P-atom8" elementType="C" x2="0.0" y2="-4.2"/> <atom id="GALACTOSE-1P-atom9" elementType="O" x2="2.4249" y2="-4.2"/> <atom id="GALACTOSE-1P-atom10" elementType="O" x2="4.8497" y2="-4.2"/> <atom id="GALACTOSE-1P-atom11" elementType="C" x2="2.4249" y2="-1.4"/> <atom id="GALACTOSE-1P-atom12" elementType="C" x2="1.2124" y2="-2.1"/> <atom id="GALACTOSE-1P-atom13" elementType="C" x2="3.6373" y2="-2.1"/> <atom id="GALACTOSE-1P-atom14" elementType="C" x2="1.2124" y2="-3.5"/> <atom id="GALACTOSE-1P-atom15" elementType="C" x2="3.6373" y2="-3.5"/> <atom id="GALACTOSE-1P-atom16" elementType="P" x2="6.2497" y2="-4.2"/> <bond id="GALACTOSE-1P-bond1" atomRefs="GALACTOSE-1P-atom13 GALACTOSE-1P-atom15" order="1"/> <bond id="GALACTOSE-1P-bond2" atomRefs="GALACTOSE-1P-atom12 GALACTOSE-1P-atom14" order="1"/> <bond id="GALACTOSE-1P-bond3" atomRefs="GALACTOSE-1P-atom11 GALACTOSE-1P-atom13" order="1"/> <bond id="GALACTOSE-1P-bond4" atomRefs="GALACTOSE-1P-atom11 GALACTOSE-1P-atom12" order="1"/> <bond id="GALACTOSE-1P-bond5" atomRefs="GALACTOSE-1P-atom10 GALACTOSE-1P-atom16" order="1"/> <bond id="GALACTOSE-1P-bond6" atomRefs="GALACTOSE-1P-atom15 GALACTOSE-1P-atom10" order="1"/> <bond id="GALACTOSE-1P-bond7" atomRefs="GALACTOSE-1P-atom9 GALACTOSE-1P-atom15" order="1"/> <bond id="GALACTOSE-1P-bond8" atomRefs="GALACTOSE-1P-atom9 GALACTOSE-1P-atom14" order="1"/> <bond id="GALACTOSE-1P-bond9" atomRefs="GALACTOSE-1P-atom14 GALACTOSE-1P-atom8" order="1"/> <bond id="GALACTOSE-1P-bond10" atomRefs="GALACTOSE-1P-atom7 GALACTOSE-1P-atom16" order="1"/> <bond id="GALACTOSE-1P-bond11" atomRefs="GALACTOSE-1P-atom6 GALACTOSE-1P-atom16" order="1"/> <bond id="GALACTOSE-1P-bond12" atomRefs="GALACTOSE-1P-atom13 GALACTOSE-1P-atom5" order="1"/> <bond id="GALACTOSE-1P-bond13" atomRefs="GALACTOSE-1P-atom12 GALACTOSE-1P-atom4" order="1"/> <bond id="GALACTOSE-1P-bond14" atomRefs="GALACTOSE-1P-atom11 GALACTOSE-1P-atom3" order="1"/> <bond id="GALACTOSE-1P-bond15" atomRefs="GALACTOSE-1P-atom2 GALACTOSE-1P-atom8" order="1"/> <bond id="GALACTOSE-1P-bond16" atomRefs="GALACTOSE-1P-atom1 GALACTOSE-1P-atom16" order="2"/> <formula concise="C 6 H 13 O 9 P 1" formalCharge="0"/> 260.137 C(O)C1(OC(OP(O)(O)=O)C(O)C(O)C1O) alpha-D-galactopyranose, 1-(dihydrogen phosphate)
<atom id="GLUCONATE-atom1" elementType="O" x2="0.99658" y2="0.50769"/> <atom id="GLUCONATE-atom2" elementType="H" x2="0.15556" y2="1.0"/> <atom id="GLUCONATE-atom3" elementType="O" x2="-1.0" y2="0.96239"/> <atom id="GLUCONATE-atom4" elementType="O" x2="0.15556" y2="0.45983"/> <atom id="GLUCONATE-atom5" elementType="C" x2="0.84615" y2="0.72991"/> <atom id="GLUCONATE-atom6" elementType="C" x2="0.50085" y2="0.72991"/> <atom id="GLUCONATE-atom7" elementType="O" x2="-0.17949" y2="1.0"/> <atom id="GLUCONATE-atom8" elementType="H" x2="-0.17949" y2="0.45983"/> <atom id="GLUCONATE-atom9" elementType="O" x2="-0.52479" y2="1.0"/> <atom id="GLUCONATE-atom10" elementType="H" x2="0.50085" y2="0.45983"/> <atom id="GLUCONATE-atom11" elementType="C" x2="0.15556" y2="0.72991"/> <atom id="GLUCONATE-atom12" elementType="C" x2="-0.86325" y2="0.72991"/> <atom id="GLUCONATE-atom13" elementType="C" x2="-0.17949" y2="0.72991"/> <atom id="GLUCONATE-atom14" elementType="O" x2="0.50085" y2="1.0"/> <atom id="GLUCONATE-atom15" elementType="O" x2="0.98291" y2="0.96581"/> <atom id="GLUCONATE-atom16" elementType="H" x2="-0.52479" y2="0.45983"/> <atom id="GLUCONATE-atom17" elementType="C" x2="-0.52479" y2="0.72991"/> <bond id="GLUCONATE-bond1" atomRefs="GLUCONATE-atom17 GLUCONATE-atom13" order="1"/> <bond id="GLUCONATE-bond2" atomRefs="GLUCONATE-atom16 GLUCONATE-atom17" order="1"/> <bond id="GLUCONATE-bond3" atomRefs="GLUCONATE-atom15 GLUCONATE-atom5" order="2"/> <bond id="GLUCONATE-bond4" atomRefs="GLUCONATE-atom14 GLUCONATE-atom6" order="1"/> <bond id="GLUCONATE-bond5" atomRefs="GLUCONATE-atom13 GLUCONATE-atom11" order="1"/> <bond id="GLUCONATE-bond6" atomRefs="GLUCONATE-atom12 GLUCONATE-atom17" order="1"/> <bond id="GLUCONATE-bond7" atomRefs="GLUCONATE-atom11 GLUCONATE-atom6" order="1"/> <bond id="GLUCONATE-bond8" atomRefs="GLUCONATE-atom10 GLUCONATE-atom6" order="1"/> <bond id="GLUCONATE-bond9" atomRefs="GLUCONATE-atom9 GLUCONATE-atom17" order="1"/> <bond id="GLUCONATE-bond10" atomRefs="GLUCONATE-atom8 GLUCONATE-atom13" order="1"/> <bond id="GLUCONATE-bond11" atomRefs="GLUCONATE-atom7 GLUCONATE-atom13" order="1"/> <bond id="GLUCONATE-bond12" atomRefs="GLUCONATE-atom5 GLUCONATE-atom6" order="1"/> <bond id="GLUCONATE-bond13" atomRefs="GLUCONATE-atom4 GLUCONATE-atom11" order="1"/> <bond id="GLUCONATE-bond14" atomRefs="GLUCONATE-atom3 GLUCONATE-atom12" order="1"/> <bond id="GLUCONATE-bond15" atomRefs="GLUCONATE-atom2 GLUCONATE-atom11" order="1"/> <bond id="GLUCONATE-bond16" atomRefs="GLUCONATE-atom1 GLUCONATE-atom5" order="1"/> <formula concise="C 6 H 12 O 7" formalCharge="0"/> 196.157 C(O)(=O)[CH](O)[CH](O)[CH](O)[CH](O)CO
<atom id="GLYCEROL-atom1" elementType="C" x2="-0.00165" y2="-0.42149"/> <atom id="GLYCEROL-atom2" elementType="C" x2="0.49752" y2="-0.13058"/> <atom id="GLYCEROL-atom3" elementType="O" x2="-1.0" y2="-0.42149"/> <atom id="GLYCEROL-atom4" elementType="O" x2="-0.00165" y2="-1.0"/> <atom id="GLYCEROL-atom5" elementType="O" x2="0.99669" y2="-0.42149"/> <atom id="GLYCEROL-atom6" elementType="C" x2="-0.50083" y2="-0.13058"/> <bond id="GLYCEROL-bond1" atomRefs="GLYCEROL-atom6 GLYCEROL-atom1" order="1"/> <bond id="GLYCEROL-bond2" atomRefs="GLYCEROL-atom5 GLYCEROL-atom2" order="1"/> <bond id="GLYCEROL-bond3" atomRefs="GLYCEROL-atom4 GLYCEROL-atom1" order="1"/> <bond id="GLYCEROL-bond4" atomRefs="GLYCEROL-atom3 GLYCEROL-atom6" order="1"/> <bond id="GLYCEROL-bond5" atomRefs="GLYCEROL-atom2 GLYCEROL-atom1" order="1"/> <formula concise="C 3 H 8 O 3" formalCharge="0"/> 92.094 C(O)C(O)CO
<atom id="d-ribulose-1,5-p_{2}-atom1" elementType="O" x2="-0.24316" y2="0.99678"/> <atom id="d-ribulose-1,5-p_{2}-atom2" elementType="O" x2="0.10145" y2="-0.65539"/> <atom id="d-ribulose-1,5-p_{2}-atom3" elementType="O" x2="-0.65539" y2="0.33655"/> <atom id="d-ribulose-1,5-p_{2}-atom4" elementType="O" x2="-0.60386" y2="-0.65539"/> <atom id="d-ribulose-1,5-p_{2}-atom5" elementType="C" x2="-1.0" y2="0.00805"/> <atom id="d-ribulose-1,5-p_{2}-atom6" elementType="P" x2="-0.24316" y2="0.65217"/> <atom id="d-ribulose-1,5-p_{2}-atom7" elementType="C" x2="-1.0" y2="-0.65539"/> <atom id="d-ribulose-1,5-p_{2}-atom8" elementType="O" x2="-0.65539" y2="0.00805"/> <atom id="d-ribulose-1,5-p_{2}-atom9" elementType="O" x2="-0.24316" y2="-0.31079"/> <atom id="d-ribulose-1,5-p_{2}-atom10" elementType="O" x2="-0.65539" y2="-0.31723"/> <atom id="d-ribulose-1,5-p_{2}-atom11" elementType="P" x2="-0.24316" y2="-0.65539"/> <atom id="d-ribulose-1,5-p_{2}-atom12" elementType="O" x2="-0.24316" y2="0.30757"/> <atom id="d-ribulose-1,5-p_{2}-atom13" elementType="C" x2="-1.0" y2="0.33655"/> <atom id="d-ribulose-1,5-p_{2}-atom14" elementType="O" x2="-0.65862" y2="0.65217"/> <atom id="d-ribulose-1,5-p_{2}-atom15" elementType="C" x2="-1.0" y2="-0.31723"/> <atom id="d-ribulose-1,5-p_{2}-atom16" elementType="O" x2="0.10145" y2="0.65217"/> <atom id="d-ribulose-1,5-p_{2}-atom17" elementType="O" x2="-0.24316" y2="-1.0"/> <atom id="d-ribulose-1,5-p_{2}-atom18" elementType="C" x2="-1.0" y2="0.65217"/> <bond id="d-ribulose-1,5-p_{2}-bond1" atomRefs="d-ribulose-1,5-p_{2}-atom18 d-ribulose-1,5-p_{2}-atom14" order="1"/> <bond id="d-ribulose-1,5-p_{2}-bond2" atomRefs="d-ribulose-1,5-p_{2}-atom17 d-ribulose-1,5-p_{2}-atom11" order="1"/> <bond id="d-ribulose-1,5-p_{2}-bond3" atomRefs="d-ribulose-1,5-p_{2}-atom16 d-ribulose-1,5-p_{2}-atom6" order="1"/> <bond id="d-ribulose-1,5-p_{2}-bond4" atomRefs="d-ribulose-1,5-p_{2}-atom15 d-ribulose-1,5-p_{2}-atom5" order="1"/> <bond id="d-ribulose-1,5-p_{2}-bond5" atomRefs="d-ribulose-1,5-p_{2}-atom14 d-ribulose-1,5-p_{2}-atom6" order="1"/> <bond id="d-ribulose-1,5-p_{2}-bond6" atomRefs="d-ribulose-1,5-p_{2}-atom13 d-ribulose-1,5-p_{2}-atom18" order="1"/> <bond id="d-ribulose-1,5-p_{2}-bond7" atomRefs="d-ribulose-1,5-p_{2}-atom12 d-ribulose-1,5-p_{2}-atom6" order="1"/> <bond id="d-ribulose-1,5-p_{2}-bond8" atomRefs="d-ribulose-1,5-p_{2}-atom11 d-ribulose-1,5-p_{2}-atom4" order="1"/> <bond id="d-ribulose-1,5-p_{2}-bond9" atomRefs="d-ribulose-1,5-p_{2}-atom10 d-ribulose-1,5-p_{2}-atom15" order="1"/> <bond id="d-ribulose-1,5-p_{2}-bond10" atomRefs="d-ribulose-1,5-p_{2}-atom9 d-ribulose-1,5-p_{2}-atom11" order="2"/> <bond id="d-ribulose-1,5-p_{2}-bond11" atomRefs="d-ribulose-1,5-p_{2}-atom8 d-ribulose-1,5-p_{2}-atom5" order="1"/> <bond id="d-ribulose-1,5-p_{2}-bond12" atomRefs="d-ribulose-1,5-p_{2}-atom7 d-ribulose-1,5-p_{2}-atom15" order="1"/> <bond id="d-ribulose-1,5-p_{2}-bond13" atomRefs="d-ribulose-1,5-p_{2}-atom5 d-ribulose-1,5-p_{2}-atom13" order="1"/> <bond id="d-ribulose-1,5-p_{2}-bond14" atomRefs="d-ribulose-1,5-p_{2}-atom4 d-ribulose-1,5-p_{2}-atom7" order="1"/> <bond id="d-ribulose-1,5-p_{2}-bond15" atomRefs="d-ribulose-1,5-p_{2}-atom3 d-ribulose-1,5-p_{2}-atom13" order="2"/> <bond id="d-ribulose-1,5-p_{2}-bond16" atomRefs="d-ribulose-1,5-p_{2}-atom2 d-ribulose-1,5-p_{2}-atom11" order="1"/> <bond id="d-ribulose-1,5-p_{2}-bond17" atomRefs="d-ribulose-1,5-p_{2}-atom1 d-ribulose-1,5-p_{2}-atom6" order="2"/> <formula concise="C 5 H 12 O 11 P 2" formalCharge="0"/> 310.091 C(OP(=O)(O)O)C(O)C(O)C(=O)COP(O)(O)=O
<atom id="PYRIDOXINE-atom1" elementType="C" x2="-0.59734" y2="-0.14143"/> <atom id="PYRIDOXINE-atom2" elementType="C" x2="-0.20799" y2="-0.797"/> <atom id="PYRIDOXINE-atom3" elementType="C" x2="0.17471" y2="0.30782"/> <atom id="PYRIDOXINE-atom4" elementType="O" x2="0.19468" y2="-1.0"/> <atom id="PYRIDOXINE-atom5" elementType="C" x2="-0.20799" y2="-0.35774"/> <atom id="PYRIDOXINE-atom6" elementType="C" x2="-0.59734" y2="0.30782"/> <atom id="PYRIDOXINE-atom7" elementType="C" x2="0.17471" y2="-0.14143"/> <atom id="PYRIDOXINE-atom8" elementType="O" x2="0.99667" y2="-0.40433"/> <atom id="PYRIDOXINE-atom9" elementType="N" x2="-0.20799" y2="0.53078"/> <atom id="PYRIDOXINE-atom10" elementType="O" x2="-0.96339" y2="-0.401"/> <atom id="PYRIDOXINE-atom11" elementType="C" x2="-1.0" y2="0.50416"/> <atom id="PYRIDOXINE-atom12" elementType="C" x2="0.54742" y2="-0.40433"/> <bond id="PYRIDOXINE-bond1" atomRefs="PYRIDOXINE-atom12 PYRIDOXINE-atom8" order="1"/> <bond id="PYRIDOXINE-bond2" atomRefs="PYRIDOXINE-atom11 PYRIDOXINE-atom6" order="1"/> <bond id="PYRIDOXINE-bond3" atomRefs="PYRIDOXINE-atom10 PYRIDOXINE-atom1" order="1"/> <bond id="PYRIDOXINE-bond4" atomRefs="PYRIDOXINE-atom9 PYRIDOXINE-atom3" order="A"/> <bond id="PYRIDOXINE-bond5" atomRefs="PYRIDOXINE-atom7 PYRIDOXINE-atom12" order="1"/> <bond id="PYRIDOXINE-bond6" atomRefs="PYRIDOXINE-atom6 PYRIDOXINE-atom9" order="A"/> <bond id="PYRIDOXINE-bond7" atomRefs="PYRIDOXINE-atom7 PYRIDOXINE-atom5" order="A"/> <bond id="PYRIDOXINE-bond8" atomRefs="PYRIDOXINE-atom4 PYRIDOXINE-atom2" order="1"/> <bond id="PYRIDOXINE-bond9" atomRefs="PYRIDOXINE-atom3 PYRIDOXINE-atom7" order="A"/> <bond id="PYRIDOXINE-bond10" atomRefs="PYRIDOXINE-atom2 PYRIDOXINE-atom5" order="1"/> <bond id="PYRIDOXINE-bond11" atomRefs="PYRIDOXINE-atom5 PYRIDOXINE-atom1" order="A"/> <bond id="PYRIDOXINE-bond12" atomRefs="PYRIDOXINE-atom1 PYRIDOXINE-atom6" order="A"/> <formula concise="C 8 H 11 N 1 O 3" formalCharge="0"/> 169.18 C(O)c1(c(CO)cnc(C)c(O)1)
2-methyl-3-hydroxy-4,5-bis(hydroxy-methyl) pyridine
<atom id="PYRIDOXAL-atom1" elementType="C" x2="-0.59734" y2="-0.14143"/> <atom id="PYRIDOXAL-atom2" elementType="C" x2="-0.20799" y2="-0.797"/> <atom id="PYRIDOXAL-atom3" elementType="C" x2="0.17471" y2="0.30782"/> <atom id="PYRIDOXAL-atom4" elementType="O" x2="0.19468" y2="-1.0"/> <atom id="PYRIDOXAL-atom5" elementType="C" x2="-0.20799" y2="-0.35774"/> <atom id="PYRIDOXAL-atom6" elementType="C" x2="-0.59734" y2="0.30782"/> <atom id="PYRIDOXAL-atom7" elementType="C" x2="0.17471" y2="-0.14143"/> <atom id="PYRIDOXAL-atom8" elementType="O" x2="0.99667" y2="-0.40433"/> <atom id="PYRIDOXAL-atom9" elementType="N" x2="-0.20799" y2="0.53078"/> <atom id="PYRIDOXAL-atom10" elementType="O" x2="-0.96339" y2="-0.401"/> <atom id="PYRIDOXAL-atom11" elementType="C" x2="-1.0" y2="0.50416"/> <atom id="PYRIDOXAL-atom12" elementType="C" x2="0.54742" y2="-0.40433"/> <bond id="PYRIDOXAL-bond1" atomRefs="PYRIDOXAL-atom12 PYRIDOXAL-atom8" order="1"/> <bond id="PYRIDOXAL-bond2" atomRefs="PYRIDOXAL-atom11 PYRIDOXAL-atom6" order="1"/> <bond id="PYRIDOXAL-bond3" atomRefs="PYRIDOXAL-atom10 PYRIDOXAL-atom1" order="1"/> <bond id="PYRIDOXAL-bond4" atomRefs="PYRIDOXAL-atom9 PYRIDOXAL-atom3" order="A"/> <bond id="PYRIDOXAL-bond5" atomRefs="PYRIDOXAL-atom7 PYRIDOXAL-atom12" order="1"/> <bond id="PYRIDOXAL-bond6" atomRefs="PYRIDOXAL-atom6 PYRIDOXAL-atom9" order="A"/> <bond id="PYRIDOXAL-bond7" atomRefs="PYRIDOXAL-atom7 PYRIDOXAL-atom5" order="A"/> <bond id="PYRIDOXAL-bond8" atomRefs="PYRIDOXAL-atom4 PYRIDOXAL-atom2" order="2"/> <bond id="PYRIDOXAL-bond9" atomRefs="PYRIDOXAL-atom3 PYRIDOXAL-atom7" order="A"/> <bond id="PYRIDOXAL-bond10" atomRefs="PYRIDOXAL-atom2 PYRIDOXAL-atom5" order="1"/> <bond id="PYRIDOXAL-bond11" atomRefs="PYRIDOXAL-atom5 PYRIDOXAL-atom1" order="A"/> <bond id="PYRIDOXAL-bond12" atomRefs="PYRIDOXAL-atom1 PYRIDOXAL-atom6" order="A"/> <formula concise="C 8 H 9 N 1 O 3" formalCharge="0"/> 167.164 C(=O)c1(c(CO)cnc(C)c(O)1)
<atom id="RIBOSE-atom1" elementType="O" x2="0.0" y2="-4.2661"/> <atom id="RIBOSE-atom2" elementType="O" x2="5.2193" y2="-2.8967"/> <atom id="RIBOSE-atom3" elementType="O" x2="4.2781" y2="0.0"/> <atom id="RIBOSE-atom4" elementType="O" x2="1.2323" y2="0.0"/> <atom id="RIBOSE-atom5" elementType="C" x2="0.2911" y2="-2.8967"/> <atom id="RIBOSE-atom6" elementType="O" x2="2.7552" y2="-3.287"/> <atom id="RIBOSE-atom7" elementType="C" x2="3.8878" y2="-2.4641"/> <atom id="RIBOSE-atom8" elementType="C" x2="3.4552" y2="-1.1326"/> <atom id="RIBOSE-atom9" elementType="C" x2="2.0552" y2="-1.1326"/> <atom id="RIBOSE-atom10" elementType="C" x2="1.6226" y2="-2.4641"/> <bond id="RIBOSE-bond1" atomRefs="RIBOSE-atom9 RIBOSE-atom10" order="1"/> <bond id="RIBOSE-bond2" atomRefs="RIBOSE-atom8 RIBOSE-atom9" order="1"/> <bond id="RIBOSE-bond3" atomRefs="RIBOSE-atom7 RIBOSE-atom8" order="1"/> <bond id="RIBOSE-bond4" atomRefs="RIBOSE-atom6 RIBOSE-atom10" order="1"/> <bond id="RIBOSE-bond5" atomRefs="RIBOSE-atom6 RIBOSE-atom7" order="1"/> <bond id="RIBOSE-bond6" atomRefs="RIBOSE-atom10 RIBOSE-atom5" order="1"/> <bond id="RIBOSE-bond7" atomRefs="RIBOSE-atom9 RIBOSE-atom4" order="1"/> <bond id="RIBOSE-bond8" atomRefs="RIBOSE-atom8 RIBOSE-atom3" order="1"/> <bond id="RIBOSE-bond9" atomRefs="RIBOSE-atom2 RIBOSE-atom7" order="1"/> <bond id="RIBOSE-bond10" atomRefs="RIBOSE-atom1 RIBOSE-atom5" order="1"/> <formula concise="C 5 H 10 O 5" formalCharge="0"/> 150.131 C(O)C1(C(O)C(O)C(O1)O)
<atom id="URIDINE-atom1" elementType="H" x2="3.3893" y2="-7.8309"/> <atom id="URIDINE-atom2" elementType="O" x2="5.4767" y2="-9.2666"/> <atom id="URIDINE-atom3" elementType="O" x2="3.2556" y2="-5.5263"/> <atom id="URIDINE-atom4" elementType="O" x2="0.0" y2="-2.6211"/> <atom id="URIDINE-atom5" elementType="O" x2="2.3375" y2="0.0"/> <atom id="URIDINE-atom6" elementType="O" x2="4.1575" y2="0.0"/> <atom id="URIDINE-atom7" elementType="C" x2="6.495" y2="-7.3296"/> <atom id="URIDINE-atom8" elementType="C" x2="6.495" y2="-6.1776"/> <atom id="URIDINE-atom9" elementType="C" x2="1.1688" y2="-3.3392"/> <atom id="URIDINE-atom10" elementType="O" x2="3.2389" y2="-3.4395"/> <atom id="URIDINE-atom11" elementType="C" x2="5.4767" y2="-7.914"/> <atom id="URIDINE-atom12" elementType="C" x2="4.4578" y2="-6.1776"/> <atom id="URIDINE-atom13" elementType="C" x2="2.3375" y2="-1.3693"/> <atom id="URIDINE-atom14" elementType="C" x2="4.1575" y2="-1.3693"/> <atom id="URIDINE-atom15" elementType="C" x2="2.0367" y2="-2.6546"/> <atom id="URIDINE-atom16" elementType="C" x2="4.4578" y2="-2.6049"/> <atom id="URIDINE-atom17" elementType="N" x2="4.4578" y2="-7.3296"/> <atom id="URIDINE-atom18" elementType="N" x2="5.4767" y2="-5.5765"/> <bond id="URIDINE-bond1" atomRefs="URIDINE-atom16 URIDINE-atom18" order="1"/> <bond id="URIDINE-bond2" atomRefs="URIDINE-atom14 URIDINE-atom16" order="1"/> <bond id="URIDINE-bond3" atomRefs="URIDINE-atom13 URIDINE-atom15" order="1"/> <bond id="URIDINE-bond4" atomRefs="URIDINE-atom13 URIDINE-atom14" order="1"/> <bond id="URIDINE-bond5" atomRefs="URIDINE-atom12 URIDINE-atom18" order="A"/> <bond id="URIDINE-bond6" atomRefs="URIDINE-atom17 URIDINE-atom12" order="A"/> <bond id="URIDINE-bond7" atomRefs="URIDINE-atom11 URIDINE-atom17" order="A"/> <bond id="URIDINE-bond8" atomRefs="URIDINE-atom10 URIDINE-atom16" order="1"/> <bond id="URIDINE-bond9" atomRefs="URIDINE-atom10 URIDINE-atom15" order="1"/> <bond id="URIDINE-bond10" atomRefs="URIDINE-atom15 URIDINE-atom9" order="1"/> <bond id="URIDINE-bond11" atomRefs="URIDINE-atom18 URIDINE-atom8" order="A"/> <bond id="URIDINE-bond12" atomRefs="URIDINE-atom7 URIDINE-atom11" order="A"/> <bond id="URIDINE-bond13" atomRefs="URIDINE-atom8 URIDINE-atom7" order="A"/> <bond id="URIDINE-bond14" atomRefs="URIDINE-atom14 URIDINE-atom6" order="1"/> <bond id="URIDINE-bond15" atomRefs="URIDINE-atom13 URIDINE-atom5" order="1"/> <bond id="URIDINE-bond16" atomRefs="URIDINE-atom4 URIDINE-atom9" order="1"/> <bond id="URIDINE-bond17" atomRefs="URIDINE-atom3 URIDINE-atom12" order="2"/> <bond id="URIDINE-bond18" atomRefs="URIDINE-atom2 URIDINE-atom11" order="2"/> <bond id="URIDINE-bond19" atomRefs="URIDINE-atom1 URIDINE-atom17" order="1"/> <formula concise="C 9 H 12 N 2 O 6" formalCharge="0"/> 244.204 c1(n(c(=O)[nH]c(c1)=O)C2(C(O)C(O)C(O2)CO))
<atom id="GTP-atom1" elementType="H" x2="7.9942" y2="-7.7302"/> <atom id="GTP-atom2" elementType="N" x2="8.0267" y2="-4.9825"/> <atom id="GTP-atom3" elementType="O" x2="10.366" y2="-9.045"/> <atom id="GTP-atom4" elementType="O" x2="1.3665" y2="-3.2841"/> <atom id="GTP-atom5" elementType="O" x2="6.8077" y2="-3.2673"/> <atom id="GTP-atom6" elementType="O" x2="4.0905" y2="-3.279"/> <atom id="GTP-atom7" elementType="O" x2="10.0611" y2="-0.0081"/> <atom id="GTP-atom8" elementType="O" x2="13.0166" y2="0.0"/> <atom id="GTP-atom9" elementType="O" x2="0.0" y2="-1.9286"/> <atom id="GTP-atom10" elementType="O" x2="1.3624" y2="-0.5688"/> <atom id="GTP-atom11" elementType="O" x2="6.8036" y2="-0.5655"/> <atom id="GTP-atom12" elementType="O" x2="4.0864" y2="-0.5637"/> <atom id="GTP-atom13" elementType="C" x2="13.6467" y2="-6.3286"/> <atom id="GTP-atom14" elementType="C" x2="9.166" y2="-2.8132"/> <atom id="GTP-atom15" elementType="N" x2="12.8549" y2="-7.4386"/> <atom id="GTP-atom16" elementType="N" x2="10.3698" y2="-4.9621"/> <atom id="GTP-atom17" elementType="O" x2="8.1586" y2="-1.9134"/> <atom id="GTP-atom18" elementType="O" x2="11.5343" y2="-3.1772"/> <atom id="GTP-atom19" elementType="O" x2="2.724" y2="-1.9235"/> <atom id="GTP-atom20" elementType="O" x2="5.4479" y2="-1.9184"/> <atom id="GTP-atom21" elementType="C" x2="9.1999" y2="-5.6526"/> <atom id="GTP-atom22" elementType="C" x2="10.3698" y2="-7.6941"/> <atom id="GTP-atom23" elementType="C" x2="11.5547" y2="-7.0186"/> <atom id="GTP-atom24" elementType="C" x2="11.5547" y2="-5.6526"/> <atom id="GTP-atom25" elementType="C" x2="10.449" y2="-2.3907"/> <atom id="GTP-atom26" elementType="C" x2="10.859" y2="-1.0981"/> <atom id="GTP-atom27" elementType="C" x2="12.2173" y2="-1.0981"/> <atom id="GTP-atom28" elementType="C" x2="12.635" y2="-2.3907"/> <atom id="GTP-atom29" elementType="N" x2="9.1999" y2="-7.0186"/> <atom id="GTP-atom30" elementType="N" x2="12.8516" y2="-5.2444"/> <atom id="GTP-atom31" elementType="P" x2="1.365" y2="-1.9265"/> <atom id="GTP-atom32" elementType="P" x2="6.8062" y2="-1.9164"/> <atom id="GTP-atom33" elementType="P" x2="4.089" y2="-1.9213"/> <bond id="GTP-bond1" atomRefs="GTP-atom28 GTP-atom30" order="1"/> <bond id="GTP-bond2" atomRefs="GTP-atom27 GTP-atom28" order="1"/> <bond id="GTP-bond3" atomRefs="GTP-atom26 GTP-atom27" order="1"/> <bond id="GTP-bond4" atomRefs="GTP-atom25 GTP-atom26" order="1"/> <bond id="GTP-bond5" atomRefs="GTP-atom24 GTP-atom30" order="A"/> <bond id="GTP-bond6" atomRefs="GTP-atom23 GTP-atom24" order="A"/> <bond id="GTP-bond7" atomRefs="GTP-atom29 GTP-atom22" order="A"/> <bond id="GTP-bond8" atomRefs="GTP-atom22 GTP-atom23" order="A"/> <bond id="GTP-bond9" atomRefs="GTP-atom21 GTP-atom29" order="A"/> <bond id="GTP-bond10" atomRefs="GTP-atom20 GTP-atom33" order="1"/> <bond id="GTP-bond11" atomRefs="GTP-atom20 GTP-atom32" order="1"/> <bond id="GTP-bond12" atomRefs="GTP-atom19 GTP-atom33" order="1"/> <bond id="GTP-bond13" atomRefs="GTP-atom19 GTP-atom31" order="1"/> <bond id="GTP-bond14" atomRefs="GTP-atom18 GTP-atom28" order="1"/> <bond id="GTP-bond15" atomRefs="GTP-atom18 GTP-atom25" order="1"/> <bond id="GTP-bond16" atomRefs="GTP-atom17 GTP-atom32" order="1"/> <bond id="GTP-bond17" atomRefs="GTP-atom24 GTP-atom16" order="A"/> <bond id="GTP-bond18" atomRefs="GTP-atom16 GTP-atom21" order="A"/> <bond id="GTP-bond19" atomRefs="GTP-atom15 GTP-atom23" order="A"/> <bond id="GTP-bond20" atomRefs="GTP-atom25 GTP-atom14" order="1"/> <bond id="GTP-bond21" atomRefs="GTP-atom14 GTP-atom17" order="1"/> <bond id="GTP-bond22" atomRefs="GTP-atom30 GTP-atom13" order="A"/> <bond id="GTP-bond23" atomRefs="GTP-atom13 GTP-atom15" order="A"/> <bond id="GTP-bond24" atomRefs="GTP-atom12 GTP-atom33" order="1"/> <bond id="GTP-bond25" atomRefs="GTP-atom11 GTP-atom32" order="1"/> <bond id="GTP-bond26" atomRefs="GTP-atom10 GTP-atom31" order="1"/> <bond id="GTP-bond27" atomRefs="GTP-atom9 GTP-atom31" order="1"/> <bond id="GTP-bond28" atomRefs="GTP-atom27 GTP-atom8" order="1"/> <bond id="GTP-bond29" atomRefs="GTP-atom26 GTP-atom7" order="1"/> <bond id="GTP-bond30" atomRefs="GTP-atom6 GTP-atom33" order="2"/> <bond id="GTP-bond31" atomRefs="GTP-atom5 GTP-atom32" order="2"/> <bond id="GTP-bond32" atomRefs="GTP-atom4 GTP-atom31" order="2"/> <bond id="GTP-bond33" atomRefs="GTP-atom3 GTP-atom22" order="2"/> <bond id="GTP-bond34" atomRefs="GTP-atom2 GTP-atom21" order="1"/> <bond id="GTP-bond35" atomRefs="GTP-atom1 GTP-atom29" order="1"/> <formula concise="C 10 H 16 N 5 O 14 P 3" formalCharge="-4"/> 523.183 C(OP(=O)(O)OP(=O)(O)OP(O)(O)=O)C1(OC(C(O)C1O)n2(c3(c(nc2)c(=O)[nH]c(n3)N)))
<atom id="D-XYLULOSE-atom1" elementType="O" x2="0.20868" y2="-0.99666"/> <atom id="D-XYLULOSE-atom2" elementType="O" x2="0.20868" y2="1.0"/> <atom id="D-XYLULOSE-atom3" elementType="C" x2="-0.39566" y2="0.00167"/> <atom id="D-XYLULOSE-atom4" elementType="O" x2="0.20868" y2="0.5025"/> <atom id="D-XYLULOSE-atom5" elementType="O" x2="0.20868" y2="-0.5025"/> <atom id="D-XYLULOSE-atom6" elementType="C" x2="-0.39566" y2="-0.5025"/> <atom id="D-XYLULOSE-atom7" elementType="C" x2="-0.39566" y2="1.0"/> <atom id="D-XYLULOSE-atom8" elementType="C" x2="-0.39566" y2="-0.99666"/> <atom id="D-XYLULOSE-atom9" elementType="C" x2="-0.39566" y2="0.5025"/> <atom id="D-XYLULOSE-atom10" elementType="O" x2="-1.0" y2="0.00167"/> <bond id="D-XYLULOSE-bond1" atomRefs="D-XYLULOSE-atom10 D-XYLULOSE-atom3" order="1"/> <bond id="D-XYLULOSE-bond2" atomRefs="D-XYLULOSE-atom9 D-XYLULOSE-atom3" order="1"/> <bond id="D-XYLULOSE-bond3" atomRefs="D-XYLULOSE-atom8 D-XYLULOSE-atom6" order="1"/> <bond id="D-XYLULOSE-bond4" atomRefs="D-XYLULOSE-atom7 D-XYLULOSE-atom9" order="1"/> <bond id="D-XYLULOSE-bond5" atomRefs="D-XYLULOSE-atom6 D-XYLULOSE-atom3" order="1"/> <bond id="D-XYLULOSE-bond6" atomRefs="D-XYLULOSE-atom5 D-XYLULOSE-atom6" order="2"/> <bond id="D-XYLULOSE-bond7" atomRefs="D-XYLULOSE-atom4 D-XYLULOSE-atom9" order="1"/> <bond id="D-XYLULOSE-bond8" atomRefs="D-XYLULOSE-atom2 D-XYLULOSE-atom7" order="1"/> <bond id="D-XYLULOSE-bond9" atomRefs="D-XYLULOSE-atom1 D-XYLULOSE-atom8" order="1"/> <formula concise="C 5 H 10 O 5" formalCharge="0"/> 150.131 C(O)C(O)C(O)C(=O)CO
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<atom id="CTP-atom1" elementType="N" x2="8.5918" y2="-5.0505"/> <atom id="CTP-atom2" elementType="O" x2="7.167" y2="-2.5808"/> <atom id="CTP-atom3" elementType="O" x2="0.8529" y2="-2.0106"/> <atom id="CTP-atom4" elementType="O" x2="4.1382" y2="-1.9811"/> <atom id="CTP-atom5" elementType="O" x2="2.4961" y2="-1.9811"/> <atom id="CTP-atom6" elementType="O" x2="6.1144" y2="-0.0013"/> <atom id="CTP-atom7" elementType="O" x2="7.907" y2="0.0"/> <atom id="CTP-atom8" elementType="O" x2="0.0" y2="-1.1664"/> <atom id="CTP-atom9" elementType="O" x2="0.8244" y2="-0.3334"/> <atom id="CTP-atom10" elementType="O" x2="4.1357" y2="-0.3399"/> <atom id="CTP-atom11" elementType="O" x2="2.4961" y2="-0.3399"/> <atom id="CTP-atom12" elementType="C" x2="9.3138" y2="-3.8196"/> <atom id="CTP-atom13" elementType="C" x2="9.3138" y2="-2.9898"/> <atom id="CTP-atom14" elementType="C" x2="5.5707" y2="-1.7052"/> <atom id="CTP-atom15" elementType="N" x2="7.8834" y2="-3.8196"/> <atom id="CTP-atom16" elementType="O" x2="4.9587" y2="-1.1587"/> <atom id="CTP-atom17" elementType="O" x2="7.0093" y2="-1.9263"/> <atom id="CTP-atom18" elementType="O" x2="1.6773" y2="-1.1578"/> <atom id="CTP-atom19" elementType="O" x2="3.3167" y2="-1.1605"/> <atom id="CTP-atom20" elementType="C" x2="7.8834" y2="-2.9898"/> <atom id="CTP-atom21" elementType="C" x2="8.594" y2="-4.2299"/> <atom id="CTP-atom22" elementType="C" x2="6.599" y2="-0.6634"/> <atom id="CTP-atom23" elementType="C" x2="7.4241" y2="-0.6634"/> <atom id="CTP-atom24" elementType="C" x2="6.35" y2="-1.4486"/> <atom id="CTP-atom25" elementType="C" x2="7.6778" y2="-1.4486"/> <atom id="CTP-atom26" elementType="N" x2="8.594" y2="-2.5705"/> <atom id="CTP-atom27" elementType="P" x2="0.8387" y2="-1.172"/> <atom id="CTP-atom28" elementType="P" x2="4.1373" y2="-1.1605"/> <atom id="CTP-atom29" elementType="P" x2="2.4961" y2="-1.1605"/> <bond id="CTP-bond1" atomRefs="CTP-atom25 CTP-atom26" order="1"/> <bond id="CTP-bond2" atomRefs="CTP-atom23 CTP-atom25" order="1"/> <bond id="CTP-bond3" atomRefs="CTP-atom22 CTP-atom24" order="1"/> <bond id="CTP-bond4" atomRefs="CTP-atom22 CTP-atom23" order="1"/> <bond id="CTP-bond5" atomRefs="CTP-atom20 CTP-atom26" order="A"/> <bond id="CTP-bond6" atomRefs="CTP-atom19 CTP-atom29" order="1"/> <bond id="CTP-bond7" atomRefs="CTP-atom19 CTP-atom28" order="1"/> <bond id="CTP-bond8" atomRefs="CTP-atom18 CTP-atom29" order="1"/> <bond id="CTP-bond9" atomRefs="CTP-atom18 CTP-atom27" order="1"/> <bond id="CTP-bond10" atomRefs="CTP-atom17 CTP-atom25" order="1"/> <bond id="CTP-bond11" atomRefs="CTP-atom17 CTP-atom24" order="1"/> <bond id="CTP-bond12" atomRefs="CTP-atom16 CTP-atom28" order="1"/> <bond id="CTP-bond13" atomRefs="CTP-atom21 CTP-atom15" order="A"/> <bond id="CTP-bond14" atomRefs="CTP-atom15 CTP-atom20" order="A"/> <bond id="CTP-bond15" atomRefs="CTP-atom24 CTP-atom14" order="1"/> <bond id="CTP-bond16" atomRefs="CTP-atom14 CTP-atom16" order="1"/> <bond id="CTP-bond17" atomRefs="CTP-atom26 CTP-atom13" order="A"/> <bond id="CTP-bond18" atomRefs="CTP-atom12 CTP-atom21" order="A"/> <bond id="CTP-bond19" atomRefs="CTP-atom13 CTP-atom12" order="A"/> <bond id="CTP-bond20" atomRefs="CTP-atom11 CTP-atom29" order="1"/> <bond id="CTP-bond21" atomRefs="CTP-atom10 CTP-atom28" order="1"/> <bond id="CTP-bond22" atomRefs="CTP-atom9 CTP-atom27" order="1"/> <bond id="CTP-bond23" atomRefs="CTP-atom8 CTP-atom27" order="1"/> <bond id="CTP-bond24" atomRefs="CTP-atom23 CTP-atom7" order="1"/> <bond id="CTP-bond25" atomRefs="CTP-atom22 CTP-atom6" order="1"/> <bond id="CTP-bond26" atomRefs="CTP-atom5 CTP-atom29" order="2"/> <bond id="CTP-bond27" atomRefs="CTP-atom4 CTP-atom28" order="2"/> <bond id="CTP-bond28" atomRefs="CTP-atom3 CTP-atom27" order="2"/> <bond id="CTP-bond29" atomRefs="CTP-atom2 CTP-atom20" order="2"/> <bond id="CTP-bond30" atomRefs="CTP-atom1 CTP-atom21" order="1"/> <formula concise="C 9 H 16 N 3 O 14 P 3" formalCharge="0"/> 483.158 c1(n(c(=O)nc(c1)N)C2(OC(C(O)C2O)COP(=O)(O)OP(=O)(O)OP(O)(O)=O))
<atom id="DATP-atom1" elementType="O" x2="5.313" y2="-3.3049"/> <atom id="DATP-atom2" elementType="O" x2="3.6711" y2="-3.3049"/> <atom id="DATP-atom3" elementType="O" x2="7.2891" y2="-1.3253"/> <atom id="DATP-atom4" elementType="O" x2="5.3105" y2="-1.6639"/> <atom id="DATP-atom5" elementType="O" x2="3.6711" y2="-1.6639"/> <atom id="DATP-atom6" elementType="C" x2="9.9778" y2="-4.7867"/> <atom id="DATP-atom7" elementType="C" x2="6.7454" y2="-3.0291"/> <atom id="DATP-atom8" elementType="N" x2="9.4969" y2="-5.4609"/> <atom id="DATP-atom9" elementType="N" x2="7.9875" y2="-3.9567"/> <atom id="DATP-atom10" elementType="O" x2="6.1335" y2="-2.4826"/> <atom id="DATP-atom11" elementType="O" x2="8.1839" y2="-3.2502"/> <atom id="DATP-atom12" elementType="O" x2="4.4916" y2="-2.4844"/> <atom id="DATP-atom13" elementType="C" x2="7.2769" y2="-4.3761"/> <atom id="DATP-atom14" elementType="C" x2="7.9875" y2="-5.6161"/> <atom id="DATP-atom15" elementType="C" x2="8.7072" y2="-5.2058"/> <atom id="DATP-atom16" elementType="C" x2="8.7072" y2="-4.3761"/> <atom id="DATP-atom17" elementType="C" x2="7.5247" y2="-2.7725"/> <atom id="DATP-atom18" elementType="C" x2="7.7737" y2="-1.9874"/> <atom id="DATP-atom19" elementType="C" x2="8.5987" y2="-1.9874"/> <atom id="DATP-atom20" elementType="C" x2="8.8524" y2="-2.7725"/> <atom id="DATP-atom21" elementType="N" x2="7.2769" y2="-5.2058"/> <atom id="DATP-atom22" elementType="N" x2="9.4949" y2="-4.1282"/> <atom id="DATP-atom23" elementType="P" x2="5.3121" y2="-2.4844"/> <atom id="DATP-atom24" elementType="P" x2="3.6711" y2="-2.4844"/> <atom id="DATP-atom25" elementType="O" x2="2.8523" y2="-2.4817"/> <atom id="DATP-atom26" elementType="O" x2="2.0273" y2="-3.3067"/> <atom id="DATP-atom27" elementType="O" x2="2.0273" y2="-1.6567"/> <atom id="DATP-atom28" elementType="O" x2="1.2042" y2="-2.479"/> <atom id="DATP-atom29" elementType="P" x2="2.0273" y2="-2.4817"/> <atom id="DATP-atom30" elementType="N" x2="7.9852" y2="-6.4411"/> <bond id="DATP-bond1" atomRefs="DATP-atom28 DATP-atom29" order="1"/> <bond id="DATP-bond2" atomRefs="DATP-atom27 DATP-atom29" order="1"/> <bond id="DATP-bond3" atomRefs="DATP-atom26 DATP-atom29" order="2"/> <bond id="DATP-bond4" atomRefs="DATP-atom25 DATP-atom29" order="1"/> <bond id="DATP-bond5" atomRefs="DATP-atom30 DATP-atom14" order="1"/> <bond id="DATP-bond6" atomRefs="DATP-atom1 DATP-atom23" order="2"/> <bond id="DATP-bond7" atomRefs="DATP-atom2 DATP-atom24" order="2"/> <bond id="DATP-bond8" atomRefs="DATP-atom18 DATP-atom3" order="1"/> <bond id="DATP-bond9" atomRefs="DATP-atom4 DATP-atom23" order="1"/> <bond id="DATP-bond10" atomRefs="DATP-atom5 DATP-atom24" order="1"/> <bond id="DATP-bond11" atomRefs="DATP-atom8 DATP-atom6" order="A"/> <bond id="DATP-bond12" atomRefs="DATP-atom6 DATP-atom22" order="A"/> <bond id="DATP-bond13" atomRefs="DATP-atom7 DATP-atom10" order="1"/> <bond id="DATP-bond14" atomRefs="DATP-atom17 DATP-atom7" order="1"/> <bond id="DATP-bond15" atomRefs="DATP-atom15 DATP-atom8" order="A"/> <bond id="DATP-bond16" atomRefs="DATP-atom13 DATP-atom9" order="A"/> <bond id="DATP-bond17" atomRefs="DATP-atom9 DATP-atom16" order="A"/> <bond id="DATP-bond18" atomRefs="DATP-atom10 DATP-atom23" order="1"/> <bond id="DATP-bond19" atomRefs="DATP-atom11 DATP-atom17" order="1"/> <bond id="DATP-bond20" atomRefs="DATP-atom11 DATP-atom20" order="1"/> <bond id="DATP-bond21" atomRefs="DATP-atom25 DATP-atom24" order="1"/> <bond id="DATP-bond22" atomRefs="DATP-atom12 DATP-atom23" order="1"/> <bond id="DATP-bond23" atomRefs="DATP-atom12 DATP-atom24" order="1"/> <bond id="DATP-bond24" atomRefs="DATP-atom21 DATP-atom13" order="A"/> <bond id="DATP-bond25" atomRefs="DATP-atom15 DATP-atom14" order="A"/> <bond id="DATP-bond26" atomRefs="DATP-atom14 DATP-atom21" order="A"/> <bond id="DATP-bond27" atomRefs="DATP-atom16 DATP-atom15" order="A"/> <bond id="DATP-bond28" atomRefs="DATP-atom22 DATP-atom16" order="A"/> <bond id="DATP-bond29" atomRefs="DATP-atom17 DATP-atom18" order="1"/> <bond id="DATP-bond30" atomRefs="DATP-atom18 DATP-atom19" order="1"/> <bond id="DATP-bond31" atomRefs="DATP-atom19 DATP-atom20" order="1"/> <bond id="DATP-bond32" atomRefs="DATP-atom20 DATP-atom22" order="1"/> <formula concise="C 10 H 16 N 5 O 12 P 3" formalCharge="0"/> 491.184 C(OP(O)(=O)OP(O)(=O)OP(O)(O)=O)C1(OC(CC(O)1)n2(c3(c(nc2)c(N)ncn3)))
<atom id="DCTP-atom1" elementType="N" x2="8.5912" y2="-5.0488"/> <atom id="DCTP-atom2" elementType="O" x2="7.1665" y2="-2.5793"/> <atom id="DCTP-atom3" elementType="O" x2="0.8529" y2="-2.0092"/> <atom id="DCTP-atom4" elementType="O" x2="4.1379" y2="-1.9796"/> <atom id="DCTP-atom5" elementType="O" x2="2.496" y2="-1.9796"/> <atom id="DCTP-atom6" elementType="O" x2="6.114" y2="0.0"/> <atom id="DCTP-atom7" elementType="O" x2="0.8244" y2="-0.3321"/> <atom id="DCTP-atom8" elementType="O" x2="0.0" y2="-1.165"/> <atom id="DCTP-atom9" elementType="O" x2="4.1354" y2="-0.3386"/> <atom id="DCTP-atom10" elementType="O" x2="2.496" y2="-0.3386"/> <atom id="DCTP-atom11" elementType="C" x2="9.3132" y2="-3.818"/> <atom id="DCTP-atom12" elementType="C" x2="9.3132" y2="-2.9883"/> <atom id="DCTP-atom13" elementType="C" x2="5.5703" y2="-1.7038"/> <atom id="DCTP-atom14" elementType="C" x2="7.4236" y2="-0.6621"/> <atom id="DCTP-atom15" elementType="N" x2="7.8829" y2="-3.818"/> <atom id="DCTP-atom16" elementType="O" x2="4.9585" y2="-1.1573"/> <atom id="DCTP-atom17" elementType="O" x2="7.0089" y2="-1.9249"/> <atom id="DCTP-atom18" elementType="O" x2="1.6772" y2="-1.1564"/> <atom id="DCTP-atom19" elementType="O" x2="3.3165" y2="-1.1591"/> <atom id="DCTP-atom20" elementType="C" x2="7.8829" y2="-2.9883"/> <atom id="DCTP-atom21" elementType="C" x2="8.5935" y2="-4.2283"/> <atom id="DCTP-atom22" elementType="C" x2="6.5986" y2="-0.6621"/> <atom id="DCTP-atom23" elementType="C" x2="6.3496" y2="-1.4472"/> <atom id="DCTP-atom24" elementType="C" x2="7.6773" y2="-1.4472"/> <atom id="DCTP-atom25" elementType="N" x2="8.5935" y2="-2.569"/> <atom id="DCTP-atom26" elementType="P" x2="0.8387" y2="-1.1706"/> <atom id="DCTP-atom27" elementType="P" x2="4.137" y2="-1.1591"/> <atom id="DCTP-atom28" elementType="P" x2="2.496" y2="-1.1591"/> <bond id="DCTP-bond1" atomRefs="DCTP-atom1 DCTP-atom21" order="1"/> <bond id="DCTP-bond2" atomRefs="DCTP-atom2 DCTP-atom20" order="2"/> <bond id="DCTP-bond3" atomRefs="DCTP-atom3 DCTP-atom26" order="2"/> <bond id="DCTP-bond4" atomRefs="DCTP-atom4 DCTP-atom27" order="2"/> <bond id="DCTP-bond5" atomRefs="DCTP-atom5 DCTP-atom28" order="2"/> <bond id="DCTP-bond6" atomRefs="DCTP-atom22 DCTP-atom6" order="1"/> <bond id="DCTP-bond7" atomRefs="DCTP-atom7 DCTP-atom26" order="1"/> <bond id="DCTP-bond8" atomRefs="DCTP-atom8 DCTP-atom26" order="1"/> <bond id="DCTP-bond9" atomRefs="DCTP-atom9 DCTP-atom27" order="1"/> <bond id="DCTP-bond10" atomRefs="DCTP-atom10 DCTP-atom28" order="1"/> <bond id="DCTP-bond11" atomRefs="DCTP-atom12 DCTP-atom11" order="A"/> <bond id="DCTP-bond12" atomRefs="DCTP-atom11 DCTP-atom21" order="A"/> <bond id="DCTP-bond13" atomRefs="DCTP-atom25 DCTP-atom12" order="A"/> <bond id="DCTP-bond14" atomRefs="DCTP-atom13 DCTP-atom16" order="1"/> <bond id="DCTP-bond15" atomRefs="DCTP-atom23 DCTP-atom13" order="1"/> <bond id="DCTP-bond16" atomRefs="DCTP-atom14 DCTP-atom22" order="1"/> <bond id="DCTP-bond17" atomRefs="DCTP-atom14 DCTP-atom24" order="1"/> <bond id="DCTP-bond18" atomRefs="DCTP-atom15 DCTP-atom20" order="A"/> <bond id="DCTP-bond19" atomRefs="DCTP-atom21 DCTP-atom15" order="A"/> <bond id="DCTP-bond20" atomRefs="DCTP-atom16 DCTP-atom27" order="1"/> <bond id="DCTP-bond21" atomRefs="DCTP-atom17 DCTP-atom23" order="1"/> <bond id="DCTP-bond22" atomRefs="DCTP-atom17 DCTP-atom24" order="1"/> <bond id="DCTP-bond23" atomRefs="DCTP-atom18 DCTP-atom26" order="1"/> <bond id="DCTP-bond24" atomRefs="DCTP-atom18 DCTP-atom28" order="1"/> <bond id="DCTP-bond25" atomRefs="DCTP-atom19 DCTP-atom27" order="1"/> <bond id="DCTP-bond26" atomRefs="DCTP-atom19 DCTP-atom28" order="1"/> <bond id="DCTP-bond27" atomRefs="DCTP-atom20 DCTP-atom25" order="A"/> <bond id="DCTP-bond28" atomRefs="DCTP-atom22 DCTP-atom23" order="1"/> <bond id="DCTP-bond29" atomRefs="DCTP-atom24 DCTP-atom25" order="1"/> <formula concise="C 9 H 16 N 3 O 13 P 3" formalCharge="0"/> 467.159 c1(n(c(=O)nc(N)c1)C2(OC(C(O)C2)COP(O)(=O)OP(O)(=O)OP(O)(=O)O)) 2'-deoxycytidine-5'-(tetrahydrogen triphosphate)
<atom id="DGTP-atom1" elementType="H" x2="7.8552" y2="-7.6924"/> <atom id="DGTP-atom2" elementType="N" x2="7.8863" y2="-4.9422"/> <atom id="DGTP-atom3" elementType="O" x2="10.2285" y2="-9.0096"/> <atom id="DGTP-atom4" elementType="O" x2="1.3568" y2="-3.2661"/> <atom id="DGTP-atom5" elementType="O" x2="6.7729" y2="-3.2632"/> <atom id="DGTP-atom6" elementType="O" x2="4.0664" y2="-3.2632"/> <atom id="DGTP-atom7" elementType="O" x2="10.0303" y2="0.0"/> <atom id="DGTP-atom8" elementType="O" x2="0.0" y2="-1.9018"/> <atom id="DGTP-atom9" elementType="O" x2="1.3568" y2="-0.5463"/> <atom id="DGTP-atom10" elementType="O" x2="6.7688" y2="-0.5581"/> <atom id="DGTP-atom11" elementType="O" x2="4.0664" y2="-0.5581"/> <atom id="DGTP-atom12" elementType="C" x2="13.5131" y2="-6.2899"/> <atom id="DGTP-atom13" elementType="C" x2="9.1341" y2="-2.8085"/> <atom id="DGTP-atom14" elementType="C" x2="12.1891" y2="-1.0914"/> <atom id="DGTP-atom15" elementType="N" x2="12.7203" y2="-7.4013"/> <atom id="DGTP-atom16" elementType="N" x2="10.2323" y2="-4.9218"/> <atom id="DGTP-atom17" elementType="O" x2="8.1254" y2="-1.9077"/> <atom id="DGTP-atom18" elementType="O" x2="11.5053" y2="-3.173"/> <atom id="DGTP-atom19" elementType="O" x2="2.7167" y2="-1.9062"/> <atom id="DGTP-atom20" elementType="O" x2="5.4189" y2="-1.9107"/> <atom id="DGTP-atom21" elementType="C" x2="9.0609" y2="-5.6131"/> <atom id="DGTP-atom22" elementType="C" x2="10.2323" y2="-7.6571"/> <atom id="DGTP-atom23" elementType="C" x2="11.4186" y2="-6.9808"/> <atom id="DGTP-atom24" elementType="C" x2="11.4186" y2="-5.6131"/> <atom id="DGTP-atom25" elementType="C" x2="10.8291" y2="-1.0914"/> <atom id="DGTP-atom26" elementType="C" x2="10.4187" y2="-2.3856"/> <atom id="DGTP-atom27" elementType="C" x2="12.6073" y2="-2.3856"/> <atom id="DGTP-atom28" elementType="N" x2="9.0609" y2="-6.9808"/> <atom id="DGTP-atom29" elementType="N" x2="12.717" y2="-5.2045"/> <atom id="DGTP-atom30" elementType="P" x2="1.3568" y2="-1.9062"/> <atom id="DGTP-atom31" elementType="P" x2="6.7714" y2="-1.9107"/> <atom id="DGTP-atom32" elementType="P" x2="4.0664" y2="-1.9107"/> <bond id="DGTP-bond1" atomRefs="DGTP-atom27 DGTP-atom29" order="1"/> <bond id="DGTP-bond2" atomRefs="DGTP-atom25 DGTP-atom26" order="1"/> <bond id="DGTP-bond3" atomRefs="DGTP-atom24 DGTP-atom29" order="A"/> <bond id="DGTP-bond4" atomRefs="DGTP-atom23 DGTP-atom24" order="A"/> <bond id="DGTP-bond5" atomRefs="DGTP-atom28 DGTP-atom22" order="A"/> <bond id="DGTP-bond6" atomRefs="DGTP-atom22 DGTP-atom23" order="A"/> <bond id="DGTP-bond7" atomRefs="DGTP-atom21 DGTP-atom28" order="A"/> <bond id="DGTP-bond8" atomRefs="DGTP-atom20 DGTP-atom32" order="1"/> <bond id="DGTP-bond9" atomRefs="DGTP-atom20 DGTP-atom31" order="1"/> <bond id="DGTP-bond10" atomRefs="DGTP-atom19 DGTP-atom32" order="1"/> <bond id="DGTP-bond11" atomRefs="DGTP-atom19 DGTP-atom30" order="1"/> <bond id="DGTP-bond12" atomRefs="DGTP-atom18 DGTP-atom27" order="1"/> <bond id="DGTP-bond13" atomRefs="DGTP-atom18 DGTP-atom26" order="1"/> <bond id="DGTP-bond14" atomRefs="DGTP-atom17 DGTP-atom31" order="1"/> <bond id="DGTP-bond15" atomRefs="DGTP-atom24 DGTP-atom16" order="A"/> <bond id="DGTP-bond16" atomRefs="DGTP-atom16 DGTP-atom21" order="A"/> <bond id="DGTP-bond17" atomRefs="DGTP-atom15 DGTP-atom23" order="A"/> <bond id="DGTP-bond18" atomRefs="DGTP-atom14 DGTP-atom27" order="1"/> <bond id="DGTP-bond19" atomRefs="DGTP-atom14 DGTP-atom25" order="1"/> <bond id="DGTP-bond20" atomRefs="DGTP-atom26 DGTP-atom13" order="1"/> <bond id="DGTP-bond21" atomRefs="DGTP-atom13 DGTP-atom17" order="1"/> <bond id="DGTP-bond22" atomRefs="DGTP-atom29 DGTP-atom12" order="A"/> <bond id="DGTP-bond23" atomRefs="DGTP-atom12 DGTP-atom15" order="A"/> <bond id="DGTP-bond24" atomRefs="DGTP-atom11 DGTP-atom32" order="1"/> <bond id="DGTP-bond25" atomRefs="DGTP-atom10 DGTP-atom31" order="1"/> <bond id="DGTP-bond26" atomRefs="DGTP-atom9 DGTP-atom30" order="1"/> <bond id="DGTP-bond27" atomRefs="DGTP-atom8 DGTP-atom30" order="1"/> <bond id="DGTP-bond28" atomRefs="DGTP-atom25 DGTP-atom7" order="1"/> <bond id="DGTP-bond29" atomRefs="DGTP-atom6 DGTP-atom32" order="2"/> <bond id="DGTP-bond30" atomRefs="DGTP-atom5 DGTP-atom31" order="2"/> <bond id="DGTP-bond31" atomRefs="DGTP-atom4 DGTP-atom30" order="2"/> <bond id="DGTP-bond32" atomRefs="DGTP-atom3 DGTP-atom22" order="2"/> <bond id="DGTP-bond33" atomRefs="DGTP-atom2 DGTP-atom21" order="1"/> <bond id="DGTP-bond34" atomRefs="DGTP-atom1 DGTP-atom28" order="1"/> <formula concise="C 10 H 16 N 5 O 13 P 3" formalCharge="0"/> 507.183 C(OP(=O)(O)OP(=O)(O)OP(O)(O)=O)C1(OC(CC1O)n2(c3(c(nc2)c(=O)[nH]c(n3)N)))
<atom id="TDP-atom1" elementType="H" x2="9.0377" y2="-6.9763"/> <atom id="TDP-atom2" elementType="C" x2="13.8057" y2="-6.9887"/> <atom id="TDP-atom3" elementType="O" x2="11.4355" y2="-8.3441"/> <atom id="TDP-atom4" elementType="O" x2="9.0832" y2="-4.2591"/> <atom id="TDP-atom5" elementType="O" x2="1.3637" y2="-3.2791"/> <atom id="TDP-atom6" elementType="O" x2="4.0822" y2="-3.2689"/> <atom id="TDP-atom7" elementType="O" x2="7.3452" y2="0.0"/> <atom id="TDP-atom8" elementType="O" x2="0.0" y2="-1.917"/> <atom id="TDP-atom9" elementType="O" x2="1.3595" y2="-0.5548"/> <atom id="TDP-atom10" elementType="O" x2="4.0781" y2="-0.5591"/> <atom id="TDP-atom11" elementType="C" x2="12.6278" y2="-4.9344"/> <atom id="TDP-atom12" elementType="C" x2="6.4475" y2="-2.8134"/> <atom id="TDP-atom13" elementType="C" x2="9.5077" y2="-1.0932"/> <atom id="TDP-atom14" elementType="O" x2="5.437" y2="-1.911"/> <atom id="TDP-atom15" elementType="O" x2="8.8228" y2="-3.1784"/> <atom id="TDP-atom16" elementType="O" x2="2.7258" y2="-1.914"/> <atom id="TDP-atom17" elementType="C" x2="12.6278" y2="-6.3045"/> <atom id="TDP-atom18" elementType="C" x2="11.4393" y2="-6.9819"/> <atom id="TDP-atom19" elementType="C" x2="10.266" y2="-4.9344"/> <atom id="TDP-atom20" elementType="C" x2="8.1453" y2="-1.0932"/> <atom id="TDP-atom21" elementType="C" x2="7.7342" y2="-2.3897"/> <atom id="TDP-atom22" elementType="C" x2="9.9266" y2="-2.3897"/> <atom id="TDP-atom23" elementType="N" x2="10.266" y2="-6.3045"/> <atom id="TDP-atom24" elementType="N" x2="11.4393" y2="-4.2421"/> <atom id="TDP-atom25" elementType="P" x2="1.3622" y2="-1.917"/> <atom id="TDP-atom26" elementType="P" x2="4.0808" y2="-1.914"/> <bond id="TDP-bond1" atomRefs="TDP-atom22 TDP-atom24" order="1"/> <bond id="TDP-bond2" atomRefs="TDP-atom20 TDP-atom21" order="1"/> <bond id="TDP-bond3" atomRefs="TDP-atom19 TDP-atom24" order="A"/> <bond id="TDP-bond4" atomRefs="TDP-atom23 TDP-atom19" order="A"/> <bond id="TDP-bond5" atomRefs="TDP-atom18 TDP-atom23" order="A"/> <bond id="TDP-bond6" atomRefs="TDP-atom17 TDP-atom18" order="A"/> <bond id="TDP-bond7" atomRefs="TDP-atom16 TDP-atom26" order="1"/> <bond id="TDP-bond8" atomRefs="TDP-atom16 TDP-atom25" order="1"/> <bond id="TDP-bond9" atomRefs="TDP-atom15 TDP-atom22" order="1"/> <bond id="TDP-bond10" atomRefs="TDP-atom15 TDP-atom21" order="1"/> <bond id="TDP-bond11" atomRefs="TDP-atom14 TDP-atom26" order="1"/> <bond id="TDP-bond12" atomRefs="TDP-atom13 TDP-atom22" order="1"/> <bond id="TDP-bond13" atomRefs="TDP-atom13 TDP-atom20" order="1"/> <bond id="TDP-bond14" atomRefs="TDP-atom21 TDP-atom12" order="1"/> <bond id="TDP-bond15" atomRefs="TDP-atom12 TDP-atom14" order="1"/> <bond id="TDP-bond16" atomRefs="TDP-atom24 TDP-atom11" order="A"/> <bond id="TDP-bond17" atomRefs="TDP-atom11 TDP-atom17" order="A"/> <bond id="TDP-bond18" atomRefs="TDP-atom10 TDP-atom26" order="1"/> <bond id="TDP-bond19" atomRefs="TDP-atom9 TDP-atom25" order="1"/> <bond id="TDP-bond20" atomRefs="TDP-atom8 TDP-atom25" order="1"/> <bond id="TDP-bond21" atomRefs="TDP-atom20 TDP-atom7" order="1"/> <bond id="TDP-bond22" atomRefs="TDP-atom6 TDP-atom26" order="2"/> <bond id="TDP-bond23" atomRefs="TDP-atom5 TDP-atom25" order="2"/> <bond id="TDP-bond24" atomRefs="TDP-atom4 TDP-atom19" order="2"/> <bond id="TDP-bond25" atomRefs="TDP-atom3 TDP-atom18" order="2"/> <bond id="TDP-bond26" atomRefs="TDP-atom2 TDP-atom17" order="1"/> <bond id="TDP-bond27" atomRefs="TDP-atom1 TDP-atom23" order="1"/> <formula concise="C 10 H 16 N 2 O 11 P 2" formalCharge="0"/> 402.191 Cc1(cn(c(=O)[nH]c1=O)C2(OC(C(C2)O)COP(=O)(O)OP(O)(O)=O))
thymidine 5'-(trihydrogen diphosphate) (9CI)
<atom id="TTP-atom1" elementType="H" x2="11.8328" y2="-7.0388"/> <atom id="TTP-atom2" elementType="C" x2="16.5907" y2="-7.0137"/> <atom id="TTP-atom3" elementType="O" x2="14.2121" y2="-8.374"/> <atom id="TTP-atom4" elementType="O" x2="11.8513" y2="-4.2743"/> <atom id="TTP-atom5" elementType="O" x2="1.3685" y2="-3.2939"/> <atom id="TTP-atom6" elementType="O" x2="6.8324" y2="-3.2806"/> <atom id="TTP-atom7" elementType="O" x2="4.1041" y2="-3.2909"/> <atom id="TTP-atom8" elementType="O" x2="10.1071" y2="0.0"/> <atom id="TTP-atom9" elementType="O" x2="0.0" y2="-1.9268"/> <atom id="TTP-atom10" elementType="O" x2="1.3644" y2="-0.5597"/> <atom id="TTP-atom11" elementType="O" x2="6.8283" y2="-0.5611"/> <atom id="TTP-atom12" elementType="O" x2="4.1" y2="-0.5568"/> <atom id="TTP-atom13" elementType="C" x2="15.4086" y2="-4.952"/> <atom id="TTP-atom14" elementType="C" x2="9.2062" y2="-2.8234"/> <atom id="TTP-atom15" elementType="C" x2="12.2773" y2="-1.0971"/> <atom id="TTP-atom16" elementType="O" x2="8.192" y2="-1.9179"/> <atom id="TTP-atom17" elementType="O" x2="11.59" y2="-3.1898"/> <atom id="TTP-atom18" elementType="O" x2="2.7356" y2="-1.9238"/> <atom id="TTP-atom19" elementType="O" x2="5.4712" y2="-1.9208"/> <atom id="TTP-atom20" elementType="C" x2="15.4086" y2="-6.3271"/> <atom id="TTP-atom21" elementType="C" x2="14.2159" y2="-7.0069"/> <atom id="TTP-atom22" elementType="C" x2="13.0384" y2="-4.952"/> <atom id="TTP-atom23" elementType="C" x2="10.9101" y2="-1.0971"/> <atom id="TTP-atom24" elementType="C" x2="10.4975" y2="-2.3982"/> <atom id="TTP-atom25" elementType="C" x2="12.6977" y2="-2.3982"/> <atom id="TTP-atom26" elementType="N" x2="13.0384" y2="-6.3271"/> <atom id="TTP-atom27" elementType="N" x2="14.2159" y2="-4.2573"/> <atom id="TTP-atom28" elementType="P" x2="1.3671" y2="-1.9268"/> <atom id="TTP-atom29" elementType="P" x2="6.831" y2="-1.9208"/> <atom id="TTP-atom30" elementType="P" x2="4.1027" y2="-1.9238"/> <bond id="TTP-bond1" atomRefs="TTP-atom25 TTP-atom27" order="1"/> <bond id="TTP-bond2" atomRefs="TTP-atom23 TTP-atom24" order="1"/> <bond id="TTP-bond3" atomRefs="TTP-atom22 TTP-atom27" order="A"/> <bond id="TTP-bond4" atomRefs="TTP-atom26 TTP-atom22" order="A"/> <bond id="TTP-bond5" atomRefs="TTP-atom21 TTP-atom26" order="A"/> <bond id="TTP-bond6" atomRefs="TTP-atom20 TTP-atom21" order="A"/> <bond id="TTP-bond7" atomRefs="TTP-atom19 TTP-atom30" order="1"/> <bond id="TTP-bond8" atomRefs="TTP-atom19 TTP-atom29" order="1"/> <bond id="TTP-bond9" atomRefs="TTP-atom18 TTP-atom30" order="1"/> <bond id="TTP-bond10" atomRefs="TTP-atom18 TTP-atom28" order="1"/> <bond id="TTP-bond11" atomRefs="TTP-atom17 TTP-atom25" order="1"/> <bond id="TTP-bond12" atomRefs="TTP-atom17 TTP-atom24" order="1"/> <bond id="TTP-bond13" atomRefs="TTP-atom16 TTP-atom29" order="1"/> <bond id="TTP-bond14" atomRefs="TTP-atom15 TTP-atom25" order="1"/> <bond id="TTP-bond15" atomRefs="TTP-atom15 TTP-atom23" order="1"/> <bond id="TTP-bond16" atomRefs="TTP-atom24 TTP-atom14" order="1"/> <bond id="TTP-bond17" atomRefs="TTP-atom14 TTP-atom16" order="1"/> <bond id="TTP-bond18" atomRefs="TTP-atom27 TTP-atom13" order="A"/> <bond id="TTP-bond19" atomRefs="TTP-atom13 TTP-atom20" order="A"/> <bond id="TTP-bond20" atomRefs="TTP-atom12 TTP-atom30" order="1"/> <bond id="TTP-bond21" atomRefs="TTP-atom11 TTP-atom29" order="1"/> <bond id="TTP-bond22" atomRefs="TTP-atom10 TTP-atom28" order="1"/> <bond id="TTP-bond23" atomRefs="TTP-atom9 TTP-atom28" order="1"/> <bond id="TTP-bond24" atomRefs="TTP-atom23 TTP-atom8" order="1"/> <bond id="TTP-bond25" atomRefs="TTP-atom7 TTP-atom30" order="2"/> <bond id="TTP-bond26" atomRefs="TTP-atom6 TTP-atom29" order="2"/> <bond id="TTP-bond27" atomRefs="TTP-atom5 TTP-atom28" order="2"/> <bond id="TTP-bond28" atomRefs="TTP-atom4 TTP-atom22" order="2"/> <bond id="TTP-bond29" atomRefs="TTP-atom3 TTP-atom21" order="2"/> <bond id="TTP-bond30" atomRefs="TTP-atom2 TTP-atom20" order="1"/> <bond id="TTP-bond31" atomRefs="TTP-atom1 TTP-atom26" order="1"/> <formula concise="C 10 H 17 N 2 O 14 P 3" formalCharge="0"/> 482.171 Cc1(cn(c(=O)[nH]c1=O)C2(OC(C(C2)O)COP(=O)(O)OP(=O)(O)OP(O)(O)=O)) thymidine 5'-(tetrahydrogen triphosphate)
<atom id="TMP-atom1" elementType="H" x2="5.566" y2="-7.2055"/> <atom id="TMP-atom2" elementType="C" x2="10.3196" y2="-7.1775"/> <atom id="TMP-atom3" elementType="O" x2="7.9463" y2="-8.5347"/> <atom id="TMP-atom4" elementType="O" x2="5.5904" y2="-4.444"/> <atom id="TMP-atom5" elementType="O" x2="1.3577" y2="-0.5612"/> <atom id="TMP-atom6" elementType="O" x2="4.6381" y2="0.0"/> <atom id="TMP-atom7" elementType="O" x2="1.3619" y2="-3.282"/> <atom id="TMP-atom8" elementType="O" x2="0.0" y2="-1.9216"/> <atom id="TMP-atom9" elementType="C" x2="9.1433" y2="-5.1186"/> <atom id="TMP-atom10" elementType="C" x2="3.7368" y2="-2.8248"/> <atom id="TMP-atom11" elementType="C" x2="6.8095" y2="-1.0978"/> <atom id="TMP-atom12" elementType="O" x2="2.7221" y2="-1.9187"/> <atom id="TMP-atom13" elementType="O" x2="6.1219" y2="-3.1914"/> <atom id="TMP-atom14" elementType="C" x2="9.1433" y2="-6.4941"/> <atom id="TMP-atom15" elementType="C" x2="7.9501" y2="-7.1743"/> <atom id="TMP-atom16" elementType="C" x2="6.7718" y2="-5.1186"/> <atom id="TMP-atom17" elementType="C" x2="5.4417" y2="-1.0978"/> <atom id="TMP-atom18" elementType="C" x2="5.0288" y2="-2.3992"/> <atom id="TMP-atom19" elementType="C" x2="7.23" y2="-2.3992"/> <atom id="TMP-atom20" elementType="N" x2="6.7718" y2="-6.4941"/> <atom id="TMP-atom21" elementType="N" x2="7.9475" y2="-4.4203"/> <atom id="TMP-atom22" elementType="P" x2="1.3604" y2="-1.9216"/> <bond id="TMP-bond1" atomRefs="TMP-atom19 TMP-atom21" order="1"/> <bond id="TMP-bond2" atomRefs="TMP-atom17 TMP-atom18" order="1"/> <bond id="TMP-bond3" atomRefs="TMP-atom16 TMP-atom21" order="A"/> <bond id="TMP-bond4" atomRefs="TMP-atom20 TMP-atom16" order="A"/> <bond id="TMP-bond5" atomRefs="TMP-atom15 TMP-atom20" order="A"/> <bond id="TMP-bond6" atomRefs="TMP-atom14 TMP-atom15" order="A"/> <bond id="TMP-bond7" atomRefs="TMP-atom13 TMP-atom19" order="1"/> <bond id="TMP-bond8" atomRefs="TMP-atom13 TMP-atom18" order="1"/> <bond id="TMP-bond9" atomRefs="TMP-atom12 TMP-atom22" order="1"/> <bond id="TMP-bond10" atomRefs="TMP-atom11 TMP-atom19" order="1"/> <bond id="TMP-bond11" atomRefs="TMP-atom11 TMP-atom17" order="1"/> <bond id="TMP-bond12" atomRefs="TMP-atom18 TMP-atom10" order="1"/> <bond id="TMP-bond13" atomRefs="TMP-atom10 TMP-atom12" order="1"/> <bond id="TMP-bond14" atomRefs="TMP-atom21 TMP-atom9" order="A"/> <bond id="TMP-bond15" atomRefs="TMP-atom9 TMP-atom14" order="A"/> <bond id="TMP-bond16" atomRefs="TMP-atom8 TMP-atom22" order="1"/> <bond id="TMP-bond17" atomRefs="TMP-atom7 TMP-atom22" order="1"/> <bond id="TMP-bond18" atomRefs="TMP-atom17 TMP-atom6" order="1"/> <bond id="TMP-bond19" atomRefs="TMP-atom5 TMP-atom22" order="2"/> <bond id="TMP-bond20" atomRefs="TMP-atom4 TMP-atom16" order="2"/> <bond id="TMP-bond21" atomRefs="TMP-atom3 TMP-atom15" order="2"/> <bond id="TMP-bond22" atomRefs="TMP-atom2 TMP-atom14" order="1"/> <bond id="TMP-bond23" atomRefs="TMP-atom1 TMP-atom20" order="1"/> <formula concise="C 10 H 15 N 2 O 8 P 1" formalCharge="0"/> 322.211 Cc1(cn(c(=O)[nH]c1=O)C2(OC(C(C2)O)COP(O)(O)=O))
<atom id="DUTP-atom1" elementType="H" x2="11.8408" y2="-7.018"/> <atom id="DUTP-atom2" elementType="O" x2="14.2163" y2="-8.3393"/> <atom id="DUTP-atom3" elementType="O" x2="11.8632" y2="-4.2602"/> <atom id="DUTP-atom4" elementType="O" x2="1.4325" y2="-3.3046"/> <atom id="DUTP-atom5" elementType="O" x2="6.8607" y2="-3.2697"/> <atom id="DUTP-atom6" elementType="O" x2="4.1487" y2="-3.2697"/> <atom id="DUTP-atom7" elementType="O" x2="10.1247" y2="0.0"/> <atom id="DUTP-atom8" elementType="O" x2="0.0" y2="-1.9047"/> <atom id="DUTP-atom9" elementType="O" x2="1.413" y2="-0.5087"/> <atom id="DUTP-atom10" elementType="O" x2="6.8566" y2="-0.5592"/> <atom id="DUTP-atom11" elementType="O" x2="4.1487" y2="-0.5592"/> <atom id="DUTP-atom12" elementType="C" x2="15.4089" y2="-6.3062"/> <atom id="DUTP-atom13" elementType="C" x2="15.4089" y2="-4.9358"/> <atom id="DUTP-atom14" elementType="C" x2="9.2266" y2="-2.8142"/> <atom id="DUTP-atom15" elementType="C" x2="12.2878" y2="-1.0936"/> <atom id="DUTP-atom16" elementType="O" x2="8.216" y2="-1.9115"/> <atom id="DUTP-atom17" elementType="O" x2="11.6028" y2="-3.1793"/> <atom id="DUTP-atom18" elementType="O" x2="2.7964" y2="-1.91"/> <atom id="DUTP-atom19" elementType="O" x2="5.504" y2="-1.9145"/> <atom id="DUTP-atom20" elementType="C" x2="14.22" y2="-6.9839"/> <atom id="DUTP-atom21" elementType="C" x2="13.0464" y2="-4.9358"/> <atom id="DUTP-atom22" elementType="C" x2="10.9252" y2="-1.0936"/> <atom id="DUTP-atom23" elementType="C" x2="10.5139" y2="-2.3903"/> <atom id="DUTP-atom24" elementType="C" x2="12.7068" y2="-2.3903"/> <atom id="DUTP-atom25" elementType="N" x2="13.0464" y2="-6.3062"/> <atom id="DUTP-atom26" elementType="N" x2="14.22" y2="-4.2433"/> <atom id="DUTP-atom27" elementType="P" x2="1.3982" y2="-1.9068"/> <atom id="DUTP-atom28" elementType="P" x2="6.8592" y2="-1.9145"/> <atom id="DUTP-atom29" elementType="P" x2="4.1487" y2="-1.9145"/> <bond id="DUTP-bond1" atomRefs="DUTP-atom24 DUTP-atom26" order="1"/> <bond id="DUTP-bond2" atomRefs="DUTP-atom22 DUTP-atom23" order="1"/> <bond id="DUTP-bond3" atomRefs="DUTP-atom21 DUTP-atom26" order="A"/> <bond id="DUTP-bond4" atomRefs="DUTP-atom25 DUTP-atom21" order="A"/> <bond id="DUTP-bond5" atomRefs="DUTP-atom20 DUTP-atom25" order="A"/> <bond id="DUTP-bond6" atomRefs="DUTP-atom19 DUTP-atom29" order="1"/> <bond id="DUTP-bond7" atomRefs="DUTP-atom19 DUTP-atom28" order="1"/> <bond id="DUTP-bond8" atomRefs="DUTP-atom18 DUTP-atom29" order="1"/> <bond id="DUTP-bond9" atomRefs="DUTP-atom18 DUTP-atom27" order="1"/> <bond id="DUTP-bond10" atomRefs="DUTP-atom17 DUTP-atom24" order="1"/> <bond id="DUTP-bond11" atomRefs="DUTP-atom17 DUTP-atom23" order="1"/> <bond id="DUTP-bond12" atomRefs="DUTP-atom16 DUTP-atom28" order="1"/> <bond id="DUTP-bond13" atomRefs="DUTP-atom15 DUTP-atom24" order="1"/> <bond id="DUTP-bond14" atomRefs="DUTP-atom15 DUTP-atom22" order="1"/> <bond id="DUTP-bond15" atomRefs="DUTP-atom23 DUTP-atom14" order="1"/> <bond id="DUTP-bond16" atomRefs="DUTP-atom14 DUTP-atom16" order="1"/> <bond id="DUTP-bond17" atomRefs="DUTP-atom26 DUTP-atom13" order="A"/> <bond id="DUTP-bond18" atomRefs="DUTP-atom12 DUTP-atom20" order="A"/> <bond id="DUTP-bond19" atomRefs="DUTP-atom13 DUTP-atom12" order="A"/> <bond id="DUTP-bond20" atomRefs="DUTP-atom11 DUTP-atom29" order="1"/> <bond id="DUTP-bond21" atomRefs="DUTP-atom10 DUTP-atom28" order="1"/> <bond id="DUTP-bond22" atomRefs="DUTP-atom9 DUTP-atom27" order="1"/> <bond id="DUTP-bond23" atomRefs="DUTP-atom8 DUTP-atom27" order="1"/> <bond id="DUTP-bond24" atomRefs="DUTP-atom22 DUTP-atom7" order="1"/> <bond id="DUTP-bond25" atomRefs="DUTP-atom6 DUTP-atom29" order="2"/> <bond id="DUTP-bond26" atomRefs="DUTP-atom5 DUTP-atom28" order="2"/> <bond id="DUTP-bond27" atomRefs="DUTP-atom4 DUTP-atom27" order="2"/> <bond id="DUTP-bond28" atomRefs="DUTP-atom3 DUTP-atom21" order="2"/> <bond id="DUTP-bond29" atomRefs="DUTP-atom2 DUTP-atom20" order="2"/> <bond id="DUTP-bond30" atomRefs="DUTP-atom1 DUTP-atom25" order="1"/> <formula concise="C 9 H 15 N 2 O 14 P 3" formalCharge="0"/> 468.144 c1(n(c(=O)[nH]c(c1)=O)C2(OC(C(C2)O)COP(=O)(O)OP(=O)(O)OP(O)(O)=O))
<atom id="DGMP-atom1" elementType="H" x2="2.8267" y2="-7.3592"/> <atom id="DGMP-atom2" elementType="N" x2="2.8595" y2="-4.6126"/> <atom id="DGMP-atom3" elementType="O" x2="5.1985" y2="-8.6738"/> <atom id="DGMP-atom4" elementType="O" x2="1.3581" y2="-3.4836"/> <atom id="DGMP-atom5" elementType="O" x2="4.8243" y2="0.0"/> <atom id="DGMP-atom6" elementType="O" x2="1.3354" y2="-0.7898"/> <atom id="DGMP-atom7" elementType="O" x2="0.0" y2="-2.133"/> <atom id="DGMP-atom8" elementType="C" x2="8.4781" y2="-5.9581"/> <atom id="DGMP-atom9" elementType="C" x2="3.8765" y2="-2.7974"/> <atom id="DGMP-atom10" elementType="C" x2="6.9556" y2="-1.099"/> <atom id="DGMP-atom11" elementType="N" x2="7.6864" y2="-7.0679"/> <atom id="DGMP-atom12" elementType="N" x2="5.2021" y2="-4.5919"/> <atom id="DGMP-atom13" elementType="O" x2="2.7011" y2="-2.133"/> <atom id="DGMP-atom14" elementType="O" x2="6.2478" y2="-3.1756"/> <atom id="DGMP-atom15" elementType="C" x2="4.0325" y2="-5.2823"/> <atom id="DGMP-atom16" elementType="C" x2="5.2021" y2="-7.3232"/> <atom id="DGMP-atom17" elementType="C" x2="6.3867" y2="-6.6478"/> <atom id="DGMP-atom18" elementType="C" x2="6.3867" y2="-5.2823"/> <atom id="DGMP-atom19" elementType="C" x2="5.5998" y2="-1.099"/> <atom id="DGMP-atom20" elementType="C" x2="5.1633" y2="-2.3879"/> <atom id="DGMP-atom21" elementType="C" x2="7.3645" y2="-2.3678"/> <atom id="DGMP-atom22" elementType="N" x2="4.0325" y2="-6.6478"/> <atom id="DGMP-atom23" elementType="N" x2="7.683" y2="-4.8698"/> <atom id="DGMP-atom24" elementType="P" x2="1.3506" y2="-2.133"/> <bond id="DGMP-bond1" atomRefs="DGMP-atom21 DGMP-atom23" order="1"/> <bond id="DGMP-bond2" atomRefs="DGMP-atom19 DGMP-atom20" order="1"/> <bond id="DGMP-bond3" atomRefs="DGMP-atom18 DGMP-atom23" order="A"/> <bond id="DGMP-bond4" atomRefs="DGMP-atom17 DGMP-atom18" order="A"/> <bond id="DGMP-bond5" atomRefs="DGMP-atom22 DGMP-atom16" order="A"/> <bond id="DGMP-bond6" atomRefs="DGMP-atom16 DGMP-atom17" order="A"/> <bond id="DGMP-bond7" atomRefs="DGMP-atom15 DGMP-atom22" order="A"/> <bond id="DGMP-bond8" atomRefs="DGMP-atom14 DGMP-atom21" order="1"/> <bond id="DGMP-bond9" atomRefs="DGMP-atom14 DGMP-atom20" order="1"/> <bond id="DGMP-bond10" atomRefs="DGMP-atom13 DGMP-atom24" order="1"/> <bond id="DGMP-bond11" atomRefs="DGMP-atom18 DGMP-atom12" order="A"/> <bond id="DGMP-bond12" atomRefs="DGMP-atom12 DGMP-atom15" order="A"/> <bond id="DGMP-bond13" atomRefs="DGMP-atom11 DGMP-atom17" order="A"/> <bond id="DGMP-bond14" atomRefs="DGMP-atom10 DGMP-atom21" order="1"/> <bond id="DGMP-bond15" atomRefs="DGMP-atom10 DGMP-atom19" order="1"/> <bond id="DGMP-bond16" atomRefs="DGMP-atom20 DGMP-atom9" order="1"/> <bond id="DGMP-bond17" atomRefs="DGMP-atom9 DGMP-atom13" order="1"/> <bond id="DGMP-bond18" atomRefs="DGMP-atom23 DGMP-atom8" order="A"/> <bond id="DGMP-bond19" atomRefs="DGMP-atom8 DGMP-atom11" order="A"/> <bond id="DGMP-bond20" atomRefs="DGMP-atom7 DGMP-atom24" order="1"/> <bond id="DGMP-bond21" atomRefs="DGMP-atom6 DGMP-atom24" order="1"/> <bond id="DGMP-bond22" atomRefs="DGMP-atom19 DGMP-atom5" order="1"/> <bond id="DGMP-bond23" atomRefs="DGMP-atom4 DGMP-atom24" order="2"/> <bond id="DGMP-bond24" atomRefs="DGMP-atom3 DGMP-atom16" order="2"/> <bond id="DGMP-bond25" atomRefs="DGMP-atom2 DGMP-atom15" order="1"/> <bond id="DGMP-bond26" atomRefs="DGMP-atom1 DGMP-atom22" order="1"/> <formula concise="C 10 H 14 N 5 O 7 P 1" formalCharge="0"/> 347.224 C(OP(O)(O)=O)C1(OC(CC1O)n2(c3(c(nc2)c(=O)[nH]c(n3)N)))
<atom id="GMP-atom1" elementType="N" x2="6.5643" y2="-3.9691"/> <atom id="GMP-atom2" elementType="O" x2="7.9852" y2="-6.4366"/> <atom id="GMP-atom3" elementType="O" x2="5.8184" y2="-3.0192"/> <atom id="GMP-atom4" elementType="O" x2="7.7945" y2="-1.0396"/> <atom id="GMP-atom5" elementType="O" x2="5.8159" y2="-1.3782"/> <atom id="GMP-atom6" elementType="C" x2="9.9778" y2="-4.7867"/> <atom id="GMP-atom7" elementType="C" x2="7.2508" y2="-2.7434"/> <atom id="GMP-atom8" elementType="N" x2="9.4969" y2="-5.4609"/> <atom id="GMP-atom9" elementType="N" x2="7.9875" y2="-3.9567"/> <atom id="GMP-atom10" elementType="O" x2="6.6389" y2="-2.1969"/> <atom id="GMP-atom11" elementType="O" x2="8.6893" y2="-2.9645"/> <atom id="GMP-atom12" elementType="C" x2="7.2769" y2="-4.3761"/> <atom id="GMP-atom13" elementType="C" x2="7.9875" y2="-5.6161"/> <atom id="GMP-atom14" elementType="C" x2="8.7072" y2="-5.2058"/> <atom id="GMP-atom15" elementType="C" x2="8.7072" y2="-4.3761"/> <atom id="GMP-atom16" elementType="C" x2="8.0301" y2="-2.4868"/> <atom id="GMP-atom17" elementType="C" x2="8.2791" y2="-1.7017"/> <atom id="GMP-atom18" elementType="C" x2="9.1041" y2="-1.7017"/> <atom id="GMP-atom19" elementType="C" x2="9.3578" y2="-2.4868"/> <atom id="GMP-atom20" elementType="N" x2="7.2769" y2="-5.2058"/> <atom id="GMP-atom21" elementType="N" x2="9.4949" y2="-4.1282"/> <atom id="GMP-atom22" elementType="P" x2="5.8175" y2="-2.1987"/> <atom id="GMP-atom23" elementType="O" x2="4.9925" y2="-2.1999"/> <atom id="GMP-atom24" elementType="O" x2="9.5896" y2="-1.0347"/> <atom id="GMP-atom25" elementType="H" x2="6.5624" y2="-5.6183"/> <bond id="GMP-bond1" atomRefs="GMP-atom20 GMP-atom25" order="1"/> <bond id="GMP-bond2" atomRefs="GMP-atom19 GMP-atom21" order="1"/> <bond id="GMP-bond3" atomRefs="GMP-atom18 GMP-atom19" order="1"/> <bond id="GMP-bond4" atomRefs="GMP-atom17 GMP-atom18" order="1"/> <bond id="GMP-bond5" atomRefs="GMP-atom16 GMP-atom17" order="1"/> <bond id="GMP-bond6" atomRefs="GMP-atom15 GMP-atom21" order="A"/> <bond id="GMP-bond7" atomRefs="GMP-atom14 GMP-atom15" order="A"/> <bond id="GMP-bond8" atomRefs="GMP-atom20 GMP-atom13" order="A"/> <bond id="GMP-bond9" atomRefs="GMP-atom13 GMP-atom14" order="A"/> <bond id="GMP-bond10" atomRefs="GMP-atom12 GMP-atom20" order="A"/> <bond id="GMP-bond11" atomRefs="GMP-atom11 GMP-atom19" order="1"/> <bond id="GMP-bond12" atomRefs="GMP-atom11 GMP-atom16" order="1"/> <bond id="GMP-bond13" atomRefs="GMP-atom10 GMP-atom22" order="1"/> <bond id="GMP-bond14" atomRefs="GMP-atom15 GMP-atom9" order="A"/> <bond id="GMP-bond15" atomRefs="GMP-atom9 GMP-atom12" order="A"/> <bond id="GMP-bond16" atomRefs="GMP-atom8 GMP-atom14" order="A"/> <bond id="GMP-bond17" atomRefs="GMP-atom16 GMP-atom7" order="1"/> <bond id="GMP-bond18" atomRefs="GMP-atom7 GMP-atom10" order="1"/> <bond id="GMP-bond19" atomRefs="GMP-atom21 GMP-atom6" order="A"/> <bond id="GMP-bond20" atomRefs="GMP-atom6 GMP-atom8" order="A"/> <bond id="GMP-bond21" atomRefs="GMP-atom5 GMP-atom22" order="1"/> <bond id="GMP-bond22" atomRefs="GMP-atom17 GMP-atom4" order="1"/> <bond id="GMP-bond23" atomRefs="GMP-atom3 GMP-atom22" order="2"/> <bond id="GMP-bond24" atomRefs="GMP-atom2 GMP-atom13" order="2"/> <bond id="GMP-bond25" atomRefs="GMP-atom1 GMP-atom12" order="1"/> <bond id="GMP-bond26" atomRefs="GMP-atom22 GMP-atom23" order="1"/> <bond id="GMP-bond27" atomRefs="GMP-atom18 GMP-atom24" order="1"/> <formula concise="C 10 H 14 N 5 O 8 P 1" formalCharge="-2"/> 363.223 C(OP(=O)(O)O)C1(OC(C(O)C1O)n2(c3(c(nc2)c(=O)[nH]c(n3)N)))
<cml> <molecule id="Ribonucleoside-Triphosphates" title="a ribonucleoside triphosphate" dictRef="dictRibonucleoside-Triphosphates"> <atomArray> <atom id="Ribonucleoside-Triphosphates-atom1" elementType="O" x2="1.4081" y2="-1.1967"/> <atom id="Ribonucleoside-Triphosphates-atom2" elementType="O" x2="7.0061" y2="-1.1913"/> <atom id="Ribonucleoside-Triphosphates-atom3" elementType="O" x2="4.2081" y2="-1.1967"/> <atom id="Ribonucleoside-Triphosphates-atom4" elementType="O" x2="13.3413" y2="0.0"/> <atom id="Ribonucleoside-Triphosphates-atom5" elementType="O" x2="10.5516" y2="-0.0541"/> <atom id="Ribonucleoside-Triphosphates-atom6" elementType="O" x2="1.4058" y2="-3.9967"/> <atom id="Ribonucleoside-Triphosphates-atom7" elementType="O" x2="0.0" y2="-2.5967"/> <atom id="Ribonucleoside-Triphosphates-atom8" elementType="O" x2="7.0373" y2="-3.9908"/> <atom id="Ribonucleoside-Triphosphates-atom9" elementType="O" x2="4.2061" y2="-3.9966"/> <atom id="Ribonucleoside-Triphosphates-atom10" elementType="R" x2="14.4579" y2="-3.0054"/> <atom id="Ribonucleoside-Triphosphates-atom11" elementType="C" x2="9.6322" y2="-3.2433"/> <atom id="Ribonucleoside-Triphosphates-atom12" elementType="O" x2="8.3999" y2="-2.5788"/> <atom id="Ribonucleoside-Triphosphates-atom13" elementType="O" x2="11.9938" y2="-3.3956"/> <atom id="Ribonucleoside-Triphosphates-atom14" elementType="O" x2="2.8" y2="-2.5967"/> <atom id="Ribonucleoside-Triphosphates-atom15" elementType="O" x2="5.6" y2="-2.5957"/> <atom id="Ribonucleoside-Triphosphates-atom16" elementType="C" x2="12.6938" y2="-1.2413"/> <atom id="Ribonucleoside-Triphosphates-atom17" elementType="C" x2="11.2938" y2="-1.2413"/> <atom id="Ribonucleoside-Triphosphates-atom18" elementType="C" x2="13.1264" y2="-2.5727"/> <atom id="Ribonucleoside-Triphosphates-atom19" elementType="C" x2="10.8612" y2="-2.5727"/> <atom id="Ribonucleoside-Triphosphates-atom20" elementType="P" x2="1.4" y2="-2.5967"/> <atom id="Ribonucleoside-Triphosphates-atom21" elementType="P" x2="7.0" y2="-2.5913"/> <atom id="Ribonucleoside-Triphosphates-atom22" elementType="P" x2="4.2" y2="-2.5967"/> </atomArray> <bondArray> <bond id="Ribonucleoside-Triphosphates-bond1" atomRefs="Ribonucleoside-Triphosphates-atom17 Ribonucleoside-Triphosphates-atom19" order="1"/> <bond id="Ribonucleoside-Triphosphates-bond2" atomRefs="Ribonucleoside-Triphosphates-atom16 Ribonucleoside-Triphosphates-atom18" order="1"/> <bond id="Ribonucleoside-Triphosphates-bond3" atomRefs="Ribonucleoside-Triphosphates-atom16 Ribonucleoside-Triphosphates-atom17" order="1"/> <bond id="Ribonucleoside-Triphosphates-bond4" atomRefs="Ribonucleoside-Triphosphates-atom15 Ribonucleoside-Triphosphates-atom22" order="1"/> <bond id="Ribonucleoside-Triphosphates-bond5" atomRefs="Ribonucleoside-Triphosphates-atom15 Ribonucleoside-Triphosphates-atom21" order="1"/> <bond id="Ribonucleoside-Triphosphates-bond6" atomRefs="Ribonucleoside-Triphosphates-atom14 Ribonucleoside-Triphosphates-atom22" order="1"/> <bond id="Ribonucleoside-Triphosphates-bond7" atomRefs="Ribonucleoside-Triphosphates-atom14 Ribonucleoside-Triphosphates-atom20" order="1"/> <bond id="Ribonucleoside-Triphosphates-bond8" atomRefs="Ribonucleoside-Triphosphates-atom13 Ribonucleoside-Triphosphates-atom19" order="1"/> <bond id="Ribonucleoside-Triphosphates-bond9" atomRefs="Ribonucleoside-Triphosphates-atom13 Ribonucleoside-Triphosphates-atom18" order="1"/> <bond id="Ribonucleoside-Triphosphates-bond10" atomRefs="Ribonucleoside-Triphosphates-atom12 Ribonucleoside-Triphosphates-atom21" order="1"/> <bond id="Ribonucleoside-Triphosphates-bond11" atomRefs="Ribonucleoside-Triphosphates-atom19 Ribonucleoside-Triphosphates-atom11" order="1"/> <bond id="Ribonucleoside-Triphosphates-bond12" atomRefs="Ribonucleoside-Triphosphates-atom11 Ribonucleoside-Triphosphates-atom12" order="1"/> <bond id="Ribonucleoside-Triphosphates-bond13" atomRefs="Ribonucleoside-Triphosphates-atom18 Ribonucleoside-Triphosphates-atom10" order="1"/> <bond id="Ribonucleoside-Triphosphates-bond14" atomRefs="Ribonucleoside-Triphosphates-atom9 Ribonucleoside-Triphosphates-atom22" order="1"/> <bond id="Ribonucleoside-Triphosphates-bond15" atomRefs="Ribonucleoside-Triphosphates-atom8 Ribonucleoside-Triphosphates-atom21" order="1"/> <bond id="Ribonucleoside-Triphosphates-bond16" atomRefs="Ribonucleoside-Triphosphates-atom7 Ribonucleoside-Triphosphates-atom20" order="1"/> <bond id="Ribonucleoside-Triphosphates-bond17" atomRefs="Ribonucleoside-Triphosphates-atom6 Ribonucleoside-Triphosphates-atom20" order="1"/> <bond id="Ribonucleoside-Triphosphates-bond18" atomRefs="Ribonucleoside-Triphosphates-atom17 Ribonucleoside-Triphosphates-atom5" order="1"/> <bond id="Ribonucleoside-Triphosphates-bond19" atomRefs="Ribonucleoside-Triphosphates-atom16 Ribonucleoside-Triphosphates-atom4" order="1"/> <bond id="Ribonucleoside-Triphosphates-bond20" atomRefs="Ribonucleoside-Triphosphates-atom3 Ribonucleoside-Triphosphates-atom22" order="2"/> <bond id="Ribonucleoside-Triphosphates-bond21" atomRefs="Ribonucleoside-Triphosphates-atom2 Ribonucleoside-Triphosphates-atom21" order="2"/> <bond id="Ribonucleoside-Triphosphates-bond22" atomRefs="Ribonucleoside-Triphosphates-atom1 Ribonucleoside-Triphosphates-atom20" order="2"/> </bondArray> <formula concise="C 5 H 12 O 13 R 1 P 3" formalCharge="0"/> </molecule> </cml>
Nucleoside 5'-diphosphate phosphotransferase
<atom id="UTP-atom1" elementType="H" x2="11.9518" y2="-7.0884"/> <atom id="UTP-atom2" elementType="O" x2="14.3416" y2="-8.4304"/> <atom id="UTP-atom3" elementType="O" x2="11.9633" y2="-4.3079"/> <atom id="UTP-atom4" elementType="O" x2="1.4238" y2="-3.3562"/> <atom id="UTP-atom5" elementType="O" x2="6.9075" y2="-3.3068"/> <atom id="UTP-atom6" elementType="O" x2="4.1666" y2="-3.3068"/> <atom id="UTP-atom7" elementType="O" x2="10.2063" y2="-0.0022"/> <atom id="UTP-atom8" elementType="O" x2="13.1986" y2="0.0"/> <atom id="UTP-atom9" elementType="O" x2="1.3762" y2="-0.5566"/> <atom id="UTP-atom10" elementType="O" x2="0.0" y2="-1.947"/> <atom id="UTP-atom11" elementType="O" x2="6.9034" y2="-0.5674"/> <atom id="UTP-atom12" elementType="O" x2="4.1666" y2="-0.5674"/> <atom id="UTP-atom13" elementType="C" x2="15.5469" y2="-6.3757"/> <atom id="UTP-atom14" elementType="C" x2="15.5469" y2="-4.9907"/> <atom id="UTP-atom15" elementType="C" x2="9.2987" y2="-2.8464"/> <atom id="UTP-atom16" elementType="O" x2="8.2772" y2="-1.9341"/> <atom id="UTP-atom17" elementType="O" x2="11.7001" y2="-3.2155"/> <atom id="UTP-atom18" elementType="O" x2="2.7998" y2="-1.9326"/> <atom id="UTP-atom19" elementType="O" x2="5.5363" y2="-1.9371"/> <atom id="UTP-atom20" elementType="C" x2="14.3453" y2="-7.0607"/> <atom id="UTP-atom21" elementType="C" x2="13.1592" y2="-4.9907"/> <atom id="UTP-atom22" elementType="C" x2="11.0153" y2="-1.1074"/> <atom id="UTP-atom23" elementType="C" x2="12.3925" y2="-1.1074"/> <atom id="UTP-atom24" elementType="C" x2="10.5996" y2="-2.4181"/> <atom id="UTP-atom25" elementType="C" x2="12.816" y2="-2.4181"/> <atom id="UTP-atom26" elementType="N" x2="13.1592" y2="-6.3757"/> <atom id="UTP-atom27" elementType="N" x2="14.3453" y2="-4.2907"/> <atom id="UTP-atom28" elementType="P" x2="1.4" y2="-1.9564"/> <atom id="UTP-atom29" elementType="P" x2="6.906" y2="-1.9371"/> <atom id="UTP-atom30" elementType="P" x2="4.1666" y2="-1.9371"/> <bond id="UTP-bond1" atomRefs="UTP-atom25 UTP-atom27" order="1"/> <bond id="UTP-bond2" atomRefs="UTP-atom23 UTP-atom25" order="1"/> <bond id="UTP-bond3" atomRefs="UTP-atom22 UTP-atom24" order="1"/> <bond id="UTP-bond4" atomRefs="UTP-atom22 UTP-atom23" order="1"/> <bond id="UTP-bond5" atomRefs="UTP-atom21 UTP-atom27" order="A"/> <bond id="UTP-bond6" atomRefs="UTP-atom26 UTP-atom21" order="A"/> <bond id="UTP-bond7" atomRefs="UTP-atom20 UTP-atom26" order="A"/> <bond id="UTP-bond8" atomRefs="UTP-atom19 UTP-atom30" order="1"/> <bond id="UTP-bond9" atomRefs="UTP-atom19 UTP-atom29" order="1"/> <bond id="UTP-bond10" atomRefs="UTP-atom18 UTP-atom30" order="1"/> <bond id="UTP-bond11" atomRefs="UTP-atom18 UTP-atom28" order="1"/> <bond id="UTP-bond12" atomRefs="UTP-atom17 UTP-atom25" order="1"/> <bond id="UTP-bond13" atomRefs="UTP-atom17 UTP-atom24" order="1"/> <bond id="UTP-bond14" atomRefs="UTP-atom16 UTP-atom29" order="1"/> <bond id="UTP-bond15" atomRefs="UTP-atom24 UTP-atom15" order="1"/> <bond id="UTP-bond16" atomRefs="UTP-atom15 UTP-atom16" order="1"/> <bond id="UTP-bond17" atomRefs="UTP-atom27 UTP-atom14" order="A"/> <bond id="UTP-bond18" atomRefs="UTP-atom13 UTP-atom20" order="A"/> <bond id="UTP-bond19" atomRefs="UTP-atom14 UTP-atom13" order="A"/> <bond id="UTP-bond20" atomRefs="UTP-atom12 UTP-atom30" order="1"/> <bond id="UTP-bond21" atomRefs="UTP-atom11 UTP-atom29" order="1"/> <bond id="UTP-bond22" atomRefs="UTP-atom10 UTP-atom28" order="1"/> <bond id="UTP-bond23" atomRefs="UTP-atom9 UTP-atom28" order="1"/> <bond id="UTP-bond24" atomRefs="UTP-atom23 UTP-atom8" order="1"/> <bond id="UTP-bond25" atomRefs="UTP-atom22 UTP-atom7" order="1"/> <bond id="UTP-bond26" atomRefs="UTP-atom6 UTP-atom30" order="2"/> <bond id="UTP-bond27" atomRefs="UTP-atom5 UTP-atom29" order="2"/> <bond id="UTP-bond28" atomRefs="UTP-atom4 UTP-atom28" order="2"/> <bond id="UTP-bond29" atomRefs="UTP-atom3 UTP-atom21" order="2"/> <bond id="UTP-bond30" atomRefs="UTP-atom2 UTP-atom20" order="2"/> <bond id="UTP-bond31" atomRefs="UTP-atom1 UTP-atom26" order="1"/> <formula concise="C 9 H 15 N 2 O 15 P 3" formalCharge="0"/> 484.143 c1(n(c(=O)[nH]c(c1)=O)C2(OC(C(O)C2O)COP(=O)(O)OP(=O)(O)OP(O)(O)=O))
guanosine 3'-diphosphate 5'-triphosphate
<atom id="GDP-TP-atom1" elementType="H" x2="7.161" y2="-10.2059"/> <atom id="GDP-TP-atom2" elementType="N" x2="7.2145" y2="-7.4949"/> <atom id="GDP-TP-atom3" elementType="O" x2="9.512" y2="-11.4846"/> <atom id="GDP-TP-atom4" elementType="O" x2="7.1568" y2="-0.1106"/> <atom id="GDP-TP-atom5" elementType="O" x2="1.3281" y2="-6.3787"/> <atom id="GDP-TP-atom6" elementType="O" x2="6.6503" y2="-6.3639"/> <atom id="GDP-TP-atom7" elementType="O" x2="9.8621" y2="0.0"/> <atom id="GDP-TP-atom8" elementType="O" x2="3.9892" y2="-6.3713"/> <atom id="GDP-TP-atom9" elementType="O" x2="12.6467" y2="-3.3128"/> <atom id="GDP-TP-atom10" elementType="O" x2="5.8455" y2="-1.4891"/> <atom id="GDP-TP-atom11" elementType="O" x2="7.1736" y2="-2.811"/> <atom id="GDP-TP-atom12" elementType="O" x2="1.3255" y2="-3.6568"/> <atom id="GDP-TP-atom13" elementType="O" x2="0.0" y2="-5.0568"/> <atom id="GDP-TP-atom14" elementType="O" x2="6.6335" y2="-3.5899"/> <atom id="GDP-TP-atom15" elementType="O" x2="11.1676" y2="-1.4795"/> <atom id="GDP-TP-atom16" elementType="O" x2="3.9724" y2="-3.7151"/> <atom id="GDP-TP-atom17" elementType="C" x2="13.0018" y2="-9.4943"/> <atom id="GDP-TP-atom18" elementType="C" x2="8.9195" y2="-5.9708"/> <atom id="GDP-TP-atom19" elementType="N" x2="11.8407" y2="-10.1692"/> <atom id="GDP-TP-atom20" elementType="N" x2="9.5157" y2="-7.4745"/> <atom id="GDP-TP-atom21" elementType="O" x2="7.9831" y2="-5.0399"/> <atom id="GDP-TP-atom22" elementType="O" x2="11.1654" y2="-6.4201"/> <atom id="GDP-TP-atom23" elementType="O" x2="9.8347" y2="-2.8035"/> <atom id="GDP-TP-atom24" elementType="O" x2="8.5066" y2="-1.4816"/> <atom id="GDP-TP-atom25" elementType="O" x2="2.6609" y2="-5.0547"/> <atom id="GDP-TP-atom26" elementType="O" x2="5.322" y2="-5.0473"/> <atom id="GDP-TP-atom27" elementType="C" x2="8.3667" y2="-8.1528"/> <atom id="GDP-TP-atom28" elementType="C" x2="9.5157" y2="-10.1577"/> <atom id="GDP-TP-atom29" elementType="C" x2="10.6795" y2="-9.4943"/> <atom id="GDP-TP-atom30" elementType="C" x2="10.6795" y2="-8.1528"/> <atom id="GDP-TP-atom31" elementType="C" x2="10.1075" y2="-5.6461"/> <atom id="GDP-TP-atom32" elementType="C" x2="11.8681" y2="-4.38"/> <atom id="GDP-TP-atom33" elementType="C" x2="10.5213" y2="-4.38"/> <atom id="GDP-TP-atom34" elementType="C" x2="12.2552" y2="-5.6267"/> <atom id="GDP-TP-atom35" elementType="N" x2="8.3667" y2="-9.4943"/> <atom id="GDP-TP-atom36" elementType="N" x2="13.0018" y2="-8.1528"/> <atom id="GDP-TP-atom37" elementType="P" x2="7.1724" y2="-1.4891"/> <atom id="GDP-TP-atom38" elementType="P" x2="1.3268" y2="-5.0568"/> <atom id="GDP-TP-atom39" elementType="P" x2="6.649" y2="-5.042"/> <atom id="GDP-TP-atom40" elementType="P" x2="9.8335" y2="-1.4816"/> <atom id="GDP-TP-atom41" elementType="P" x2="3.9879" y2="-5.0494"/> <bond id="GDP-TP-bond1" atomRefs="GDP-TP-atom34 GDP-TP-atom36" order="1"/> <bond id="GDP-TP-bond2" atomRefs="GDP-TP-atom32 GDP-TP-atom34" order="1"/> <bond id="GDP-TP-bond3" atomRefs="GDP-TP-atom32 GDP-TP-atom33" order="1"/> <bond id="GDP-TP-bond4" atomRefs="GDP-TP-atom31 GDP-TP-atom33" order="1"/> <bond id="GDP-TP-bond5" atomRefs="GDP-TP-atom30 GDP-TP-atom36" order="A"/> <bond id="GDP-TP-bond6" atomRefs="GDP-TP-atom29 GDP-TP-atom30" order="A"/> <bond id="GDP-TP-bond7" atomRefs="GDP-TP-atom35 GDP-TP-atom28" order="A"/> <bond id="GDP-TP-bond8" atomRefs="GDP-TP-atom28 GDP-TP-atom29" order="A"/> <bond id="GDP-TP-bond9" atomRefs="GDP-TP-atom27 GDP-TP-atom35" order="A"/> <bond id="GDP-TP-bond10" atomRefs="GDP-TP-atom26 GDP-TP-atom41" order="1"/> <bond id="GDP-TP-bond11" atomRefs="GDP-TP-atom26 GDP-TP-atom39" order="1"/> <bond id="GDP-TP-bond12" atomRefs="GDP-TP-atom25 GDP-TP-atom41" order="1"/> <bond id="GDP-TP-bond13" atomRefs="GDP-TP-atom25 GDP-TP-atom38" order="1"/> <bond id="GDP-TP-bond14" atomRefs="GDP-TP-atom24 GDP-TP-atom40" order="1"/> <bond id="GDP-TP-bond15" atomRefs="GDP-TP-atom24 GDP-TP-atom37" order="1"/> <bond id="GDP-TP-bond16" atomRefs="GDP-TP-atom23 GDP-TP-atom40" order="1"/> <bond id="GDP-TP-bond17" atomRefs="GDP-TP-atom33 GDP-TP-atom23" order="1"/> <bond id="GDP-TP-bond18" atomRefs="GDP-TP-atom22 GDP-TP-atom34" order="1"/> <bond id="GDP-TP-bond19" atomRefs="GDP-TP-atom22 GDP-TP-atom31" order="1"/> <bond id="GDP-TP-bond20" atomRefs="GDP-TP-atom21 GDP-TP-atom39" order="1"/> <bond id="GDP-TP-bond21" atomRefs="GDP-TP-atom30 GDP-TP-atom20" order="A"/> <bond id="GDP-TP-bond22" atomRefs="GDP-TP-atom20 GDP-TP-atom27" order="A"/> <bond id="GDP-TP-bond23" atomRefs="GDP-TP-atom19 GDP-TP-atom29" order="A"/> <bond id="GDP-TP-bond24" atomRefs="GDP-TP-atom31 GDP-TP-atom18" order="1"/> <bond id="GDP-TP-bond25" atomRefs="GDP-TP-atom18 GDP-TP-atom21" order="1"/> <bond id="GDP-TP-bond26" atomRefs="GDP-TP-atom36 GDP-TP-atom17" order="A"/> <bond id="GDP-TP-bond27" atomRefs="GDP-TP-atom17 GDP-TP-atom19" order="A"/> <bond id="GDP-TP-bond28" atomRefs="GDP-TP-atom16 GDP-TP-atom41" order="1"/> <bond id="GDP-TP-bond29" atomRefs="GDP-TP-atom15 GDP-TP-atom40" order="1"/> <bond id="GDP-TP-bond30" atomRefs="GDP-TP-atom14 GDP-TP-atom39" order="1"/> <bond id="GDP-TP-bond31" atomRefs="GDP-TP-atom13 GDP-TP-atom38" order="1"/> <bond id="GDP-TP-bond32" atomRefs="GDP-TP-atom12 GDP-TP-atom38" order="1"/> <bond id="GDP-TP-bond33" atomRefs="GDP-TP-atom11 GDP-TP-atom37" order="1"/> <bond id="GDP-TP-bond34" atomRefs="GDP-TP-atom10 GDP-TP-atom37" order="1"/> <bond id="GDP-TP-bond35" atomRefs="GDP-TP-atom32 GDP-TP-atom9" order="1"/> <bond id="GDP-TP-bond36" atomRefs="GDP-TP-atom8 GDP-TP-atom41" order="2"/> <bond id="GDP-TP-bond37" atomRefs="GDP-TP-atom7 GDP-TP-atom40" order="2"/> <bond id="GDP-TP-bond38" atomRefs="GDP-TP-atom6 GDP-TP-atom39" order="2"/> <bond id="GDP-TP-bond39" atomRefs="GDP-TP-atom5 GDP-TP-atom38" order="2"/> <bond id="GDP-TP-bond40" atomRefs="GDP-TP-atom4 GDP-TP-atom37" order="2"/> <bond id="GDP-TP-bond41" atomRefs="GDP-TP-atom3 GDP-TP-atom28" order="2"/> <bond id="GDP-TP-bond42" atomRefs="GDP-TP-atom2 GDP-TP-atom27" order="1"/> <bond id="GDP-TP-bond43" atomRefs="GDP-TP-atom1 GDP-TP-atom35" order="1"/> <formula concise="C 10 H 18 N 5 O 20 P 5" formalCharge="0"/> 683.142 C(OP(=O)(O)OP(=O)(O)OP(O)(O)=O)C1(OC(C(O)C1OP(=O)(O)OP(O)(O)=O)n2(c3(c(nc2)c(=O)[nH]c(n3)N)))
guanosine 5'-triphosphate,3'-diphosphate
<atom id="MANNOSE-1P-atom1" elementType="O" x2="6.2497" y2="-5.6"/> <atom id="MANNOSE-1P-atom2" elementType="O" x2="0.0" y2="-5.6"/> <atom id="MANNOSE-1P-atom3" elementType="O" x2="2.4249" y2="0.0"/> <atom id="MANNOSE-1P-atom4" elementType="O" x2="0.0" y2="-1.4"/> <atom id="MANNOSE-1P-atom5" elementType="O" x2="4.8497" y2="-1.4"/> <atom id="MANNOSE-1P-atom6" elementType="O" x2="6.2497" y2="-2.8"/> <atom id="MANNOSE-1P-atom7" elementType="O" x2="7.6497" y2="-4.2"/> <atom id="MANNOSE-1P-atom8" elementType="C" x2="0.0" y2="-4.2"/> <atom id="MANNOSE-1P-atom9" elementType="O" x2="2.4249" y2="-4.2"/> <atom id="MANNOSE-1P-atom10" elementType="O" x2="4.8497" y2="-4.2"/> <atom id="MANNOSE-1P-atom11" elementType="C" x2="2.4249" y2="-1.4"/> <atom id="MANNOSE-1P-atom12" elementType="C" x2="1.2124" y2="-2.1"/> <atom id="MANNOSE-1P-atom13" elementType="C" x2="3.6373" y2="-2.1"/> <atom id="MANNOSE-1P-atom14" elementType="C" x2="1.2124" y2="-3.5"/> <atom id="MANNOSE-1P-atom15" elementType="C" x2="3.6373" y2="-3.5"/> <atom id="MANNOSE-1P-atom16" elementType="P" x2="6.2497" y2="-4.2"/> <bond id="MANNOSE-1P-bond1" atomRefs="MANNOSE-1P-atom13 MANNOSE-1P-atom15" order="1"/> <bond id="MANNOSE-1P-bond2" atomRefs="MANNOSE-1P-atom12 MANNOSE-1P-atom14" order="1"/> <bond id="MANNOSE-1P-bond3" atomRefs="MANNOSE-1P-atom11 MANNOSE-1P-atom13" order="1"/> <bond id="MANNOSE-1P-bond4" atomRefs="MANNOSE-1P-atom11 MANNOSE-1P-atom12" order="1"/> <bond id="MANNOSE-1P-bond5" atomRefs="MANNOSE-1P-atom10 MANNOSE-1P-atom16" order="1"/> <bond id="MANNOSE-1P-bond6" atomRefs="MANNOSE-1P-atom15 MANNOSE-1P-atom10" order="1"/> <bond id="MANNOSE-1P-bond7" atomRefs="MANNOSE-1P-atom9 MANNOSE-1P-atom15" order="1"/> <bond id="MANNOSE-1P-bond8" atomRefs="MANNOSE-1P-atom9 MANNOSE-1P-atom14" order="1"/> <bond id="MANNOSE-1P-bond9" atomRefs="MANNOSE-1P-atom14 MANNOSE-1P-atom8" order="1"/> <bond id="MANNOSE-1P-bond10" atomRefs="MANNOSE-1P-atom7 MANNOSE-1P-atom16" order="1"/> <bond id="MANNOSE-1P-bond11" atomRefs="MANNOSE-1P-atom6 MANNOSE-1P-atom16" order="1"/> <bond id="MANNOSE-1P-bond12" atomRefs="MANNOSE-1P-atom13 MANNOSE-1P-atom5" order="1"/> <bond id="MANNOSE-1P-bond13" atomRefs="MANNOSE-1P-atom12 MANNOSE-1P-atom4" order="1"/> <bond id="MANNOSE-1P-bond14" atomRefs="MANNOSE-1P-atom11 MANNOSE-1P-atom3" order="1"/> <bond id="MANNOSE-1P-bond15" atomRefs="MANNOSE-1P-atom2 MANNOSE-1P-atom8" order="1"/> <bond id="MANNOSE-1P-bond16" atomRefs="MANNOSE-1P-atom1 MANNOSE-1P-atom16" order="2"/> <formula concise="C 6 H 13 O 9 P 1" formalCharge="0"/> 260.137 C(O)C1(OC(OP(O)(O)=O)C(O)C(O)C1O)
<atom id="GDP-MANNOSE-atom1" elementType="H" x2="7.3618" y2="-5.756"/> <atom id="GDP-MANNOSE-atom2" elementType="N" x2="7.3763" y2="-4.0891"/> <atom id="GDP-MANNOSE-atom3" elementType="O" x2="8.7982" y2="-6.5587"/> <atom id="GDP-MANNOSE-atom4" elementType="O" x2="6.0119" y2="-3.3834"/> <atom id="GDP-MANNOSE-atom5" elementType="O" x2="4.3687" y2="-3.3834"/> <atom id="GDP-MANNOSE-atom6" elementType="O" x2="0.0" y2="-2.0625"/> <atom id="GDP-MANNOSE-atom7" elementType="O" x2="0.7145" y2="-0.8249"/> <atom id="GDP-MANNOSE-atom8" elementType="O" x2="7.9896" y2="-1.4021"/> <atom id="GDP-MANNOSE-atom9" elementType="O" x2="2.1434" y2="0.0"/> <atom id="GDP-MANNOSE-atom10" elementType="O" x2="3.5724" y2="-0.8249"/> <atom id="GDP-MANNOSE-atom11" elementType="O" x2="9.7863" y2="-1.3972"/> <atom id="GDP-MANNOSE-atom12" elementType="O" x2="6.0094" y2="-1.7411"/> <atom id="GDP-MANNOSE-atom13" elementType="O" x2="4.3687" y2="-1.7411"/> <atom id="GDP-MANNOSE-atom14" elementType="C" x2="10.7925" y2="-4.9074"/> <atom id="GDP-MANNOSE-atom15" elementType="C" x2="0.7145" y2="-2.475"/> <atom id="GDP-MANNOSE-atom16" elementType="C" x2="7.4455" y2="-3.1073"/> <atom id="GDP-MANNOSE-atom17" elementType="N" x2="10.3112" y2="-5.5823"/> <atom id="GDP-MANNOSE-atom18" elementType="N" x2="8.8006" y2="-4.0767"/> <atom id="GDP-MANNOSE-atom19" elementType="O" x2="6.8331" y2="-2.5605"/> <atom id="GDP-MANNOSE-atom20" elementType="O" x2="2.1434" y2="-2.475"/> <atom id="GDP-MANNOSE-atom21" elementType="O" x2="8.8852" y2="-3.3287"/> <atom id="GDP-MANNOSE-atom22" elementType="O" x2="3.5493" y2="-2.5596"/> <atom id="GDP-MANNOSE-atom23" elementType="O" x2="5.1898" y2="-2.5623"/> <atom id="GDP-MANNOSE-atom24" elementType="C" x2="8.0894" y2="-4.4965"/> <atom id="GDP-MANNOSE-atom25" elementType="C" x2="8.8006" y2="-5.7375"/> <atom id="GDP-MANNOSE-atom26" elementType="C" x2="9.5208" y2="-5.3268"/> <atom id="GDP-MANNOSE-atom27" elementType="C" x2="9.5208" y2="-4.4965"/> <atom id="GDP-MANNOSE-atom28" elementType="C" x2="1.4289" y2="-2.0625"/> <atom id="GDP-MANNOSE-atom29" elementType="C" x2="8.2255" y2="-2.8505"/> <atom id="GDP-MANNOSE-atom30" elementType="C" x2="1.4289" y2="-1.2375"/> <atom id="GDP-MANNOSE-atom31" elementType="C" x2="8.4746" y2="-2.0649"/> <atom id="GDP-MANNOSE-atom32" elementType="C" x2="2.1434" y2="-0.8249"/> <atom id="GDP-MANNOSE-atom33" elementType="C" x2="2.8578" y2="-1.2375"/> <atom id="GDP-MANNOSE-atom34" elementType="C" x2="9.3004" y2="-2.0649"/> <atom id="GDP-MANNOSE-atom35" elementType="C" x2="2.8578" y2="-2.0625"/> <atom id="GDP-MANNOSE-atom36" elementType="C" x2="9.5541" y2="-2.8505"/> <atom id="GDP-MANNOSE-atom37" elementType="N" x2="8.0894" y2="-5.3268"/> <atom id="GDP-MANNOSE-atom38" elementType="N" x2="10.3091" y2="-4.2483"/> <atom id="GDP-MANNOSE-atom39" elementType="P" x2="6.011" y2="-2.5623"/> <atom id="GDP-MANNOSE-atom40" elementType="P" x2="4.3687" y2="-2.5623"/> <bond id="GDP-MANNOSE-bond1" atomRefs="GDP-MANNOSE-atom1 GDP-MANNOSE-atom37" order="1"/> <bond id="GDP-MANNOSE-bond2" atomRefs="GDP-MANNOSE-atom2 GDP-MANNOSE-atom24" order="1"/> <bond id="GDP-MANNOSE-bond3" atomRefs="GDP-MANNOSE-atom3 GDP-MANNOSE-atom25" order="2"/> <bond id="GDP-MANNOSE-bond4" atomRefs="GDP-MANNOSE-atom4 GDP-MANNOSE-atom39" order="2"/> <bond id="GDP-MANNOSE-bond5" atomRefs="GDP-MANNOSE-atom5 GDP-MANNOSE-atom40" order="2"/> <bond id="GDP-MANNOSE-bond6" atomRefs="GDP-MANNOSE-atom6 GDP-MANNOSE-atom15" order="1"/> <bond id="GDP-MANNOSE-bond7" atomRefs="GDP-MANNOSE-atom30 GDP-MANNOSE-atom7" order="1"/> <bond id="GDP-MANNOSE-bond8" atomRefs="GDP-MANNOSE-atom31 GDP-MANNOSE-atom8" order="1"/> <bond id="GDP-MANNOSE-bond9" atomRefs="GDP-MANNOSE-atom32 GDP-MANNOSE-atom9" order="1"/> <bond id="GDP-MANNOSE-bond10" atomRefs="GDP-MANNOSE-atom33 GDP-MANNOSE-atom10" order="1"/> <bond id="GDP-MANNOSE-bond11" atomRefs="GDP-MANNOSE-atom34 GDP-MANNOSE-atom11" order="1"/> <bond id="GDP-MANNOSE-bond12" atomRefs="GDP-MANNOSE-atom12 GDP-MANNOSE-atom39" order="1"/> <bond id="GDP-MANNOSE-bond13" atomRefs="GDP-MANNOSE-atom13 GDP-MANNOSE-atom40" order="1"/> <bond id="GDP-MANNOSE-bond14" atomRefs="GDP-MANNOSE-atom14 GDP-MANNOSE-atom17" order="A"/> <bond id="GDP-MANNOSE-bond15" atomRefs="GDP-MANNOSE-atom38 GDP-MANNOSE-atom14" order="A"/> <bond id="GDP-MANNOSE-bond16" atomRefs="GDP-MANNOSE-atom28 GDP-MANNOSE-atom15" order="1"/> <bond id="GDP-MANNOSE-bond17" atomRefs="GDP-MANNOSE-atom16 GDP-MANNOSE-atom19" order="1"/> <bond id="GDP-MANNOSE-bond18" atomRefs="GDP-MANNOSE-atom29 GDP-MANNOSE-atom16" order="1"/> <bond id="GDP-MANNOSE-bond19" atomRefs="GDP-MANNOSE-atom17 GDP-MANNOSE-atom26" order="A"/> <bond id="GDP-MANNOSE-bond20" atomRefs="GDP-MANNOSE-atom18 GDP-MANNOSE-atom24" order="A"/> <bond id="GDP-MANNOSE-bond21" atomRefs="GDP-MANNOSE-atom27 GDP-MANNOSE-atom18" order="A"/> <bond id="GDP-MANNOSE-bond22" atomRefs="GDP-MANNOSE-atom19 GDP-MANNOSE-atom39" order="1"/> <bond id="GDP-MANNOSE-bond23" atomRefs="GDP-MANNOSE-atom20 GDP-MANNOSE-atom28" order="1"/> <bond id="GDP-MANNOSE-bond24" atomRefs="GDP-MANNOSE-atom20 GDP-MANNOSE-atom35" order="1"/> <bond id="GDP-MANNOSE-bond25" atomRefs="GDP-MANNOSE-atom21 GDP-MANNOSE-atom29" order="1"/> <bond id="GDP-MANNOSE-bond26" atomRefs="GDP-MANNOSE-atom21 GDP-MANNOSE-atom36" order="1"/> <bond id="GDP-MANNOSE-bond27" atomRefs="GDP-MANNOSE-atom22 GDP-MANNOSE-atom35" order="1"/> <bond id="GDP-MANNOSE-bond28" atomRefs="GDP-MANNOSE-atom22 GDP-MANNOSE-atom40" order="1"/> <bond id="GDP-MANNOSE-bond29" atomRefs="GDP-MANNOSE-atom23 GDP-MANNOSE-atom39" order="1"/> <bond id="GDP-MANNOSE-bond30" atomRefs="GDP-MANNOSE-atom23 GDP-MANNOSE-atom40" order="1"/> <bond id="GDP-MANNOSE-bond31" atomRefs="GDP-MANNOSE-atom24 GDP-MANNOSE-atom37" order="A"/> <bond id="GDP-MANNOSE-bond32" atomRefs="GDP-MANNOSE-atom25 GDP-MANNOSE-atom26" order="A"/> <bond id="GDP-MANNOSE-bond33" atomRefs="GDP-MANNOSE-atom37 GDP-MANNOSE-atom25" order="A"/> <bond id="GDP-MANNOSE-bond34" atomRefs="GDP-MANNOSE-atom26 GDP-MANNOSE-atom27" order="A"/> <bond id="GDP-MANNOSE-bond35" atomRefs="GDP-MANNOSE-atom27 GDP-MANNOSE-atom38" order="A"/> <bond id="GDP-MANNOSE-bond36" atomRefs="GDP-MANNOSE-atom28 GDP-MANNOSE-atom30" order="1"/> <bond id="GDP-MANNOSE-bond37" atomRefs="GDP-MANNOSE-atom29 GDP-MANNOSE-atom31" order="1"/> <bond id="GDP-MANNOSE-bond38" atomRefs="GDP-MANNOSE-atom30 GDP-MANNOSE-atom32" order="1"/> <bond id="GDP-MANNOSE-bond39" atomRefs="GDP-MANNOSE-atom31 GDP-MANNOSE-atom34" order="1"/> <bond id="GDP-MANNOSE-bond40" atomRefs="GDP-MANNOSE-atom32 GDP-MANNOSE-atom33" order="1"/> <bond id="GDP-MANNOSE-bond41" atomRefs="GDP-MANNOSE-atom33 GDP-MANNOSE-atom35" order="1"/> <bond id="GDP-MANNOSE-bond42" atomRefs="GDP-MANNOSE-atom34 GDP-MANNOSE-atom36" order="1"/> <bond id="GDP-MANNOSE-bond43" atomRefs="GDP-MANNOSE-atom36 GDP-MANNOSE-atom38" order="1"/> <formula concise="C 16 H 25 N 5 O 16 P 2" formalCharge="0"/> 605.345 C(O)C1(OC(C(O)C(O)C(O)1)OP(O)(=O)OP(O)(=O)OCC2(OC(C(O)C(O)2)n3(c4(c(nc3)c(=O)[nH]c(N)n4)))) guanosine diphosphate mannose
ATP-mannose-1-phosphate guanylyltransferase
NIL ATP or UTP can replace CTP, but both are less effective.
2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase
4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol
<atom id="4-CYTIDINE-5-DIPHOSPHO-2-C-atom1" elementType="C" x2="0.2493" y2="-5.8676"/> <atom id="4-CYTIDINE-5-DIPHOSPHO-2-C-atom2" elementType="N" x2="19.5638" y2="-2.8175"/> <atom id="4-CYTIDINE-5-DIPHOSPHO-2-C-atom3" elementType="O" x2="15.3113" y2="0.0"/> <atom id="4-CYTIDINE-5-DIPHOSPHO-2-C-atom4" elementType="O" x2="5.8856" y2="-4.8164"/> <atom id="4-CYTIDINE-5-DIPHOSPHO-2-C-atom5" elementType="O" x2="8.6851" y2="-4.8361"/> <atom id="4-CYTIDINE-5-DIPHOSPHO-2-C-atom6" elementType="O" x2="0.0" y2="-2.7655"/> <atom id="4-CYTIDINE-5-DIPHOSPHO-2-C-atom7" elementType="O" x2="2.1919" y2="-2.4655"/> <atom id="4-CYTIDINE-5-DIPHOSPHO-2-C-atom8" elementType="O" x2="10.7486" y2="-1.4012"/> <atom id="4-CYTIDINE-5-DIPHOSPHO-2-C-atom9" elementType="O" x2="13.5272" y2="-0.1537"/> <atom id="4-CYTIDINE-5-DIPHOSPHO-2-C-atom10" elementType="O" x2="2.1982" y2="-5.8557"/> <atom id="4-CYTIDINE-5-DIPHOSPHO-2-C-atom11" elementType="O" x2="5.8834" y2="-2.0164"/> <atom id="4-CYTIDINE-5-DIPHOSPHO-2-C-atom12" elementType="O" x2="8.6818" y2="-2.0361"/> <atom id="4-CYTIDINE-5-DIPHOSPHO-2-C-atom13" elementType="C" x2="17.7906" y2="-3.3901"/> <atom id="4-CYTIDINE-5-DIPHOSPHO-2-C-atom14" elementType="C" x2="16.3987" y2="-3.5408"/> <atom id="4-CYTIDINE-5-DIPHOSPHO-2-C-atom15" elementType="C" x2="0.0" y2="-4.1655"/> <atom id="4-CYTIDINE-5-DIPHOSPHO-2-C-atom16" elementType="C" x2="3.4837" y2="-4.4385"/> <atom id="4-CYTIDINE-5-DIPHOSPHO-2-C-atom17" elementType="C" x2="11.0764" y2="-4.4293"/> <atom id="4-CYTIDINE-5-DIPHOSPHO-2-C-atom18" elementType="N" x2="17.5296" y2="-0.9793"/> <atom id="4-CYTIDINE-5-DIPHOSPHO-2-C-atom19" elementType="O" x2="4.4901" y2="-3.4653"/> <atom id="4-CYTIDINE-5-DIPHOSPHO-2-C-atom20" elementType="O" x2="10.0891" y2="-3.4368"/> <atom id="4-CYTIDINE-5-DIPHOSPHO-2-C-atom21" elementType="O" x2="13.4842" y2="-3.7761"/> <atom id="4-CYTIDINE-5-DIPHOSPHO-2-C-atom22" elementType="O" x2="7.2892" y2="-3.4272"/> <atom id="4-CYTIDINE-5-DIPHOSPHO-2-C-atom23" elementType="C" x2="18.356" y2="-2.1094"/> <atom id="4-CYTIDINE-5-DIPHOSPHO-2-C-atom24" elementType="C" x2="16.1377" y2="-1.13"/> <atom id="4-CYTIDINE-5-DIPHOSPHO-2-C-atom25" elementType="C" x2="2.2064" y2="-3.8654"/> <atom id="4-CYTIDINE-5-DIPHOSPHO-2-C-atom26" elementType="C" x2="11.9632" y2="-2.0974"/> <atom id="4-CYTIDINE-5-DIPHOSPHO-2-C-atom27" elementType="C" x2="13.2404" y2="-1.524"/> <atom id="4-CYTIDINE-5-DIPHOSPHO-2-C-atom28" elementType="C" x2="12.1139" y2="-3.4893"/> <atom id="4-CYTIDINE-5-DIPHOSPHO-2-C-atom29" elementType="C" x2="14.1804" y2="-2.5615"/> <atom id="4-CYTIDINE-5-DIPHOSPHO-2-C-atom30" elementType="N" x2="15.5723" y2="-2.4108"/> <atom id="4-CYTIDINE-5-DIPHOSPHO-2-C-atom31" elementType="C" x2="1.2176" y2="-4.8565"/> <atom id="4-CYTIDINE-5-DIPHOSPHO-2-C-atom32" elementType="P" x2="5.8892" y2="-3.4164"/> <atom id="4-CYTIDINE-5-DIPHOSPHO-2-C-atom33" elementType="P" x2="8.6891" y2="-3.4361"/> <bond id="4-CYTIDINE-5-DIPHOSPHO-2-C-bond1" atomRefs="4-CYTIDINE-5-DIPHOSPHO-2-C-atom29 4-CYTIDINE-5-DIPHOSPHO-2-C-atom30" order="1"/> <bond id="4-CYTIDINE-5-DIPHOSPHO-2-C-bond2" atomRefs="4-CYTIDINE-5-DIPHOSPHO-2-C-atom27 4-CYTIDINE-5-DIPHOSPHO-2-C-atom29" order="1"/> <bond id="4-CYTIDINE-5-DIPHOSPHO-2-C-bond3" atomRefs="4-CYTIDINE-5-DIPHOSPHO-2-C-atom26 4-CYTIDINE-5-DIPHOSPHO-2-C-atom28" order="1"/> <bond id="4-CYTIDINE-5-DIPHOSPHO-2-C-bond4" atomRefs="4-CYTIDINE-5-DIPHOSPHO-2-C-atom26 4-CYTIDINE-5-DIPHOSPHO-2-C-atom27" order="1"/> <bond id="4-CYTIDINE-5-DIPHOSPHO-2-C-bond5" atomRefs="4-CYTIDINE-5-DIPHOSPHO-2-C-atom25 4-CYTIDINE-5-DIPHOSPHO-2-C-atom31" order="1"/> <bond id="4-CYTIDINE-5-DIPHOSPHO-2-C-bond6" atomRefs="4-CYTIDINE-5-DIPHOSPHO-2-C-atom30 4-CYTIDINE-5-DIPHOSPHO-2-C-atom24" order="A"/> <bond id="4-CYTIDINE-5-DIPHOSPHO-2-C-bond7" atomRefs="4-CYTIDINE-5-DIPHOSPHO-2-C-atom22 4-CYTIDINE-5-DIPHOSPHO-2-C-atom33" order="1"/> <bond id="4-CYTIDINE-5-DIPHOSPHO-2-C-bond8" atomRefs="4-CYTIDINE-5-DIPHOSPHO-2-C-atom22 4-CYTIDINE-5-DIPHOSPHO-2-C-atom32" order="1"/> <bond id="4-CYTIDINE-5-DIPHOSPHO-2-C-bond9" atomRefs="4-CYTIDINE-5-DIPHOSPHO-2-C-atom21 4-CYTIDINE-5-DIPHOSPHO-2-C-atom29" order="1"/> <bond id="4-CYTIDINE-5-DIPHOSPHO-2-C-bond10" atomRefs="4-CYTIDINE-5-DIPHOSPHO-2-C-atom21 4-CYTIDINE-5-DIPHOSPHO-2-C-atom28" order="1"/> <bond id="4-CYTIDINE-5-DIPHOSPHO-2-C-bond11" atomRefs="4-CYTIDINE-5-DIPHOSPHO-2-C-atom20 4-CYTIDINE-5-DIPHOSPHO-2-C-atom33" order="1"/> <bond id="4-CYTIDINE-5-DIPHOSPHO-2-C-bond12" atomRefs="4-CYTIDINE-5-DIPHOSPHO-2-C-atom19 4-CYTIDINE-5-DIPHOSPHO-2-C-atom32" order="1"/> <bond id="4-CYTIDINE-5-DIPHOSPHO-2-C-bond13" atomRefs="4-CYTIDINE-5-DIPHOSPHO-2-C-atom24 4-CYTIDINE-5-DIPHOSPHO-2-C-atom18" order="A"/> <bond id="4-CYTIDINE-5-DIPHOSPHO-2-C-bond14" atomRefs="4-CYTIDINE-5-DIPHOSPHO-2-C-atom18 4-CYTIDINE-5-DIPHOSPHO-2-C-atom23" order="A"/> <bond id="4-CYTIDINE-5-DIPHOSPHO-2-C-bond15" atomRefs="4-CYTIDINE-5-DIPHOSPHO-2-C-atom17 4-CYTIDINE-5-DIPHOSPHO-2-C-atom28" order="1"/> <bond id="4-CYTIDINE-5-DIPHOSPHO-2-C-bond16" atomRefs="4-CYTIDINE-5-DIPHOSPHO-2-C-atom17 4-CYTIDINE-5-DIPHOSPHO-2-C-atom20" order="1"/> <bond id="4-CYTIDINE-5-DIPHOSPHO-2-C-bond17" atomRefs="4-CYTIDINE-5-DIPHOSPHO-2-C-atom16 4-CYTIDINE-5-DIPHOSPHO-2-C-atom25" order="1"/> <bond id="4-CYTIDINE-5-DIPHOSPHO-2-C-bond18" atomRefs="4-CYTIDINE-5-DIPHOSPHO-2-C-atom16 4-CYTIDINE-5-DIPHOSPHO-2-C-atom19" order="1"/> <bond id="4-CYTIDINE-5-DIPHOSPHO-2-C-bond19" atomRefs="4-CYTIDINE-5-DIPHOSPHO-2-C-atom15 4-CYTIDINE-5-DIPHOSPHO-2-C-atom31" order="1"/> <bond id="4-CYTIDINE-5-DIPHOSPHO-2-C-bond20" atomRefs="4-CYTIDINE-5-DIPHOSPHO-2-C-atom14 4-CYTIDINE-5-DIPHOSPHO-2-C-atom30" order="A"/> <bond id="4-CYTIDINE-5-DIPHOSPHO-2-C-bond21" atomRefs="4-CYTIDINE-5-DIPHOSPHO-2-C-atom23 4-CYTIDINE-5-DIPHOSPHO-2-C-atom13" order="A"/> <bond id="4-CYTIDINE-5-DIPHOSPHO-2-C-bond22" atomRefs="4-CYTIDINE-5-DIPHOSPHO-2-C-atom13 4-CYTIDINE-5-DIPHOSPHO-2-C-atom14" order="A"/> <bond id="4-CYTIDINE-5-DIPHOSPHO-2-C-bond23" atomRefs="4-CYTIDINE-5-DIPHOSPHO-2-C-atom12 4-CYTIDINE-5-DIPHOSPHO-2-C-atom33" order="1"/> <bond id="4-CYTIDINE-5-DIPHOSPHO-2-C-bond24" atomRefs="4-CYTIDINE-5-DIPHOSPHO-2-C-atom11 4-CYTIDINE-5-DIPHOSPHO-2-C-atom32" order="1"/> <bond id="4-CYTIDINE-5-DIPHOSPHO-2-C-bond25" atomRefs="4-CYTIDINE-5-DIPHOSPHO-2-C-atom31 4-CYTIDINE-5-DIPHOSPHO-2-C-atom10" order="1"/> <bond id="4-CYTIDINE-5-DIPHOSPHO-2-C-bond26" atomRefs="4-CYTIDINE-5-DIPHOSPHO-2-C-atom27 4-CYTIDINE-5-DIPHOSPHO-2-C-atom9" order="1"/> <bond id="4-CYTIDINE-5-DIPHOSPHO-2-C-bond27" atomRefs="4-CYTIDINE-5-DIPHOSPHO-2-C-atom26 4-CYTIDINE-5-DIPHOSPHO-2-C-atom8" order="1"/> <bond id="4-CYTIDINE-5-DIPHOSPHO-2-C-bond28" atomRefs="4-CYTIDINE-5-DIPHOSPHO-2-C-atom25 4-CYTIDINE-5-DIPHOSPHO-2-C-atom7" order="1"/> <bond id="4-CYTIDINE-5-DIPHOSPHO-2-C-bond29" atomRefs="4-CYTIDINE-5-DIPHOSPHO-2-C-atom6 4-CYTIDINE-5-DIPHOSPHO-2-C-atom15" order="1"/> <bond id="4-CYTIDINE-5-DIPHOSPHO-2-C-bond30" atomRefs="4-CYTIDINE-5-DIPHOSPHO-2-C-atom5 4-CYTIDINE-5-DIPHOSPHO-2-C-atom33" order="2"/> <bond id="4-CYTIDINE-5-DIPHOSPHO-2-C-bond31" atomRefs="4-CYTIDINE-5-DIPHOSPHO-2-C-atom4 4-CYTIDINE-5-DIPHOSPHO-2-C-atom32" order="2"/> <bond id="4-CYTIDINE-5-DIPHOSPHO-2-C-bond32" atomRefs="4-CYTIDINE-5-DIPHOSPHO-2-C-atom3 4-CYTIDINE-5-DIPHOSPHO-2-C-atom24" order="2"/> <bond id="4-CYTIDINE-5-DIPHOSPHO-2-C-bond33" atomRefs="4-CYTIDINE-5-DIPHOSPHO-2-C-atom2 4-CYTIDINE-5-DIPHOSPHO-2-C-atom23" order="1"/> <bond id="4-CYTIDINE-5-DIPHOSPHO-2-C-bond34" atomRefs="4-CYTIDINE-5-DIPHOSPHO-2-C-atom31 4-CYTIDINE-5-DIPHOSPHO-2-C-atom1" order="1"/> <formula concise="C 14 H 25 N 3 O 14 P 2" formalCharge="0"/> 521.311 CC(O)(CO)C(O)COP(=O)(O)OP(=O)(O)OCC1(OC(C(O)C1O)n2(c(=O)nc(N)cc2))
4-diphosphocytidyl-2C-methyl-D-erythritol synthase
4-diphosphocytidyl-2-C-methyl-D-erythritol synthase
Phosphatidates consist of a glycerol backbone, with a (usually) saturated fatty acid bonded to carbon-1, a (usually) unsaturated fatty acid bonded to carbon-2, and a phosphate group bonded to carbon-3.
<cml> <molecule id="L-PHOSPHATIDATE" title="an L-phosphatidate" dictRef="dictL-PHOSPHATIDATE"> <atomArray> <atom id="L-PHOSPHATIDATE-atom1" elementType="O" x2="3.1666" y2="-4.6917"/> <atom id="L-PHOSPHATIDATE-atom2" elementType="C" x2="3.8162" y2="-4.3167"/> <atom id="L-PHOSPHATIDATE-atom3" elementType="C" x2="4.4657" y2="-4.6917"/> <atom id="L-PHOSPHATIDATE-atom4" elementType="O" x2="5.1152" y2="-4.3167"/> <atom id="L-PHOSPHATIDATE-atom5" elementType="C" x2="4.4657" y2="-5.4417"/> <atom id="L-PHOSPHATIDATE-atom6" elementType="C" x2="5.7647" y2="-4.6917"/> <atom id="L-PHOSPHATIDATE-atom7" elementType="R" x2="6.4142" y2="-4.3167"/> <atom id="L-PHOSPHATIDATE-atom8" elementType="O" x2="5.7647" y2="-5.4417"/> <atom id="L-PHOSPHATIDATE-atom9" elementType="C" x2="2.5171" y2="-4.3167"/> <atom id="L-PHOSPHATIDATE-atom10" elementType="R" x2="1.8676" y2="-4.6917"/> <atom id="L-PHOSPHATIDATE-atom11" elementType="O" x2="2.5171" y2="-3.5667"/> <atom id="L-PHOSPHATIDATE-atom12" elementType="O" x2="3.8162" y2="-5.8167"/> <atom id="L-PHOSPHATIDATE-atom13" elementType="P" x2="3.8162" y2="-6.5667"/> <atom id="L-PHOSPHATIDATE-atom14" elementType="O" x2="3.0625" y2="-6.5625"/> <atom id="L-PHOSPHATIDATE-atom15" elementType="O" x2="4.5625" y2="-6.5625"/> <atom id="L-PHOSPHATIDATE-atom16" elementType="O" x2="3.8026" y2="-7.3375"/> </atomArray> <bondArray> <bond id="L-PHOSPHATIDATE-bond1" atomRefs="L-PHOSPHATIDATE-atom13 L-PHOSPHATIDATE-atom16" order="1"/> <bond id="L-PHOSPHATIDATE-bond2" atomRefs="L-PHOSPHATIDATE-atom13 L-PHOSPHATIDATE-atom15" order="2"/> <bond id="L-PHOSPHATIDATE-bond3" atomRefs="L-PHOSPHATIDATE-atom13 L-PHOSPHATIDATE-atom14" order="1"/> <bond id="L-PHOSPHATIDATE-bond4" atomRefs="L-PHOSPHATIDATE-atom12 L-PHOSPHATIDATE-atom13" order="1"/> <bond id="L-PHOSPHATIDATE-bond5" atomRefs="L-PHOSPHATIDATE-atom5 L-PHOSPHATIDATE-atom12" order="1"/> <bond id="L-PHOSPHATIDATE-bond6" atomRefs="L-PHOSPHATIDATE-atom9 L-PHOSPHATIDATE-atom11" order="2"/> <bond id="L-PHOSPHATIDATE-bond7" atomRefs="L-PHOSPHATIDATE-atom9 L-PHOSPHATIDATE-atom10" order="1"/> <bond id="L-PHOSPHATIDATE-bond8" atomRefs="L-PHOSPHATIDATE-atom1 L-PHOSPHATIDATE-atom9" order="1"/> <bond id="L-PHOSPHATIDATE-bond9" atomRefs="L-PHOSPHATIDATE-atom6 L-PHOSPHATIDATE-atom8" order="2"/> <bond id="L-PHOSPHATIDATE-bond10" atomRefs="L-PHOSPHATIDATE-atom6 L-PHOSPHATIDATE-atom7" order="1"/> <bond id="L-PHOSPHATIDATE-bond11" atomRefs="L-PHOSPHATIDATE-atom4 L-PHOSPHATIDATE-atom6" order="1"/> <bond id="L-PHOSPHATIDATE-bond12" atomRefs="L-PHOSPHATIDATE-atom3 L-PHOSPHATIDATE-atom5" order="1"/> <bond id="L-PHOSPHATIDATE-bond13" atomRefs="L-PHOSPHATIDATE-atom3 L-PHOSPHATIDATE-atom4" order="1"/> <bond id="L-PHOSPHATIDATE-bond14" atomRefs="L-PHOSPHATIDATE-atom2 L-PHOSPHATIDATE-atom3" order="1"/> <bond id="L-PHOSPHATIDATE-bond15" atomRefs="L-PHOSPHATIDATE-atom1 L-PHOSPHATIDATE-atom2" order="1"/> </bondArray> <formula concise="C 5 H 7 O 8 R 2 P 1" formalCharge="0"/> </molecule> </cml>
<cml> <molecule id="CDPDIACYLGLYCEROL" title="a CDP-diacylglycerol" dictRef="dictCDPDIACYLGLYCEROL"> <atomArray> <atom id="CDPDIACYLGLYCEROL-atom1" elementType="N" x2="10.2917" y2="-5.2968"/> <atom id="CDPDIACYLGLYCEROL-atom2" elementType="O" x2="8.8646" y2="-2.8068"/> <atom id="CDPDIACYLGLYCEROL-atom3" elementType="O" x2="4.3454" y2="-2.5055"/> <atom id="CDPDIACYLGLYCEROL-atom4" elementType="O" x2="5.9943" y2="-2.5055"/> <atom id="CDPDIACYLGLYCEROL-atom5" elementType="O" x2="8.1985" y2="0.0"/> <atom id="CDPDIACYLGLYCEROL-atom6" elementType="O" x2="10.0064" y2="0.0"/> <atom id="CDPDIACYLGLYCEROL-atom7" elementType="O" x2="4.3454" y2="-0.8719"/> <atom id="CDPDIACYLGLYCEROL-atom8" elementType="O" x2="5.9943" y2="-0.8565"/> <atom id="CDPDIACYLGLYCEROL-atom9" elementType="C" x2="11.0212" y2="-4.0441"/> <atom id="CDPDIACYLGLYCEROL-atom10" elementType="C" x2="11.0212" y2="-3.2035"/> <atom id="CDPDIACYLGLYCEROL-atom11" elementType="C" x2="7.6278" y2="-1.681"/> <atom id="CDPDIACYLGLYCEROL-atom12" elementType="N" x2="9.5627" y2="-4.0441"/> <atom id="CDPDIACYLGLYCEROL-atom13" elementType="O" x2="6.8188" y2="-1.681"/> <atom id="CDPDIACYLGLYCEROL-atom14" elementType="O" x2="9.087" y2="-1.9348"/> <atom id="CDPDIACYLGLYCEROL-atom15" elementType="O" x2="5.1699" y2="-1.681"/> <atom id="CDPDIACYLGLYCEROL-atom16" elementType="C" x2="10.2917" y2="-4.4718"/> <atom id="CDPDIACYLGLYCEROL-atom17" elementType="C" x2="9.5627" y2="-3.235"/> <atom id="CDPDIACYLGLYCEROL-atom18" elementType="C" x2="8.6742" y2="-0.6501"/> <atom id="CDPDIACYLGLYCEROL-atom19" elementType="C" x2="9.5147" y2="-0.6501"/> <atom id="CDPDIACYLGLYCEROL-atom20" elementType="C" x2="8.4363" y2="-1.4591"/> <atom id="CDPDIACYLGLYCEROL-atom21" elementType="C" x2="9.7525" y2="-1.4271"/> <atom id="CDPDIACYLGLYCEROL-atom22" elementType="N" x2="10.2917" y2="-2.8068"/> <atom id="CDPDIACYLGLYCEROL-atom23" elementType="P" x2="4.3454" y2="-1.681"/> <atom id="CDPDIACYLGLYCEROL-atom24" elementType="P" x2="5.9943" y2="-1.681"/> <atom id="CDPDIACYLGLYCEROL-atom25" elementType="O" x2="3.5363" y2="-1.681"/> <atom id="CDPDIACYLGLYCEROL-atom26" elementType="C" x2="3.1238" y2="-0.9665"/> <atom id="CDPDIACYLGLYCEROL-atom27" elementType="C" x2="2.2988" y2="-0.9665"/> <atom id="CDPDIACYLGLYCEROL-atom28" elementType="O" x2="-0.145" y2="0.5152"/> <atom id="CDPDIACYLGLYCEROL-atom29" elementType="O" x2="0.6185" y2="-2.3598"/> <atom id="CDPDIACYLGLYCEROL-atom30" elementType="R1" x2="0.6491" y2="-0.9312"/> <atom id="CDPDIACYLGLYCEROL-atom31" elementType="C" x2="1.9017" y2="-0.2434"/> <atom id="CDPDIACYLGLYCEROL-atom32" elementType="O" x2="1.0769" y2="-0.2256"/> <atom id="CDPDIACYLGLYCEROL-atom33" elementType="O" x2="1.871" y2="-1.672"/> <atom id="CDPDIACYLGLYCEROL-atom34" elementType="C" x2="0.6798" y2="0.4975"/> <atom id="CDPDIACYLGLYCEROL-atom35" elementType="C" x2="1.0462" y2="-1.6543"/> <atom id="CDPDIACYLGLYCEROL-atom36" elementType="R2" x2="1.1075" y2="1.203"/> </atomArray> <bondArray> <bond id="CDPDIACYLGLYCEROL-bond1" atomRefs="CDPDIACYLGLYCEROL-atom36 CDPDIACYLGLYCEROL-atom34" order="1"/> <bond id="CDPDIACYLGLYCEROL-bond2" atomRefs="CDPDIACYLGLYCEROL-atom33 CDPDIACYLGLYCEROL-atom35" order="1"/> <bond id="CDPDIACYLGLYCEROL-bond3" atomRefs="CDPDIACYLGLYCEROL-atom32 CDPDIACYLGLYCEROL-atom34" order="1"/> <bond id="CDPDIACYLGLYCEROL-bond4" atomRefs="CDPDIACYLGLYCEROL-atom31 CDPDIACYLGLYCEROL-atom32" order="1"/> <bond id="CDPDIACYLGLYCEROL-bond5" atomRefs="CDPDIACYLGLYCEROL-atom30 CDPDIACYLGLYCEROL-atom35" order="1"/> <bond id="CDPDIACYLGLYCEROL-bond6" atomRefs="CDPDIACYLGLYCEROL-atom29 CDPDIACYLGLYCEROL-atom35" order="2"/> <bond id="CDPDIACYLGLYCEROL-bond7" atomRefs="CDPDIACYLGLYCEROL-atom28 CDPDIACYLGLYCEROL-atom34" order="2"/> <bond id="CDPDIACYLGLYCEROL-bond8" atomRefs="CDPDIACYLGLYCEROL-atom31 CDPDIACYLGLYCEROL-atom27" order="1"/> <bond id="CDPDIACYLGLYCEROL-bond9" atomRefs="CDPDIACYLGLYCEROL-atom33 CDPDIACYLGLYCEROL-atom27" order="1"/> <bond id="CDPDIACYLGLYCEROL-bond10" atomRefs="CDPDIACYLGLYCEROL-atom26 CDPDIACYLGLYCEROL-atom27" order="1"/> <bond id="CDPDIACYLGLYCEROL-bond11" atomRefs="CDPDIACYLGLYCEROL-atom25 CDPDIACYLGLYCEROL-atom26" order="1"/> <bond id="CDPDIACYLGLYCEROL-bond12" atomRefs="CDPDIACYLGLYCEROL-atom1 CDPDIACYLGLYCEROL-atom16" order="1"/> <bond id="CDPDIACYLGLYCEROL-bond13" atomRefs="CDPDIACYLGLYCEROL-atom2 CDPDIACYLGLYCEROL-atom17" order="2"/> <bond id="CDPDIACYLGLYCEROL-bond14" atomRefs="CDPDIACYLGLYCEROL-atom3 CDPDIACYLGLYCEROL-atom23" order="2"/> <bond id="CDPDIACYLGLYCEROL-bond15" atomRefs="CDPDIACYLGLYCEROL-atom4 CDPDIACYLGLYCEROL-atom24" order="2"/> <bond id="CDPDIACYLGLYCEROL-bond16" atomRefs="CDPDIACYLGLYCEROL-atom18 CDPDIACYLGLYCEROL-atom5" order="1"/> <bond id="CDPDIACYLGLYCEROL-bond17" atomRefs="CDPDIACYLGLYCEROL-atom19 CDPDIACYLGLYCEROL-atom6" order="1"/> <bond id="CDPDIACYLGLYCEROL-bond18" atomRefs="CDPDIACYLGLYCEROL-atom7 CDPDIACYLGLYCEROL-atom23" order="1"/> <bond id="CDPDIACYLGLYCEROL-bond19" atomRefs="CDPDIACYLGLYCEROL-atom8 CDPDIACYLGLYCEROL-atom24" order="1"/> <bond id="CDPDIACYLGLYCEROL-bond20" atomRefs="CDPDIACYLGLYCEROL-atom10 CDPDIACYLGLYCEROL-atom9" order="A"/> <bond id="CDPDIACYLGLYCEROL-bond21" atomRefs="CDPDIACYLGLYCEROL-atom9 CDPDIACYLGLYCEROL-atom16" order="A"/> <bond id="CDPDIACYLGLYCEROL-bond22" atomRefs="CDPDIACYLGLYCEROL-atom22 CDPDIACYLGLYCEROL-atom10" order="A"/> <bond id="CDPDIACYLGLYCEROL-bond23" atomRefs="CDPDIACYLGLYCEROL-atom11 CDPDIACYLGLYCEROL-atom13" order="1"/> <bond id="CDPDIACYLGLYCEROL-bond24" atomRefs="CDPDIACYLGLYCEROL-atom20 CDPDIACYLGLYCEROL-atom11" order="1"/> <bond id="CDPDIACYLGLYCEROL-bond25" atomRefs="CDPDIACYLGLYCEROL-atom16 CDPDIACYLGLYCEROL-atom12" order="A"/> <bond id="CDPDIACYLGLYCEROL-bond26" atomRefs="CDPDIACYLGLYCEROL-atom12 CDPDIACYLGLYCEROL-atom17" order="A"/> <bond id="CDPDIACYLGLYCEROL-bond27" atomRefs="CDPDIACYLGLYCEROL-atom25 CDPDIACYLGLYCEROL-atom23" order="1"/> <bond id="CDPDIACYLGLYCEROL-bond28" atomRefs="CDPDIACYLGLYCEROL-atom13 CDPDIACYLGLYCEROL-atom24" order="1"/> <bond id="CDPDIACYLGLYCEROL-bond29" atomRefs="CDPDIACYLGLYCEROL-atom14 CDPDIACYLGLYCEROL-atom20" order="1"/> <bond id="CDPDIACYLGLYCEROL-bond30" atomRefs="CDPDIACYLGLYCEROL-atom14 CDPDIACYLGLYCEROL-atom21" order="1"/> <bond id="CDPDIACYLGLYCEROL-bond31" atomRefs="CDPDIACYLGLYCEROL-atom15 CDPDIACYLGLYCEROL-atom23" order="1"/> <bond id="CDPDIACYLGLYCEROL-bond32" atomRefs="CDPDIACYLGLYCEROL-atom15 CDPDIACYLGLYCEROL-atom24" order="1"/> <bond id="CDPDIACYLGLYCEROL-bond33" atomRefs="CDPDIACYLGLYCEROL-atom17 CDPDIACYLGLYCEROL-atom22" order="A"/> <bond id="CDPDIACYLGLYCEROL-bond34" atomRefs="CDPDIACYLGLYCEROL-atom18 CDPDIACYLGLYCEROL-atom19" order="1"/> <bond id="CDPDIACYLGLYCEROL-bond35" atomRefs="CDPDIACYLGLYCEROL-atom18 CDPDIACYLGLYCEROL-atom20" order="1"/> <bond id="CDPDIACYLGLYCEROL-bond36" atomRefs="CDPDIACYLGLYCEROL-atom19 CDPDIACYLGLYCEROL-atom21" order="1"/> <bond id="CDPDIACYLGLYCEROL-bond37" atomRefs="CDPDIACYLGLYCEROL-atom21 CDPDIACYLGLYCEROL-atom22" order="1"/> </bondArray> <formula concise="C 14 H 19 N 3 O 15 R1 1 R2 1 P 2" formalCharge="0"/> <string title="smiles">c1(n(c(=O)nc(N)c1)C2(OC(C(O)C(O)2)COP(O)(=O)OP(O)(=O)OCC(OC([R1])=O)COC([R2])=O))</string> </molecule> </cml>
<atom id="GLC-1-P-atom1" elementType="O" x2="7.5944" y2="-5.6"/> <atom id="GLC-1-P-atom2" elementType="O" x2="0.0" y2="-3.8449"/> <atom id="GLC-1-P-atom3" elementType="O" x2="3.7791" y2="0.0"/> <atom id="GLC-1-P-atom4" elementType="O" x2="1.3542" y2="-1.4"/> <atom id="GLC-1-P-atom5" elementType="O" x2="6.204" y2="-1.4"/> <atom id="GLC-1-P-atom6" elementType="O" x2="7.604" y2="-2.8"/> <atom id="GLC-1-P-atom7" elementType="O" x2="9.004" y2="-4.2"/> <atom id="GLC-1-P-atom8" elementType="C" x2="1.3542" y2="-4.2"/> <atom id="GLC-1-P-atom9" elementType="O" x2="3.7791" y2="-4.2"/> <atom id="GLC-1-P-atom10" elementType="O" x2="6.204" y2="-4.2"/> <atom id="GLC-1-P-atom11" elementType="C" x2="3.7791" y2="-1.4"/> <atom id="GLC-1-P-atom12" elementType="C" x2="2.5667" y2="-2.1"/> <atom id="GLC-1-P-atom13" elementType="C" x2="4.9915" y2="-2.1"/> <atom id="GLC-1-P-atom14" elementType="C" x2="2.5667" y2="-3.5"/> <atom id="GLC-1-P-atom15" elementType="C" x2="4.9915" y2="-3.5"/> <atom id="GLC-1-P-atom16" elementType="P" x2="7.604" y2="-4.2"/> <bond id="GLC-1-P-bond1" atomRefs="GLC-1-P-atom13 GLC-1-P-atom15" order="1"/> <bond id="GLC-1-P-bond2" atomRefs="GLC-1-P-atom12 GLC-1-P-atom14" order="1"/> <bond id="GLC-1-P-bond3" atomRefs="GLC-1-P-atom11 GLC-1-P-atom13" order="1"/> <bond id="GLC-1-P-bond4" atomRefs="GLC-1-P-atom11 GLC-1-P-atom12" order="1"/> <bond id="GLC-1-P-bond5" atomRefs="GLC-1-P-atom10 GLC-1-P-atom16" order="1"/> <bond id="GLC-1-P-bond6" atomRefs="GLC-1-P-atom15 GLC-1-P-atom10" order="1"/> <bond id="GLC-1-P-bond7" atomRefs="GLC-1-P-atom9 GLC-1-P-atom15" order="1"/> <bond id="GLC-1-P-bond8" atomRefs="GLC-1-P-atom9 GLC-1-P-atom14" order="1"/> <bond id="GLC-1-P-bond9" atomRefs="GLC-1-P-atom14 GLC-1-P-atom8" order="1"/> <bond id="GLC-1-P-bond10" atomRefs="GLC-1-P-atom7 GLC-1-P-atom16" order="1"/> <bond id="GLC-1-P-bond11" atomRefs="GLC-1-P-atom6 GLC-1-P-atom16" order="1"/> <bond id="GLC-1-P-bond12" atomRefs="GLC-1-P-atom13 GLC-1-P-atom5" order="1"/> <bond id="GLC-1-P-bond13" atomRefs="GLC-1-P-atom12 GLC-1-P-atom4" order="1"/> <bond id="GLC-1-P-bond14" atomRefs="GLC-1-P-atom11 GLC-1-P-atom3" order="1"/> <bond id="GLC-1-P-bond15" atomRefs="GLC-1-P-atom2 GLC-1-P-atom8" order="1"/> <bond id="GLC-1-P-bond16" atomRefs="GLC-1-P-atom1 GLC-1-P-atom16" order="2"/> <formula concise="C 6 H 13 O 9 P 1" formalCharge="0"/> 260.137 C(O)C1(OC(OP(O)(O)=O)C(O)C(O)C1O)
ADP-GLUCOSE PYROPHOSPHORYLASE LARGE SUBUNIT
Mannose-1-phosphate guanylyltransferase (GDP)
<atom id="DETHIOBIOTIN-atom1" elementType="C" x2="-0.5833333" y2="-0.62333333"/> <atom id="DETHIOBIOTIN-atom2" elementType="O" x2="0.8000001" y2="-0.65"/> <atom id="DETHIOBIOTIN-atom3" elementType="C" x2="-0.40999997" y2="-1.0"/> <atom id="DETHIOBIOTIN-atom4" elementType="C" x2="0.8000001" y2="-0.88"/> <atom id="DETHIOBIOTIN-atom5" elementType="O" x2="-0.5833333" y2="-0.43333334"/> <atom id="DETHIOBIOTIN-atom6" elementType="C" x2="-0.18666667" y2="-1.0"/> <atom id="DETHIOBIOTIN-atom7" elementType="C" x2="0.60333335" y2="-0.99333334"/> <atom id="DETHIOBIOTIN-atom8" elementType="C" x2="0.00999999" y2="-0.88"/> <atom id="DETHIOBIOTIN-atom9" elementType="C" x2="0.40666676" y2="-0.88"/> <atom id="DETHIOBIOTIN-atom10" elementType="N" x2="-0.7733333" y2="-0.7633333"/> <atom id="DETHIOBIOTIN-atom11" elementType="C" x2="0.20666671" y2="-0.99333334"/> <atom id="DETHIOBIOTIN-atom12" elementType="N" x2="-0.40999997" y2="-0.7633333"/> <atom id="DETHIOBIOTIN-atom13" elementType="C" x2="-1.0" y2="-1.0"/> <atom id="DETHIOBIOTIN-atom14" elementType="O" x2="0.99666667" y2="-0.99333334"/> <atom id="DETHIOBIOTIN-atom15" elementType="C" x2="-0.7733333" y2="-1.0"/> <bond id="DETHIOBIOTIN-bond1" atomRefs="DETHIOBIOTIN-atom15 DETHIOBIOTIN-atom3" order="1"/> <bond id="DETHIOBIOTIN-bond2" atomRefs="DETHIOBIOTIN-atom15 DETHIOBIOTIN-atom10" order="1"/> <bond id="DETHIOBIOTIN-bond3" atomRefs="DETHIOBIOTIN-atom13 DETHIOBIOTIN-atom15" order="1"/> <bond id="DETHIOBIOTIN-bond4" atomRefs="DETHIOBIOTIN-atom12 DETHIOBIOTIN-atom1" order="1"/> <bond id="DETHIOBIOTIN-bond5" atomRefs="DETHIOBIOTIN-atom11 DETHIOBIOTIN-atom9" order="1"/> <bond id="DETHIOBIOTIN-bond6" atomRefs="DETHIOBIOTIN-atom10 DETHIOBIOTIN-atom1" order="1"/> <bond id="DETHIOBIOTIN-bond7" atomRefs="DETHIOBIOTIN-atom9 DETHIOBIOTIN-atom7" order="1"/> <bond id="DETHIOBIOTIN-bond8" atomRefs="DETHIOBIOTIN-atom8 DETHIOBIOTIN-atom11" order="1"/> <bond id="DETHIOBIOTIN-bond9" atomRefs="DETHIOBIOTIN-atom7 DETHIOBIOTIN-atom4" order="1"/> <bond id="DETHIOBIOTIN-bond10" atomRefs="DETHIOBIOTIN-atom6 DETHIOBIOTIN-atom8" order="1"/> <bond id="DETHIOBIOTIN-bond11" atomRefs="DETHIOBIOTIN-atom4 DETHIOBIOTIN-atom2" order="1"/> <bond id="DETHIOBIOTIN-bond12" atomRefs="DETHIOBIOTIN-atom4 DETHIOBIOTIN-atom14" order="2"/> <bond id="DETHIOBIOTIN-bond13" atomRefs="DETHIOBIOTIN-atom3 DETHIOBIOTIN-atom6" order="1"/> <bond id="DETHIOBIOTIN-bond14" atomRefs="DETHIOBIOTIN-atom3 DETHIOBIOTIN-atom12" order="1"/> <bond id="DETHIOBIOTIN-bond15" atomRefs="DETHIOBIOTIN-atom1 DETHIOBIOTIN-atom5" order="2"/> <formula concise="C 10 H 18 N 2 O 3" formalCharge="0"/> 214.264 C(=O)(O)CCCCCC1(C(C)NC(N1)=O)
The precise nature of this sulfur donor has been unidentified to date - it is not elemental sulfur or an iron-sulfur cluster.
<cml> <molecule id="CPD-249" title="sulfur donor" dictRef="dictCPD-249"> <atomArray> <atom id="CPD-249-atom1" elementType="S" x2="2.0" y2="0.0"/> </atomArray> <bondArray> </bondArray> <formula concise="H 2 S 1" formalCharge="0"/> <string title="smiles">S</string> </molecule> </cml>
Biotin was first discovered at the turn of the 20th century as a yeast growth factor, and was named bios |CITS: [Wildiers01]|. 30 years later, the compound was purified from egg yolk by Koegl and Toennis |CITS: [Koegl36]|. In a completely unrelated research, Gyoergy and his colleagues discovered biotin in liver in 1931, and isolated it in 1941. They named it vitamin H (for the German word for skin: Haut) |CITS: [Vigneaud41]|. At the same time, another group, which was working on rhizobia, also identified it as an essential cofactor, which they named coenzyme R|CITS: [Allison38]|. Already in 1933, Gyoergy suggested that coenzyme R, bios and vitamin H were all the same molecule. The structure of biotin was solved in 1941 -1942 |CITS: [Vigneaud41B][Melville42]|. In 1949 the first evidence was published demonstrating the biochemical role of biotin in carboxylation reactions, |CITS: [Lardy49]|, and in 1958 it was suggested that biotin was probably associated with an enzyme |CITS: [13560478]|. Shortly after this finding, Lynen et al |CITS: [Lynen61]| described biotin's biological function as a cofactor in the biotin-dependent carboxylases. (This historical background is adapted from |CITS: [12658511]|).
<atom id="BIOTIN-atom1" elementType="H" x2="0.0" y2="-3.415"/> <atom id="BIOTIN-atom2" elementType="H" x2="4.2" y2="-3.415"/> <atom id="BIOTIN-atom3" elementType="O" x2="9.3005" y2="0.0"/> <atom id="BIOTIN-atom4" elementType="O" x2="2.1" y2="-6.9694"/> <atom id="BIOTIN-atom5" elementType="O" x2="10.5072" y2="-2.1033"/> <atom id="BIOTIN-atom6" elementType="C" x2="6.8718" y2="-1.3934"/> <atom id="BIOTIN-atom7" elementType="C" x2="5.6575" y2="-2.0901"/> <atom id="BIOTIN-atom8" elementType="C" x2="8.0823" y2="-2.0967"/> <atom id="BIOTIN-atom9" elementType="C" x2="4.447" y2="-1.3868"/> <atom id="BIOTIN-atom10" elementType="C" x2="0.9674" y2="-2.0835"/> <atom id="BIOTIN-atom11" elementType="N" x2="0.9674" y2="-4.7465"/> <atom id="BIOTIN-atom12" elementType="N" x2="3.2326" y2="-4.7465"/> <atom id="BIOTIN-atom13" elementType="S" x2="2.1" y2="-1.2606"/> <atom id="BIOTIN-atom14" elementType="C" x2="9.2967" y2="-1.4"/> <atom id="BIOTIN-atom15" elementType="C" x2="2.1" y2="-5.5694"/> <atom id="BIOTIN-atom16" elementType="C" x2="3.2326" y2="-2.0835"/> <atom id="BIOTIN-atom17" elementType="C" x2="1.4" y2="-3.415"/> <atom id="BIOTIN-atom18" elementType="C" x2="2.8" y2="-3.415"/> <bond id="BIOTIN-bond1" atomRefs="BIOTIN-atom17 BIOTIN-atom18" order="1"/> <bond id="BIOTIN-bond2" atomRefs="BIOTIN-atom16 BIOTIN-atom18" order="1"/> <bond id="BIOTIN-bond3" atomRefs="BIOTIN-atom13 BIOTIN-atom16" order="1"/> <bond id="BIOTIN-bond4" atomRefs="BIOTIN-atom12 BIOTIN-atom18" order="1"/> <bond id="BIOTIN-bond5" atomRefs="BIOTIN-atom12 BIOTIN-atom15" order="1"/> <bond id="BIOTIN-bond6" atomRefs="BIOTIN-atom11 BIOTIN-atom17" order="1"/> <bond id="BIOTIN-bond7" atomRefs="BIOTIN-atom11 BIOTIN-atom15" order="1"/> <bond id="BIOTIN-bond8" atomRefs="BIOTIN-atom10 BIOTIN-atom17" order="1"/> <bond id="BIOTIN-bond9" atomRefs="BIOTIN-atom10 BIOTIN-atom13" order="1"/> <bond id="BIOTIN-bond10" atomRefs="BIOTIN-atom16 BIOTIN-atom9" order="1"/> <bond id="BIOTIN-bond11" atomRefs="BIOTIN-atom8 BIOTIN-atom14" order="1"/> <bond id="BIOTIN-bond12" atomRefs="BIOTIN-atom7 BIOTIN-atom9" order="1"/> <bond id="BIOTIN-bond13" atomRefs="BIOTIN-atom6 BIOTIN-atom8" order="1"/> <bond id="BIOTIN-bond14" atomRefs="BIOTIN-atom6 BIOTIN-atom7" order="1"/> <bond id="BIOTIN-bond15" atomRefs="BIOTIN-atom5 BIOTIN-atom14" order="1"/> <bond id="BIOTIN-bond16" atomRefs="BIOTIN-atom4 BIOTIN-atom15" order="2"/> <bond id="BIOTIN-bond17" atomRefs="BIOTIN-atom3 BIOTIN-atom14" order="2"/> <bond id="BIOTIN-bond18" atomRefs="BIOTIN-atom18 BIOTIN-atom2" order="1"/> <bond id="BIOTIN-bond19" atomRefs="BIOTIN-atom17 BIOTIN-atom1" order="1"/> <formula concise="C 10 H 16 N 2 O 3 S 1" formalCharge="0"/> 244.308 C1(SC([CH]2([CH]1NC(N2)=O))CCCCC(O)=O)
<atom id="CH33ADO-atom1" elementType="H" x2="0.7126" y2="-1.6988"/> <atom id="CH33ADO-atom2" elementType="H" x2="2.9135" y2="-1.6988"/> <atom id="CH33ADO-atom3" elementType="H" x2="3.6083" y2="-1.5636"/> <atom id="CH33ADO-atom4" elementType="C" x2="0.0" y2="-3.6197"/> <atom id="CH33ADO-atom5" elementType="N" x2="1.3304" y2="-9.5364"/> <atom id="CH33ADO-atom6" elementType="O" x2="0.7126" y2="0.0"/> <atom id="CH33ADO-atom7" elementType="O" x2="2.9135" y2="0.0"/> <atom id="CH33ADO-atom8" elementType="C" x2="0.23" y2="-6.2739"/> <atom id="CH33ADO-atom9" elementType="C" x2="4.6123" y2="-6.8341"/> <atom id="CH33ADO-atom10" elementType="N" x2="0.23" y2="-7.4707"/> <atom id="CH33ADO-atom11" elementType="N" x2="3.7435" y2="-8.1273"/> <atom id="CH33ADO-atom12" elementType="N" x2="1.4268" y2="-5.4826"/> <atom id="CH33ADO-atom13" elementType="O" x2="1.8519" y2="-3.2048"/> <atom id="CH33ADO-atom14" elementType="C" x2="1.3304" y2="-8.1273"/> <atom id="CH33ADO-atom15" elementType="C" x2="2.4503" y2="-7.5677"/> <atom id="CH33ADO-atom16" elementType="C" x2="2.4503" y2="-6.2357"/> <atom id="CH33ADO-atom17" elementType="C" x2="0.0372" y2="-2.2202"/> <atom id="CH33ADO-atom18" elementType="N" x2="3.6083" y2="-5.5984"/> <atom id="CH33ADO-atom19" elementType="C" x2="0.7126" y2="-0.8494"/> <atom id="CH33ADO-atom20" elementType="C" x2="2.9135" y2="-0.8494"/> <atom id="CH33ADO-atom21" elementType="C" x2="3.6083" y2="-2.413"/> <bond id="CH33ADO-bond1" atomRefs="CH33ADO-atom20 CH33ADO-atom21" order="1"/> <bond id="CH33ADO-bond2" atomRefs="CH33ADO-atom19 CH33ADO-atom20" order="1"/> <bond id="CH33ADO-bond3" atomRefs="CH33ADO-atom21 CH33ADO-atom18" order="1"/> <bond id="CH33ADO-bond4" atomRefs="CH33ADO-atom17 CH33ADO-atom19" order="1"/> <bond id="CH33ADO-bond5" atomRefs="CH33ADO-atom18 CH33ADO-atom16" order="A"/> <bond id="CH33ADO-bond6" atomRefs="CH33ADO-atom16 CH33ADO-atom15" order="A"/> <bond id="CH33ADO-bond7" atomRefs="CH33ADO-atom15 CH33ADO-atom14" order="A"/> <bond id="CH33ADO-bond8" atomRefs="CH33ADO-atom13 CH33ADO-atom21" order="1"/> <bond id="CH33ADO-bond9" atomRefs="CH33ADO-atom13 CH33ADO-atom17" order="1"/> <bond id="CH33ADO-bond10" atomRefs="CH33ADO-atom12 CH33ADO-atom16" order="A"/> <bond id="CH33ADO-bond11" atomRefs="CH33ADO-atom15 CH33ADO-atom11" order="A"/> <bond id="CH33ADO-bond12" atomRefs="CH33ADO-atom14 CH33ADO-atom10" order="A"/> <bond id="CH33ADO-bond13" atomRefs="CH33ADO-atom9 CH33ADO-atom18" order="A"/> <bond id="CH33ADO-bond14" atomRefs="CH33ADO-atom11 CH33ADO-atom9" order="A"/> <bond id="CH33ADO-bond15" atomRefs="CH33ADO-atom8 CH33ADO-atom12" order="A"/> <bond id="CH33ADO-bond16" atomRefs="CH33ADO-atom10 CH33ADO-atom8" order="A"/> <bond id="CH33ADO-bond17" atomRefs="CH33ADO-atom20 CH33ADO-atom7" order="1"/> <bond id="CH33ADO-bond18" atomRefs="CH33ADO-atom19 CH33ADO-atom6" order="1"/> <bond id="CH33ADO-bond19" atomRefs="CH33ADO-atom5 CH33ADO-atom14" order="1"/> <bond id="CH33ADO-bond20" atomRefs="CH33ADO-atom17 CH33ADO-atom4" order="1"/> <bond id="CH33ADO-bond21" atomRefs="CH33ADO-atom3 CH33ADO-atom21" order="1"/> <bond id="CH33ADO-bond22" atomRefs="CH33ADO-atom2 CH33ADO-atom20" order="1"/> <bond id="CH33ADO-bond23" atomRefs="CH33ADO-atom1 CH33ADO-atom19" order="1"/> <formula concise="C 10 H 13 N 5 O 3" formalCharge="0"/> 251.244 CC1(O[CH]([CH](O)[CH]1O)n2(c3(c(nc2)c(N)ncn3)))
<atom id="4-CARBOXYMETHYLENEBUT-2-EN-4-OLIDE-atom1" elementType="O" x2="7.3001" y2="-1.802"/> <atom id="4-CARBOXYMETHYLENEBUT-2-EN-4-OLIDE-atom2" elementType="O" x2="0.0" y2="-2.3062"/> <atom id="4-CARBOXYMETHYLENEBUT-2-EN-4-OLIDE-atom3" elementType="O" x2="5.6775" y2="0.0"/> <atom id="4-CARBOXYMETHYLENEBUT-2-EN-4-OLIDE-atom4" elementType="C" x2="4.9282" y2="-2.3062"/> <atom id="4-CARBOXYMETHYLENEBUT-2-EN-4-OLIDE-atom5" elementType="C" x2="1.7641" y2="-0.5421"/> <atom id="4-CARBOXYMETHYLENEBUT-2-EN-4-OLIDE-atom6" elementType="C" x2="3.1641" y2="-0.5421"/> <atom id="4-CARBOXYMETHYLENEBUT-2-EN-4-OLIDE-atom7" elementType="O" x2="2.4641" y2="-2.6965"/> <atom id="4-CARBOXYMETHYLENEBUT-2-EN-4-OLIDE-atom8" elementType="C" x2="5.9686" y2="-1.3694"/> <atom id="4-CARBOXYMETHYLENEBUT-2-EN-4-OLIDE-atom9" elementType="C" x2="1.3315" y2="-1.8736"/> <atom id="4-CARBOXYMETHYLENEBUT-2-EN-4-OLIDE-atom10" elementType="C" x2="3.5967" y2="-1.8736"/> <bond id="4-CARBOXYMETHYLENEBUT-2-EN-4-OLIDE-bond1" atomRefs="4-CARBOXYMETHYLENEBUT-2-EN-4-OLIDE-atom7 4-CARBOXYMETHYLENEBUT-2-EN-4-OLIDE-atom10" order="1"/> <bond id="4-CARBOXYMETHYLENEBUT-2-EN-4-OLIDE-bond2" atomRefs="4-CARBOXYMETHYLENEBUT-2-EN-4-OLIDE-atom7 4-CARBOXYMETHYLENEBUT-2-EN-4-OLIDE-atom9" order="1"/> <bond id="4-CARBOXYMETHYLENEBUT-2-EN-4-OLIDE-bond3" atomRefs="4-CARBOXYMETHYLENEBUT-2-EN-4-OLIDE-atom6 4-CARBOXYMETHYLENEBUT-2-EN-4-OLIDE-atom10" order="1"/> <bond id="4-CARBOXYMETHYLENEBUT-2-EN-4-OLIDE-bond4" atomRefs="4-CARBOXYMETHYLENEBUT-2-EN-4-OLIDE-atom5 4-CARBOXYMETHYLENEBUT-2-EN-4-OLIDE-atom9" order="1"/> <bond id="4-CARBOXYMETHYLENEBUT-2-EN-4-OLIDE-bond5" atomRefs="4-CARBOXYMETHYLENEBUT-2-EN-4-OLIDE-atom5 4-CARBOXYMETHYLENEBUT-2-EN-4-OLIDE-atom6" order="2"/> <bond id="4-CARBOXYMETHYLENEBUT-2-EN-4-OLIDE-bond6" atomRefs="4-CARBOXYMETHYLENEBUT-2-EN-4-OLIDE-atom4 4-CARBOXYMETHYLENEBUT-2-EN-4-OLIDE-atom10" order="2"/> <bond id="4-CARBOXYMETHYLENEBUT-2-EN-4-OLIDE-bond7" atomRefs="4-CARBOXYMETHYLENEBUT-2-EN-4-OLIDE-atom4 4-CARBOXYMETHYLENEBUT-2-EN-4-OLIDE-atom8" order="1"/> <bond id="4-CARBOXYMETHYLENEBUT-2-EN-4-OLIDE-bond8" atomRefs="4-CARBOXYMETHYLENEBUT-2-EN-4-OLIDE-atom3 4-CARBOXYMETHYLENEBUT-2-EN-4-OLIDE-atom8" order="1"/> <bond id="4-CARBOXYMETHYLENEBUT-2-EN-4-OLIDE-bond9" atomRefs="4-CARBOXYMETHYLENEBUT-2-EN-4-OLIDE-atom2 4-CARBOXYMETHYLENEBUT-2-EN-4-OLIDE-atom9" order="2"/> <bond id="4-CARBOXYMETHYLENEBUT-2-EN-4-OLIDE-bond10" atomRefs="4-CARBOXYMETHYLENEBUT-2-EN-4-OLIDE-atom1 4-CARBOXYMETHYLENEBUT-2-EN-4-OLIDE-atom8" order="2"/> <formula concise="C 6 H 4 O 4" formalCharge="0"/> 140.095 C(=O)(O)C=C1(OC(=O)C=C1)
<atom id="OXOHEX-2-ENEDIOATE-atom1" elementType="O" x2="1.2124" y2="-5.6"/> <atom id="OXOHEX-2-ENEDIOATE-atom2" elementType="O" x2="4.8497" y2="-2.1"/> <atom id="OXOHEX-2-ENEDIOATE-atom3" elementType="O" x2="1.2125" y2="0.0"/> <atom id="OXOHEX-2-ENEDIOATE-atom4" elementType="O" x2="2.4249" y2="-3.5"/> <atom id="OXOHEX-2-ENEDIOATE-atom5" elementType="O" x2="3.6372" y2="0.0"/> <atom id="OXOHEX-2-ENEDIOATE-atom6" elementType="C" x2="0.0" y2="-3.5"/> <atom id="OXOHEX-2-ENEDIOATE-atom7" elementType="C" x2="0.0" y2="-2.1"/> <atom id="OXOHEX-2-ENEDIOATE-atom8" elementType="C" x2="2.4249" y2="-2.1"/> <atom id="OXOHEX-2-ENEDIOATE-atom9" elementType="C" x2="1.2124" y2="-4.2"/> <atom id="OXOHEX-2-ENEDIOATE-atom10" elementType="C" x2="3.6373" y2="-1.4"/> <atom id="OXOHEX-2-ENEDIOATE-atom11" elementType="C" x2="1.2125" y2="-1.4"/> <bond id="OXOHEX-2-ENEDIOATE-bond1" atomRefs="OXOHEX-2-ENEDIOATE-atom8 OXOHEX-2-ENEDIOATE-atom11" order="1"/> <bond id="OXOHEX-2-ENEDIOATE-bond2" atomRefs="OXOHEX-2-ENEDIOATE-atom8 OXOHEX-2-ENEDIOATE-atom10" order="1"/> <bond id="OXOHEX-2-ENEDIOATE-bond3" atomRefs="OXOHEX-2-ENEDIOATE-atom7 OXOHEX-2-ENEDIOATE-atom11" order="1"/> <bond id="OXOHEX-2-ENEDIOATE-bond4" atomRefs="OXOHEX-2-ENEDIOATE-atom6 OXOHEX-2-ENEDIOATE-atom9" order="1"/> <bond id="OXOHEX-2-ENEDIOATE-bond5" atomRefs="OXOHEX-2-ENEDIOATE-atom6 OXOHEX-2-ENEDIOATE-atom7" order="2"/> <bond id="OXOHEX-2-ENEDIOATE-bond6" atomRefs="OXOHEX-2-ENEDIOATE-atom5 OXOHEX-2-ENEDIOATE-atom10" order="1"/> <bond id="OXOHEX-2-ENEDIOATE-bond7" atomRefs="OXOHEX-2-ENEDIOATE-atom4 OXOHEX-2-ENEDIOATE-atom9" order="1"/> <bond id="OXOHEX-2-ENEDIOATE-bond8" atomRefs="OXOHEX-2-ENEDIOATE-atom3 OXOHEX-2-ENEDIOATE-atom11" order="2"/> <bond id="OXOHEX-2-ENEDIOATE-bond9" atomRefs="OXOHEX-2-ENEDIOATE-atom2 OXOHEX-2-ENEDIOATE-atom10" order="2"/> <bond id="OXOHEX-2-ENEDIOATE-bond10" atomRefs="OXOHEX-2-ENEDIOATE-atom1 OXOHEX-2-ENEDIOATE-atom9" order="2"/> <formula concise="C 6 H 6 O 5" formalCharge="0"/> 158.11 C(=O)(O)C=CC(=O)CC(O)=O
There are two variations of the molecular structure, and we've illustrated only one here. Either an end carbon or a middle carbon of the glycerol is attached to the phosphocholine, and each of the remaining two carbons of the glycerol is attached to a fatty acid.
<cml> <molecule id="PHOSPHATIDYLCHOLINE" title="a phosphatidylcholine" dictRef="dictPHOSPHATIDYLCHOLINE"> <atomArray> <atom id="PHOSPHATIDYLCHOLINE-atom1" elementType="C" x2="0.5973377" y2="-0.797005"/> <atom id="PHOSPHATIDYLCHOLINE-atom2" elementType="O" x2="-1.0" y2="-0.098169744"/> <atom id="PHOSPHATIDYLCHOLINE-atom3" elementType="C" x2="0.99667215" y2="-0.797005"/> <atom id="PHOSPHATIDYLCHOLINE-atom4" elementType="C" x2="-0.40765393" y2="-0.45424294"/> <atom id="PHOSPHATIDYLCHOLINE-atom5" elementType="O" x2="0.29450917" y2="-0.6239601"/> <atom id="PHOSPHATIDYLCHOLINE-atom6" elementType="O" x2="-0.5108153" y2="-0.6239601"/> <atom id="PHOSPHATIDYLCHOLINE-atom7" elementType="O" x2="0.09484196" y2="-0.8269551"/> <atom id="PHOSPHATIDYLCHOLINE-atom8" elementType="C" x2="-0.20798671" y2="-0.45424294"/> <atom id="PHOSPHATIDYLCHOLINE-atom9" elementType="N" x2="0.79700494" y2="-0.797005" formalCharge="1"/> <atom id="PHOSPHATIDYLCHOLINE-atom10" elementType="O" x2="-0.70382696" y2="-0.27787024"/> <atom id="PHOSPHATIDYLCHOLINE-atom11" elementType="O" x2="-0.10482532" y2="-0.6239601"/> <atom id="PHOSPHATIDYLCHOLINE-atom12" elementType="O" x2="0.09484196" y2="-0.42429286"/> <atom id="PHOSPHATIDYLCHOLINE-atom13" elementType="R2" x2="-0.6971714" y2="0.07487512"/> <atom id="PHOSPHATIDYLCHOLINE-atom14" elementType="C" x2="-0.50415975" y2="-0.27787024"/> <atom id="PHOSPHATIDYLCHOLINE-atom15" elementType="P" x2="0.09484196" y2="-0.6239601"/> <atom id="PHOSPHATIDYLCHOLINE-atom16" elementType="C" x2="-0.71048254" y2="-0.6239601"/> <atom id="PHOSPHATIDYLCHOLINE-atom17" elementType="C" x2="0.4941764" y2="-0.6239601"/> <atom id="PHOSPHATIDYLCHOLINE-atom18" elementType="C" x2="0.79700494" y2="-0.5973378"/> <atom id="PHOSPHATIDYLCHOLINE-atom19" elementType="R1" x2="-0.80698836" y2="-0.44425958"/> <atom id="PHOSPHATIDYLCHOLINE-atom20" elementType="C" x2="-0.8003328" y2="-0.098169744"/> <atom id="PHOSPHATIDYLCHOLINE-atom21" elementType="O" x2="-0.81364393" y2="-0.7903494"/> <atom id="PHOSPHATIDYLCHOLINE-atom22" elementType="C" x2="0.79700494" y2="-1.0"/> </atomArray> <bondArray> <bond id="PHOSPHATIDYLCHOLINE-bond1" atomRefs="PHOSPHATIDYLCHOLINE-atom22 PHOSPHATIDYLCHOLINE-atom9" order="1"/> <bond id="PHOSPHATIDYLCHOLINE-bond2" atomRefs="PHOSPHATIDYLCHOLINE-atom21 PHOSPHATIDYLCHOLINE-atom16" order="2"/> <bond id="PHOSPHATIDYLCHOLINE-bond3" atomRefs="PHOSPHATIDYLCHOLINE-atom19 PHOSPHATIDYLCHOLINE-atom16" order="1"/> <bond id="PHOSPHATIDYLCHOLINE-bond4" atomRefs="PHOSPHATIDYLCHOLINE-atom18 PHOSPHATIDYLCHOLINE-atom9" order="1"/> <bond id="PHOSPHATIDYLCHOLINE-bond5" atomRefs="PHOSPHATIDYLCHOLINE-atom17 PHOSPHATIDYLCHOLINE-atom5" order="1"/> <bond id="PHOSPHATIDYLCHOLINE-bond6" atomRefs="PHOSPHATIDYLCHOLINE-atom17 PHOSPHATIDYLCHOLINE-atom1" order="1"/> <bond id="PHOSPHATIDYLCHOLINE-bond7" atomRefs="PHOSPHATIDYLCHOLINE-atom14 PHOSPHATIDYLCHOLINE-atom4" order="1"/> <bond id="PHOSPHATIDYLCHOLINE-bond8" atomRefs="PHOSPHATIDYLCHOLINE-atom14 PHOSPHATIDYLCHOLINE-atom10" order="1"/> <bond id="PHOSPHATIDYLCHOLINE-bond9" atomRefs="PHOSPHATIDYLCHOLINE-atom13 PHOSPHATIDYLCHOLINE-atom20" order="1"/> <bond id="PHOSPHATIDYLCHOLINE-bond10" atomRefs="PHOSPHATIDYLCHOLINE-atom12 PHOSPHATIDYLCHOLINE-atom15" order="1"/> <bond id="PHOSPHATIDYLCHOLINE-bond11" atomRefs="PHOSPHATIDYLCHOLINE-atom11 PHOSPHATIDYLCHOLINE-atom15" order="1"/> <bond id="PHOSPHATIDYLCHOLINE-bond12" atomRefs="PHOSPHATIDYLCHOLINE-atom11 PHOSPHATIDYLCHOLINE-atom8" order="1"/> <bond id="PHOSPHATIDYLCHOLINE-bond13" atomRefs="PHOSPHATIDYLCHOLINE-atom10 PHOSPHATIDYLCHOLINE-atom20" order="1"/> <bond id="PHOSPHATIDYLCHOLINE-bond14" atomRefs="PHOSPHATIDYLCHOLINE-atom8 PHOSPHATIDYLCHOLINE-atom4" order="1"/> <bond id="PHOSPHATIDYLCHOLINE-bond15" atomRefs="PHOSPHATIDYLCHOLINE-atom7 PHOSPHATIDYLCHOLINE-atom15" order="2"/> <bond id="PHOSPHATIDYLCHOLINE-bond16" atomRefs="PHOSPHATIDYLCHOLINE-atom6 PHOSPHATIDYLCHOLINE-atom4" order="1"/> <bond id="PHOSPHATIDYLCHOLINE-bond17" atomRefs="PHOSPHATIDYLCHOLINE-atom6 PHOSPHATIDYLCHOLINE-atom16" order="1"/> <bond id="PHOSPHATIDYLCHOLINE-bond18" atomRefs="PHOSPHATIDYLCHOLINE-atom5 PHOSPHATIDYLCHOLINE-atom15" order="1"/> <bond id="PHOSPHATIDYLCHOLINE-bond19" atomRefs="PHOSPHATIDYLCHOLINE-atom3 PHOSPHATIDYLCHOLINE-atom9" order="1"/> <bond id="PHOSPHATIDYLCHOLINE-bond20" atomRefs="PHOSPHATIDYLCHOLINE-atom2 PHOSPHATIDYLCHOLINE-atom20" order="2"/> <bond id="PHOSPHATIDYLCHOLINE-bond21" atomRefs="PHOSPHATIDYLCHOLINE-atom1 PHOSPHATIDYLCHOLINE-atom9" order="1"/> </bondArray> <formula concise="C 10 H 19 N 1 O 8 R2 1 R1 1 P 1" formalCharge="0"/> <string title="smiles">C([N+](C)(C)C)COP(=O)(O)OCC(OC(=O)[R1])COC([R2])=O</string> </molecule> </cml>
a 1,2-diacyl-sn-glycero-3-phosphocholine
Lysolecithins, or acyl-snglycero-3-phosphocholines, are derivatives of phosphatidylcholine, resulting from hydrolytic removal of one of the two acyl groups. The instances of this class include different variations based on the specific acyl group which has been removed. The structure below is an example of such an instance.
<cml> <molecule id="1-Acylglycero-Phosphocholines" title="a 1-acyl-2-lyso-glycerophosphocholine" dictRef="dict1-Acylglycero-Phosphocholines"> <atomArray> <atom id="1-Acylglycero-Phosphocholines-atom1" elementType="C" x2="12.2718" y2="-4.933"/> <atom id="1-Acylglycero-Phosphocholines-atom2" elementType="C" x2="12.9724" y2="-3.3915"/> <atom id="1-Acylglycero-Phosphocholines-atom3" elementType="C" x2="10.2258" y2="-4.8769"/> <atom id="1-Acylglycero-Phosphocholines-atom4" elementType="O" x2="2.1265" y2="-6.2032"/> <atom id="1-Acylglycero-Phosphocholines-atom5" elementType="O" x2="7.4787" y2="-2.5786"/> <atom id="1-Acylglycero-Phosphocholines-atom6" elementType="O" x2="3.4182" y2="-1.3235"/> <atom id="1-Acylglycero-Phosphocholines-atom7" elementType="O" x2="7.4787" y2="0.0" formalCharge="-1"/> <atom id="1-Acylglycero-Phosphocholines-atom8" elementType="R" x2="0.0" y2="-5.0378"/> <atom id="1-Acylglycero-Phosphocholines-atom9" elementType="C" x2="9.3567" y2="-2.3263"/> <atom id="1-Acylglycero-Phosphocholines-atom10" elementType="C" x2="10.5899" y2="-2.3263"/> <atom id="1-Acylglycero-Phosphocholines-atom11" elementType="C" x2="3.4721" y2="-3.7478"/> <atom id="1-Acylglycero-Phosphocholines-atom12" elementType="C" x2="5.5446" y2="-2.4889"/> <atom id="1-Acylglycero-Phosphocholines-atom13" elementType="O" x2="2.0725" y2="-3.779"/> <atom id="1-Acylglycero-Phosphocholines-atom14" elementType="O" x2="8.7118" y2="-1.2331"/> <atom id="1-Acylglycero-Phosphocholines-atom15" elementType="O" x2="6.2175" y2="-1.2612"/> <atom id="1-Acylglycero-Phosphocholines-atom16" elementType="C" x2="1.3997" y2="-5.0067"/> <atom id="1-Acylglycero-Phosphocholines-atom17" elementType="C" x2="4.145" y2="-2.5201"/> <atom id="1-Acylglycero-Phosphocholines-atom18" elementType="N" x2="11.2067" y2="-3.3915" formalCharge="1"/> <atom id="1-Acylglycero-Phosphocholines-atom19" elementType="P" x2="7.4787" y2="-1.2331"/> </atomArray> <bondArray> <bond id="1-Acylglycero-Phosphocholines-bond1" atomRefs="1-Acylglycero-Phosphocholines-atom15 1-Acylglycero-Phosphocholines-atom19" order="1"/> <bond id="1-Acylglycero-Phosphocholines-bond2" atomRefs="1-Acylglycero-Phosphocholines-atom14 1-Acylglycero-Phosphocholines-atom19" order="1"/> <bond id="1-Acylglycero-Phosphocholines-bond3" atomRefs="1-Acylglycero-Phosphocholines-atom13 1-Acylglycero-Phosphocholines-atom16" order="1"/> <bond id="1-Acylglycero-Phosphocholines-bond4" atomRefs="1-Acylglycero-Phosphocholines-atom12 1-Acylglycero-Phosphocholines-atom17" order="1"/> <bond id="1-Acylglycero-Phosphocholines-bond5" atomRefs="1-Acylglycero-Phosphocholines-atom12 1-Acylglycero-Phosphocholines-atom15" order="1"/> <bond id="1-Acylglycero-Phosphocholines-bond6" atomRefs="1-Acylglycero-Phosphocholines-atom11 1-Acylglycero-Phosphocholines-atom17" order="1"/> <bond id="1-Acylglycero-Phosphocholines-bond7" atomRefs="1-Acylglycero-Phosphocholines-atom11 1-Acylglycero-Phosphocholines-atom13" order="1"/> <bond id="1-Acylglycero-Phosphocholines-bond8" atomRefs="1-Acylglycero-Phosphocholines-atom10 1-Acylglycero-Phosphocholines-atom18" order="1"/> <bond id="1-Acylglycero-Phosphocholines-bond9" atomRefs="1-Acylglycero-Phosphocholines-atom9 1-Acylglycero-Phosphocholines-atom14" order="1"/> <bond id="1-Acylglycero-Phosphocholines-bond10" atomRefs="1-Acylglycero-Phosphocholines-atom9 1-Acylglycero-Phosphocholines-atom10" order="1"/> <bond id="1-Acylglycero-Phosphocholines-bond11" atomRefs="1-Acylglycero-Phosphocholines-atom8 1-Acylglycero-Phosphocholines-atom16" order="1"/> <bond id="1-Acylglycero-Phosphocholines-bond12" atomRefs="1-Acylglycero-Phosphocholines-atom7 1-Acylglycero-Phosphocholines-atom19" order="1"/> <bond id="1-Acylglycero-Phosphocholines-bond13" atomRefs="1-Acylglycero-Phosphocholines-atom6 1-Acylglycero-Phosphocholines-atom17" order="1"/> <bond id="1-Acylglycero-Phosphocholines-bond14" atomRefs="1-Acylglycero-Phosphocholines-atom5 1-Acylglycero-Phosphocholines-atom19" order="2"/> <bond id="1-Acylglycero-Phosphocholines-bond15" atomRefs="1-Acylglycero-Phosphocholines-atom4 1-Acylglycero-Phosphocholines-atom16" order="2"/> <bond id="1-Acylglycero-Phosphocholines-bond16" atomRefs="1-Acylglycero-Phosphocholines-atom3 1-Acylglycero-Phosphocholines-atom18" order="1"/> <bond id="1-Acylglycero-Phosphocholines-bond17" atomRefs="1-Acylglycero-Phosphocholines-atom2 1-Acylglycero-Phosphocholines-atom18" order="1"/> <bond id="1-Acylglycero-Phosphocholines-bond18" atomRefs="1-Acylglycero-Phosphocholines-atom1 1-Acylglycero-Phosphocholines-atom18" order="1"/> </bondArray> <formula concise="C 9 H 19 N 1 O 7 R 1 P 1" formalCharge="0"/> </molecule> </cml>
<cml> <molecule id="Carboxylates" title="a carboxylate" dictRef="dictCarboxylates"> <atomArray> <atom id="Carboxylates-atom1" elementType="O" x2="1.1737" y2="-2.193"/> <atom id="Carboxylates-atom2" elementType="O" x2="2.3331" y2="-0.0388"/> <atom id="Carboxylates-atom3" elementType="R" x2="0.0" y2="0.0"/> <atom id="Carboxylates-atom4" elementType="C" x2="1.1537" y2="-0.7931"/> </atomArray> <bondArray> <bond id="Carboxylates-bond1" atomRefs="Carboxylates-atom3 Carboxylates-atom4" order="1"/> <bond id="Carboxylates-bond2" atomRefs="Carboxylates-atom2 Carboxylates-atom4" order="1"/> <bond id="Carboxylates-bond3" atomRefs="Carboxylates-atom1 Carboxylates-atom4" order="2"/> </bondArray> <formula concise="C 1 H 1 O 2 R 1" formalCharge="0"/> </molecule> </cml>
intracellular membrane-associated calcium-independent phospholipase A2 γ
<cml> <molecule id="TRIACYLGLYCEROL" title="triacylglycerol" dictRef="dictTRIACYLGLYCEROL"> <atomArray> <atom id="TRIACYLGLYCEROL-atom1" elementType="O" x2="2.1434" y2="-1.2375"/> <atom id="TRIACYLGLYCEROL-atom2" elementType="O" x2="0.7145" y2="-2.8876"/> <atom id="TRIACYLGLYCEROL-atom3" elementType="R1" x2="2.858" y2="0.0"/> <atom id="TRIACYLGLYCEROL-atom4" elementType="R1" x2="2.1434" y2="-2.8876"/> <atom id="TRIACYLGLYCEROL-atom5" elementType="C" x2="0.0" y2="-1.65"/> <atom id="TRIACYLGLYCEROL-atom6" elementType="C" x2="0.7145" y2="-0.4125"/> <atom id="TRIACYLGLYCEROL-atom7" elementType="O" x2="1.4289" y2="0.0"/> <atom id="TRIACYLGLYCEROL-atom8" elementType="O" x2="1.4289" y2="-1.65"/> <atom id="TRIACYLGLYCEROL-atom9" elementType="C" x2="2.1434" y2="-0.4125"/> <atom id="TRIACYLGLYCEROL-atom10" elementType="C" x2="1.4289" y2="-2.4751"/> <atom id="TRIACYLGLYCEROL-atom11" elementType="C" x2="0.7145" y2="-1.2375"/> <atom id="TRIACYLGLYCEROL-atom12" elementType="O" x2="0.0" y2="-2.4751"/> <atom id="TRIACYLGLYCEROL-atom13" elementType="R3" x2="-1.4289" y2="-2.4751"/> <atom id="TRIACYLGLYCEROL-atom14" elementType="C" x2="-0.7145" y2="-2.9553"/> <atom id="TRIACYLGLYCEROL-atom15" elementType="O" x2="-0.7145" y2="-3.7803"/> </atomArray> <bondArray> <bond id="TRIACYLGLYCEROL-bond1" atomRefs="TRIACYLGLYCEROL-atom14 TRIACYLGLYCEROL-atom15" order="2"/> <bond id="TRIACYLGLYCEROL-bond2" atomRefs="TRIACYLGLYCEROL-atom14 TRIACYLGLYCEROL-atom13" order="1"/> <bond id="TRIACYLGLYCEROL-bond3" atomRefs="TRIACYLGLYCEROL-atom12 TRIACYLGLYCEROL-atom14" order="1"/> <bond id="TRIACYLGLYCEROL-bond4" atomRefs="TRIACYLGLYCEROL-atom11 TRIACYLGLYCEROL-atom8" order="1"/> <bond id="TRIACYLGLYCEROL-bond5" atomRefs="TRIACYLGLYCEROL-atom8 TRIACYLGLYCEROL-atom10" order="1"/> <bond id="TRIACYLGLYCEROL-bond6" atomRefs="TRIACYLGLYCEROL-atom7 TRIACYLGLYCEROL-atom9" order="1"/> <bond id="TRIACYLGLYCEROL-bond7" atomRefs="TRIACYLGLYCEROL-atom6 TRIACYLGLYCEROL-atom11" order="1"/> <bond id="TRIACYLGLYCEROL-bond8" atomRefs="TRIACYLGLYCEROL-atom6 TRIACYLGLYCEROL-atom7" order="1"/> <bond id="TRIACYLGLYCEROL-bond9" atomRefs="TRIACYLGLYCEROL-atom5 TRIACYLGLYCEROL-atom11" order="1"/> <bond id="TRIACYLGLYCEROL-bond10" atomRefs="TRIACYLGLYCEROL-atom4 TRIACYLGLYCEROL-atom10" order="1"/> <bond id="TRIACYLGLYCEROL-bond11" atomRefs="TRIACYLGLYCEROL-atom3 TRIACYLGLYCEROL-atom9" order="1"/> <bond id="TRIACYLGLYCEROL-bond12" atomRefs="TRIACYLGLYCEROL-atom12 TRIACYLGLYCEROL-atom5" order="1"/> <bond id="TRIACYLGLYCEROL-bond13" atomRefs="TRIACYLGLYCEROL-atom2 TRIACYLGLYCEROL-atom10" order="2"/> <bond id="TRIACYLGLYCEROL-bond14" atomRefs="TRIACYLGLYCEROL-atom1 TRIACYLGLYCEROL-atom9" order="2"/> </bondArray> <formula concise="C 6 H 5 O 6 R1 2 R3 1" formalCharge="0"/> <string title="smiles">C(OC(=O)[R3])C(OC([R1])=O)COC([R1])=O</string> </molecule> </cml>
<atom id="3-P-SERINE-atom1" elementType="O" x2="0.04" y2="0.04923"/> <atom id="3-P-SERINE-atom2" elementType="O" x2="0.51385" y2="0.52308"/> <atom id="3-P-SERINE-atom3" elementType="P" x2="0.04" y2="0.52308"/> <atom id="3-P-SERINE-atom4" elementType="O" x2="0.04" y2="0.99692"/> <atom id="3-P-SERINE-atom5" elementType="C" x2="-1.0" y2="0.52308"/> <atom id="3-P-SERINE-atom6" elementType="C" x2="-1.0" y2="-0.01846"/> <atom id="3-P-SERINE-atom7" elementType="N" x2="-0.52615" y2="-0.01846"/> <atom id="3-P-SERINE-atom8" elementType="O" x2="-0.52615" y2="-0.52615"/> <atom id="3-P-SERINE-atom9" elementType="C" x2="-1.0" y2="-0.52615"/> <atom id="3-P-SERINE-atom10" elementType="O" x2="-1.0" y2="-1.0"/> <atom id="3-P-SERINE-atom11" elementType="O" x2="-0.50769" y2="0.52308"/> <bond id="3-P-SERINE-bond1" atomRefs="3-P-SERINE-atom11 3-P-SERINE-atom3" order="1"/> <bond id="3-P-SERINE-bond2" atomRefs="3-P-SERINE-atom10 3-P-SERINE-atom9" order="1"/> <bond id="3-P-SERINE-bond3" atomRefs="3-P-SERINE-atom9 3-P-SERINE-atom6" order="1"/> <bond id="3-P-SERINE-bond4" atomRefs="3-P-SERINE-atom8 3-P-SERINE-atom9" order="2"/> <bond id="3-P-SERINE-bond5" atomRefs="3-P-SERINE-atom7 3-P-SERINE-atom6" order="1"/> <bond id="3-P-SERINE-bond6" atomRefs="3-P-SERINE-atom6 3-P-SERINE-atom5" order="1"/> <bond id="3-P-SERINE-bond7" atomRefs="3-P-SERINE-atom5 3-P-SERINE-atom11" order="1"/> <bond id="3-P-SERINE-bond8" atomRefs="3-P-SERINE-atom4 3-P-SERINE-atom3" order="2"/> <bond id="3-P-SERINE-bond9" atomRefs="3-P-SERINE-atom2 3-P-SERINE-atom3" order="1"/> <bond id="3-P-SERINE-bond10" atomRefs="3-P-SERINE-atom1 3-P-SERINE-atom3" order="1"/> <formula concise="C 3 H 8 N 1 O 6 P 1" formalCharge="0"/> 185.073 C(C(N)C(O)=O)OP(O)(=O)O
<atom id="d-sedoheptulose-1,7-p_{2}-atom1" elementType="C" x2="2.6083" y2="-1.7208"/> <atom id="d-sedoheptulose-1,7-p_{2}-atom2" elementType="C" x2="2.6083" y2="-0.3083"/> <atom id="d-sedoheptulose-1,7-p_{2}-atom3" elementType="C" x2="2.6083" y2="0.4417"/> <atom id="d-sedoheptulose-1,7-p_{2}-atom4" elementType="C" x2="2.6083" y2="1.1917"/> <atom id="d-sedoheptulose-1,7-p_{2}-atom5" elementType="O" x2="3.3583" y2="-0.3083"/> <atom id="d-sedoheptulose-1,7-p_{2}-atom6" elementType="O" x2="1.8583" y2="0.4417"/> <atom id="d-sedoheptulose-1,7-p_{2}-atom7" elementType="C" x2="2.6083" y2="1.9417"/> <atom id="d-sedoheptulose-1,7-p_{2}-atom8" elementType="O" x2="3.3583" y2="1.1917"/> <atom id="d-sedoheptulose-1,7-p_{2}-atom9" elementType="O" x2="3.3583" y2="1.9417"/> <atom id="d-sedoheptulose-1,7-p_{2}-atom10" elementType="C" x2="2.6083" y2="2.6917"/> <atom id="d-sedoheptulose-1,7-p_{2}-atom11" elementType="O" x2="3.3583" y2="2.6917"/> <atom id="d-sedoheptulose-1,7-p_{2}-atom12" elementType="C" x2="2.6083" y2="3.4417"/> <atom id="d-sedoheptulose-1,7-p_{2}-atom13" elementType="O" x2="1.9819" y2="3.8615"/> <atom id="d-sedoheptulose-1,7-p_{2}-atom14" elementType="P" x2="1.2134" y2="3.8741"/> <atom id="d-sedoheptulose-1,7-p_{2}-atom15" elementType="O" x2="1.2147" y2="4.8573"/> <atom id="d-sedoheptulose-1,7-p_{2}-atom16" elementType="O" x2="1.2021" y2="3.0534"/> <atom id="d-sedoheptulose-1,7-p_{2}-atom17" elementType="O" x2="0.304" y2="3.8584"/> <atom id="d-sedoheptulose-1,7-p_{2}-atom18" elementType="O" x2="3.2594" y2="-2.0982"/> <atom id="d-sedoheptulose-1,7-p_{2}-atom19" elementType="P" x2="4.0094" y2="-2.0948"/> <atom id="d-sedoheptulose-1,7-p_{2}-atom20" elementType="O" x2="4.8485" y2="-2.1231"/> <atom id="d-sedoheptulose-1,7-p_{2}-atom21" elementType="O" x2="4.02" y2="-1.1608"/> <atom id="d-sedoheptulose-1,7-p_{2}-atom22" elementType="O" x2="3.98" y2="-3.0421"/> <bond id="d-sedoheptulose-1,7-p_{2}-bond1" atomRefs="d-sedoheptulose-1,7-p_{2}-atom19 d-sedoheptulose-1,7-p_{2}-atom22" order="1"/> <bond id="d-sedoheptulose-1,7-p_{2}-bond2" atomRefs="d-sedoheptulose-1,7-p_{2}-atom19 d-sedoheptulose-1,7-p_{2}-atom21" order="2"/> <bond id="d-sedoheptulose-1,7-p_{2}-bond3" atomRefs="d-sedoheptulose-1,7-p_{2}-atom19 d-sedoheptulose-1,7-p_{2}-atom20" order="1"/> <bond id="d-sedoheptulose-1,7-p_{2}-bond4" atomRefs="d-sedoheptulose-1,7-p_{2}-atom18 d-sedoheptulose-1,7-p_{2}-atom19" order="1"/> <bond id="d-sedoheptulose-1,7-p_{2}-bond5" atomRefs="d-sedoheptulose-1,7-p_{2}-atom1 d-sedoheptulose-1,7-p_{2}-atom18" order="1"/> <bond id="d-sedoheptulose-1,7-p_{2}-bond6" atomRefs="d-sedoheptulose-1,7-p_{2}-atom14 d-sedoheptulose-1,7-p_{2}-atom17" order="2"/> <bond id="d-sedoheptulose-1,7-p_{2}-bond7" atomRefs="d-sedoheptulose-1,7-p_{2}-atom14 d-sedoheptulose-1,7-p_{2}-atom16" order="1"/> <bond id="d-sedoheptulose-1,7-p_{2}-bond8" atomRefs="d-sedoheptulose-1,7-p_{2}-atom14 d-sedoheptulose-1,7-p_{2}-atom15" order="1"/> <bond id="d-sedoheptulose-1,7-p_{2}-bond9" atomRefs="d-sedoheptulose-1,7-p_{2}-atom13 d-sedoheptulose-1,7-p_{2}-atom14" order="1"/> <bond id="d-sedoheptulose-1,7-p_{2}-bond10" atomRefs="d-sedoheptulose-1,7-p_{2}-atom12 d-sedoheptulose-1,7-p_{2}-atom13" order="1"/> <bond id="d-sedoheptulose-1,7-p_{2}-bond11" atomRefs="d-sedoheptulose-1,7-p_{2}-atom10 d-sedoheptulose-1,7-p_{2}-atom12" order="1"/> <bond id="d-sedoheptulose-1,7-p_{2}-bond12" atomRefs="d-sedoheptulose-1,7-p_{2}-atom10 d-sedoheptulose-1,7-p_{2}-atom11" order="1"/> <bond id="d-sedoheptulose-1,7-p_{2}-bond13" atomRefs="d-sedoheptulose-1,7-p_{2}-atom7 d-sedoheptulose-1,7-p_{2}-atom10" order="1"/> <bond id="d-sedoheptulose-1,7-p_{2}-bond14" atomRefs="d-sedoheptulose-1,7-p_{2}-atom7 d-sedoheptulose-1,7-p_{2}-atom9" order="1"/> <bond id="d-sedoheptulose-1,7-p_{2}-bond15" atomRefs="d-sedoheptulose-1,7-p_{2}-atom4 d-sedoheptulose-1,7-p_{2}-atom8" order="1"/> <bond id="d-sedoheptulose-1,7-p_{2}-bond16" atomRefs="d-sedoheptulose-1,7-p_{2}-atom4 d-sedoheptulose-1,7-p_{2}-atom7" order="1"/> <bond id="d-sedoheptulose-1,7-p_{2}-bond17" atomRefs="d-sedoheptulose-1,7-p_{2}-atom3 d-sedoheptulose-1,7-p_{2}-atom6" order="1"/> <bond id="d-sedoheptulose-1,7-p_{2}-bond18" atomRefs="d-sedoheptulose-1,7-p_{2}-atom2 d-sedoheptulose-1,7-p_{2}-atom5" order="2"/> <bond id="d-sedoheptulose-1,7-p_{2}-bond19" atomRefs="d-sedoheptulose-1,7-p_{2}-atom3 d-sedoheptulose-1,7-p_{2}-atom4" order="1"/> <bond id="d-sedoheptulose-1,7-p_{2}-bond20" atomRefs="d-sedoheptulose-1,7-p_{2}-atom2 d-sedoheptulose-1,7-p_{2}-atom3" order="1"/> <bond id="d-sedoheptulose-1,7-p_{2}-bond21" atomRefs="d-sedoheptulose-1,7-p_{2}-atom1 d-sedoheptulose-1,7-p_{2}-atom2" order="1"/> <formula concise="C 7 H 16 O 13 P 2" formalCharge="0"/> 370.143 C(OP(=O)(O)O)C(=O)C(O)C(O)C(O)C(O)COP(O)(=O)O
<atom id="TREHALOSE-atom1" elementType="C" x2="3.5798" y2="3.6116"/> <atom id="TREHALOSE-atom2" elementType="C" x2="3.5798" y2="4.4395"/> <atom id="TREHALOSE-atom3" elementType="C" x2="2.8707" y2="4.858"/> <atom id="TREHALOSE-atom4" elementType="C" x2="2.1526" y2="4.4395"/> <atom id="TREHALOSE-atom5" elementType="C" x2="2.1526" y2="3.6116"/> <atom id="TREHALOSE-atom6" elementType="O" x2="2.8707" y2="3.2022"/> <atom id="TREHALOSE-atom7" elementType="C" x2="4.2889" y2="3.2022"/> <atom id="TREHALOSE-atom8" elementType="O" x2="2.873" y2="5.6767"/> <atom id="TREHALOSE-atom9" elementType="O" x2="4.2908" y2="4.8455"/> <atom id="TREHALOSE-atom10" elementType="O" x2="1.1171" y2="3.0047"/> <atom id="TREHALOSE-atom11" elementType="O" x2="1.4427" y2="4.6428"/> <atom id="TREHALOSE-atom12" elementType="O" x2="4.9979" y2="3.6116"/> <atom id="TREHALOSE-atom13" elementType="C" x2="-1.4146" y2="3.6116"/> <atom id="TREHALOSE-atom14" elementType="C" x2="-1.4146" y2="4.4395"/> <atom id="TREHALOSE-atom15" elementType="C" x2="-0.7056" y2="4.858"/> <atom id="TREHALOSE-atom16" elementType="C" x2="0.0126" y2="4.4395"/> <atom id="TREHALOSE-atom17" elementType="C" x2="0.0126" y2="3.6116"/> <atom id="TREHALOSE-atom18" elementType="O" x2="-0.7056" y2="3.2022"/> <atom id="TREHALOSE-atom19" elementType="C" x2="-2.1237" y2="3.2022"/> <atom id="TREHALOSE-atom20" elementType="O" x2="-0.7078" y2="5.6767"/> <atom id="TREHALOSE-atom21" elementType="O" x2="-2.1256" y2="4.8455"/> <atom id="TREHALOSE-atom22" elementType="O" x2="0.6269" y2="5.234"/> <atom id="TREHALOSE-atom23" elementType="O" x2="-2.8328" y2="3.6116"/> <bond id="TREHALOSE-bond1" atomRefs="TREHALOSE-atom1 TREHALOSE-atom6" order="1"/> <bond id="TREHALOSE-bond2" atomRefs="TREHALOSE-atom1 TREHALOSE-atom2" order="1"/> <bond id="TREHALOSE-bond3" atomRefs="TREHALOSE-atom2 TREHALOSE-atom3" order="1"/> <bond id="TREHALOSE-bond4" atomRefs="TREHALOSE-atom3 TREHALOSE-atom4" order="1"/> <bond id="TREHALOSE-bond5" atomRefs="TREHALOSE-atom4 TREHALOSE-atom5" order="1"/> <bond id="TREHALOSE-bond6" atomRefs="TREHALOSE-atom5 TREHALOSE-atom6" order="1"/> <bond id="TREHALOSE-bond7" atomRefs="TREHALOSE-atom1 TREHALOSE-atom7" order="1"/> <bond id="TREHALOSE-bond8" atomRefs="TREHALOSE-atom3 TREHALOSE-atom8" order="1"/> <bond id="TREHALOSE-bond9" atomRefs="TREHALOSE-atom2 TREHALOSE-atom9" order="1"/> <bond id="TREHALOSE-bond10" atomRefs="TREHALOSE-atom5 TREHALOSE-atom10" order="1"/> <bond id="TREHALOSE-bond11" atomRefs="TREHALOSE-atom4 TREHALOSE-atom11" order="1"/> <bond id="TREHALOSE-bond12" atomRefs="TREHALOSE-atom7 TREHALOSE-atom12" order="1"/> <bond id="TREHALOSE-bond13" atomRefs="TREHALOSE-atom13 TREHALOSE-atom18" order="1"/> <bond id="TREHALOSE-bond14" atomRefs="TREHALOSE-atom13 TREHALOSE-atom14" order="1"/> <bond id="TREHALOSE-bond15" atomRefs="TREHALOSE-atom14 TREHALOSE-atom15" order="1"/> <bond id="TREHALOSE-bond16" atomRefs="TREHALOSE-atom15 TREHALOSE-atom16" order="1"/> <bond id="TREHALOSE-bond17" atomRefs="TREHALOSE-atom16 TREHALOSE-atom17" order="1"/> <bond id="TREHALOSE-bond18" atomRefs="TREHALOSE-atom17 TREHALOSE-atom18" order="1"/> <bond id="TREHALOSE-bond19" atomRefs="TREHALOSE-atom13 TREHALOSE-atom19" order="1"/> <bond id="TREHALOSE-bond20" atomRefs="TREHALOSE-atom15 TREHALOSE-atom20" order="1"/> <bond id="TREHALOSE-bond21" atomRefs="TREHALOSE-atom14 TREHALOSE-atom21" order="1"/> <bond id="TREHALOSE-bond22" atomRefs="TREHALOSE-atom16 TREHALOSE-atom22" order="1"/> <bond id="TREHALOSE-bond23" atomRefs="TREHALOSE-atom17 TREHALOSE-atom10" order="1"/> <bond id="TREHALOSE-bond24" atomRefs="TREHALOSE-atom19 TREHALOSE-atom23" order="1"/> <formula concise="C 12 H 22 O 11" formalCharge="0"/> 342.299 C1(OC(CO)C(O)C(O)C(O)1)OC2(C(O)C(O)C(O)C(O2)CO) alpha-D-glucopyranosyl-alpha-D-glucopyranoside
<atom id="CHOLINE-atom1" elementType="C" x2="0.8160535" y2="0.06688964"/> <atom id="CHOLINE-atom2" elementType="C" x2="0.99665546" y2="-0.6956522"/> <atom id="CHOLINE-atom3" elementType="O" x2="-1.0" y2="-0.70234114"/> <atom id="CHOLINE-atom4" elementType="C" x2="-0.4882943" y2="-0.4147157"/> <atom id="CHOLINE-atom5" elementType="C" x2="-0.0066889524" y2="-0.6923077"/> <atom id="CHOLINE-atom6" elementType="N" x2="0.4816053" y2="-0.4147157" formalCharge="1"/> <atom id="CHOLINE-atom7" elementType="C" x2="0.4816053" y2="-1.0"/> <bond id="CHOLINE-bond1" atomRefs="CHOLINE-atom7 CHOLINE-atom6" order="1"/> <bond id="CHOLINE-bond2" atomRefs="CHOLINE-atom5 CHOLINE-atom6" order="1"/> <bond id="CHOLINE-bond3" atomRefs="CHOLINE-atom4 CHOLINE-atom5" order="1"/> <bond id="CHOLINE-bond4" atomRefs="CHOLINE-atom3 CHOLINE-atom4" order="1"/> <bond id="CHOLINE-bond5" atomRefs="CHOLINE-atom2 CHOLINE-atom6" order="1"/> <bond id="CHOLINE-bond6" atomRefs="CHOLINE-atom1 CHOLINE-atom6" order="1"/> <formula concise="C 5 H 14 N 1 O 1" formalCharge="0"/> 104.172 C(O)C[N+](C)(C)C
4-alpha-D-{(1->4)-alpha-D-glucano}-trehalose trehalohydrolase
Malto-oligosyltrehalose trehalohydrolase
Maltose is two glucose molecules linked by an α-1,4-glycosidic linkage. Maltose comes from the hydrolysis of starch and is in turn hydrolyzed to glucose by the enzyme maltase.
<atom id="MALTOSE-atom1" elementType="C" x2="-4.3082" y2="0.8375"/> <atom id="MALTOSE-atom2" elementType="C" x2="-4.3082" y2="1.6625"/> <atom id="MALTOSE-atom3" elementType="C" x2="-3.5938" y2="2.075"/> <atom id="MALTOSE-atom4" elementType="C" x2="-2.8793" y2="1.6625"/> <atom id="MALTOSE-atom5" elementType="C" x2="-2.8793" y2="0.8375"/> <atom id="MALTOSE-atom6" elementType="C" x2="-5.0227" y2="0.425"/> <atom id="MALTOSE-atom7" elementType="C" x2="-1.4503" y2="0.0125"/> <atom id="MALTOSE-atom8" elementType="C" x2="-1.4503" y2="-0.8125"/> <atom id="MALTOSE-atom9" elementType="C" x2="-0.7359" y2="0.425"/> <atom id="MALTOSE-atom10" elementType="C" x2="-0.0214" y2="0.0125"/> <atom id="MALTOSE-atom11" elementType="C" x2="-0.0214" y2="-0.8125"/> <atom id="MALTOSE-atom12" elementType="O" x2="-2.1648" y2="0.425"/> <atom id="MALTOSE-atom13" elementType="C" x2="-2.1648" y2="-1.225"/> <atom id="MALTOSE-atom14" elementType="O" x2="-3.5938" y2="0.425"/> <atom id="MALTOSE-atom15" elementType="O" x2="-0.7359" y2="-1.225"/> <atom id="MALTOSE-atom16" elementType="O" x2="-2.8793" y2="-0.8125"/> <atom id="MALTOSE-atom17" elementType="O" x2="-5.7372" y2="0.8375"/> <atom id="MALTOSE-atom18" elementType="O" x2="-5.0227" y2="2.075"/> <atom id="MALTOSE-atom19" elementType="O" x2="-3.5938" y2="2.9"/> <atom id="MALTOSE-atom20" elementType="O" x2="-2.1648" y2="2.075"/> <atom id="MALTOSE-atom21" elementType="O" x2="-0.7359" y2="1.25"/> <atom id="MALTOSE-atom22" elementType="O" x2="0.6931" y2="0.425"/> <atom id="MALTOSE-atom23" elementType="O" x2="0.6931" y2="-1.225"/> <bond id="MALTOSE-bond1" atomRefs="MALTOSE-atom11 MALTOSE-atom23" order="1"/> <bond id="MALTOSE-bond2" atomRefs="MALTOSE-atom10 MALTOSE-atom22" order="1"/> <bond id="MALTOSE-bond3" atomRefs="MALTOSE-atom9 MALTOSE-atom21" order="1"/> <bond id="MALTOSE-bond4" atomRefs="MALTOSE-atom13 MALTOSE-atom16" order="1"/> <bond id="MALTOSE-bond5" atomRefs="MALTOSE-atom8 MALTOSE-atom13" order="1"/> <bond id="MALTOSE-bond6" atomRefs="MALTOSE-atom10 MALTOSE-atom11" order="1"/> <bond id="MALTOSE-bond7" atomRefs="MALTOSE-atom9 MALTOSE-atom10" order="1"/> <bond id="MALTOSE-bond8" atomRefs="MALTOSE-atom15 MALTOSE-atom11" order="1"/> <bond id="MALTOSE-bond9" atomRefs="MALTOSE-atom15 MALTOSE-atom8" order="1"/> <bond id="MALTOSE-bond10" atomRefs="MALTOSE-atom7 MALTOSE-atom9" order="1"/> <bond id="MALTOSE-bond11" atomRefs="MALTOSE-atom8 MALTOSE-atom7" order="1"/> <bond id="MALTOSE-bond12" atomRefs="MALTOSE-atom7 MALTOSE-atom12" order="1"/> <bond id="MALTOSE-bond13" atomRefs="MALTOSE-atom5 MALTOSE-atom12" order="1"/> <bond id="MALTOSE-bond14" atomRefs="MALTOSE-atom4 MALTOSE-atom20" order="1"/> <bond id="MALTOSE-bond15" atomRefs="MALTOSE-atom3 MALTOSE-atom19" order="1"/> <bond id="MALTOSE-bond16" atomRefs="MALTOSE-atom2 MALTOSE-atom18" order="1"/> <bond id="MALTOSE-bond17" atomRefs="MALTOSE-atom6 MALTOSE-atom17" order="1"/> <bond id="MALTOSE-bond18" atomRefs="MALTOSE-atom1 MALTOSE-atom6" order="1"/> <bond id="MALTOSE-bond19" atomRefs="MALTOSE-atom4 MALTOSE-atom5" order="1"/> <bond id="MALTOSE-bond20" atomRefs="MALTOSE-atom3 MALTOSE-atom4" order="1"/> <bond id="MALTOSE-bond21" atomRefs="MALTOSE-atom2 MALTOSE-atom3" order="1"/> <bond id="MALTOSE-bond22" atomRefs="MALTOSE-atom1 MALTOSE-atom2" order="1"/> <bond id="MALTOSE-bond23" atomRefs="MALTOSE-atom14 MALTOSE-atom5" order="1"/> <bond id="MALTOSE-bond24" atomRefs="MALTOSE-atom14 MALTOSE-atom1" order="1"/> <formula concise="C 12 H 22 O 11" formalCharge="0"/> 342.299 C1(OC(CO)C(O)C(O)C(O)1)OC2(C(CO)OC(O)C(O)C(O)2)
WH Freeman and Co., 3rd edition, New York, 1988
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<atom id="MELIBIOSE-atom1" elementType="O" x2="0.0" y2="-5.5529"/> <atom id="MELIBIOSE-atom2" elementType="O" x2="10.9376" y2="-4.9453"/> <atom id="MELIBIOSE-atom3" elementType="O" x2="10.9376" y2="-2.1453"/> <atom id="MELIBIOSE-atom4" elementType="O" x2="8.5127" y2="-0.7453"/> <atom id="MELIBIOSE-atom5" elementType="O" x2="2.5307" y2="0.0"/> <atom id="MELIBIOSE-atom6" elementType="O" x2="0.0797" y2="-1.3537"/> <atom id="MELIBIOSE-atom7" elementType="O" x2="6.0878" y2="-2.1453"/> <atom id="MELIBIOSE-atom8" elementType="O" x2="4.9285" y2="-1.4458"/> <atom id="MELIBIOSE-atom9" elementType="C" x2="0.0265" y2="-4.1532"/> <atom id="MELIBIOSE-atom10" elementType="C" x2="6.0878" y2="-4.9453"/> <atom id="MELIBIOSE-atom11" elementType="O" x2="4.8754" y2="-4.2453"/> <atom id="MELIBIOSE-atom12" elementType="O" x2="8.5127" y2="-4.9453"/> <atom id="MELIBIOSE-atom13" elementType="O" x2="2.4509" y2="-4.1992"/> <atom id="MELIBIOSE-atom14" elementType="C" x2="9.7252" y2="-4.2453"/> <atom id="MELIBIOSE-atom15" elementType="C" x2="9.7252" y2="-2.8453"/> <atom id="MELIBIOSE-atom16" elementType="C" x2="8.5127" y2="-2.1453"/> <atom id="MELIBIOSE-atom17" elementType="C" x2="2.5041" y2="-1.3997"/> <atom id="MELIBIOSE-atom18" elementType="C" x2="1.2786" y2="-2.0766"/> <atom id="MELIBIOSE-atom19" elementType="C" x2="7.3002" y2="-2.8453"/> <atom id="MELIBIOSE-atom20" elementType="C" x2="3.703" y2="-2.1226"/> <atom id="MELIBIOSE-atom21" elementType="C" x2="1.252" y2="-3.4763"/> <atom id="MELIBIOSE-atom22" elementType="C" x2="7.3002" y2="-4.2453"/> <atom id="MELIBIOSE-atom23" elementType="C" x2="3.6764" y2="-3.5224"/> <bond id="MELIBIOSE-bond1" atomRefs="MELIBIOSE-atom20 MELIBIOSE-atom23" order="1"/> <bond id="MELIBIOSE-bond2" atomRefs="MELIBIOSE-atom19 MELIBIOSE-atom22" order="1"/> <bond id="MELIBIOSE-bond3" atomRefs="MELIBIOSE-atom18 MELIBIOSE-atom21" order="1"/> <bond id="MELIBIOSE-bond4" atomRefs="MELIBIOSE-atom17 MELIBIOSE-atom20" order="1"/> <bond id="MELIBIOSE-bond5" atomRefs="MELIBIOSE-atom17 MELIBIOSE-atom18" order="1"/> <bond id="MELIBIOSE-bond6" atomRefs="MELIBIOSE-atom16 MELIBIOSE-atom19" order="1"/> <bond id="MELIBIOSE-bond7" atomRefs="MELIBIOSE-atom15 MELIBIOSE-atom16" order="1"/> <bond id="MELIBIOSE-bond8" atomRefs="MELIBIOSE-atom14 MELIBIOSE-atom15" order="1"/> <bond id="MELIBIOSE-bond9" atomRefs="MELIBIOSE-atom13 MELIBIOSE-atom23" order="1"/> <bond id="MELIBIOSE-bond10" atomRefs="MELIBIOSE-atom13 MELIBIOSE-atom21" order="1"/> <bond id="MELIBIOSE-bond11" atomRefs="MELIBIOSE-atom12 MELIBIOSE-atom22" order="1"/> <bond id="MELIBIOSE-bond12" atomRefs="MELIBIOSE-atom12 MELIBIOSE-atom14" order="1"/> <bond id="MELIBIOSE-bond13" atomRefs="MELIBIOSE-atom23 MELIBIOSE-atom11" order="1"/> <bond id="MELIBIOSE-bond14" atomRefs="MELIBIOSE-atom22 MELIBIOSE-atom10" order="1"/> <bond id="MELIBIOSE-bond15" atomRefs="MELIBIOSE-atom10 MELIBIOSE-atom11" order="1"/> <bond id="MELIBIOSE-bond16" atomRefs="MELIBIOSE-atom21 MELIBIOSE-atom9" order="1"/> <bond id="MELIBIOSE-bond17" atomRefs="MELIBIOSE-atom20 MELIBIOSE-atom8" order="1"/> <bond id="MELIBIOSE-bond18" atomRefs="MELIBIOSE-atom19 MELIBIOSE-atom7" order="1"/> <bond id="MELIBIOSE-bond19" atomRefs="MELIBIOSE-atom18 MELIBIOSE-atom6" order="1"/> <bond id="MELIBIOSE-bond20" atomRefs="MELIBIOSE-atom17 MELIBIOSE-atom5" order="1"/> <bond id="MELIBIOSE-bond21" atomRefs="MELIBIOSE-atom16 MELIBIOSE-atom4" order="1"/> <bond id="MELIBIOSE-bond22" atomRefs="MELIBIOSE-atom15 MELIBIOSE-atom3" order="1"/> <bond id="MELIBIOSE-bond23" atomRefs="MELIBIOSE-atom2 MELIBIOSE-atom14" order="1"/> <bond id="MELIBIOSE-bond24" atomRefs="MELIBIOSE-atom1 MELIBIOSE-atom9" order="1"/> <formula concise="C 12 H 22 O 11" formalCharge="0"/> 342.299 C(O)C1(OC(C(O)C(O)C1O)OCC2(C(O)C(O)C(O)C(O2)O))
<atom id="GLC-atom1" elementType="O" x2="0.0" y2="-4.2"/> <atom id="GLC-atom2" elementType="O" x2="6.2497" y2="-4.2"/> <atom id="GLC-atom3" elementType="O" x2="6.2497" y2="-1.4"/> <atom id="GLC-atom4" elementType="O" x2="3.8249" y2="0.0"/> <atom id="GLC-atom5" elementType="O" x2="1.4" y2="-1.4"/> <atom id="GLC-atom6" elementType="C" x2="1.4" y2="-4.2"/> <atom id="GLC-atom7" elementType="O" x2="3.8249" y2="-4.2"/> <atom id="GLC-atom8" elementType="C" x2="5.0373" y2="-3.5"/> <atom id="GLC-atom9" elementType="C" x2="5.0373" y2="-2.1"/> <atom id="GLC-atom10" elementType="C" x2="3.8249" y2="-1.4"/> <atom id="GLC-atom11" elementType="C" x2="2.6124" y2="-2.1"/> <atom id="GLC-atom12" elementType="C" x2="2.6124" y2="-3.5"/> <bond id="GLC-bond1" atomRefs="GLC-atom11 GLC-atom12" order="1"/> <bond id="GLC-bond2" atomRefs="GLC-atom10 GLC-atom11" order="1"/> <bond id="GLC-bond3" atomRefs="GLC-atom9 GLC-atom10" order="1"/> <bond id="GLC-bond4" atomRefs="GLC-atom8 GLC-atom9" order="1"/> <bond id="GLC-bond5" atomRefs="GLC-atom7 GLC-atom12" order="1"/> <bond id="GLC-bond6" atomRefs="GLC-atom7 GLC-atom8" order="1"/> <bond id="GLC-bond7" atomRefs="GLC-atom12 GLC-atom6" order="1"/> <bond id="GLC-bond8" atomRefs="GLC-atom11 GLC-atom5" order="1"/> <bond id="GLC-bond9" atomRefs="GLC-atom10 GLC-atom4" order="1"/> <bond id="GLC-bond10" atomRefs="GLC-atom9 GLC-atom3" order="1"/> <bond id="GLC-bond11" atomRefs="GLC-atom8 GLC-atom2" order="1"/> <bond id="GLC-bond12" atomRefs="GLC-atom1 GLC-atom6" order="1"/> <formula concise="C 6 H 12 O 6" formalCharge="0"/> 180.157 C(O)C1(C(O)C(O)C(O)C(O1)O)
<atom id="GALACTOSE-atom1" elementType="O" x2="0.0" y2="-5.6"/> <atom id="GALACTOSE-atom2" elementType="O" x2="4.8497" y2="-4.2"/> <atom id="GALACTOSE-atom3" elementType="O" x2="4.8497" y2="-1.4"/> <atom id="GALACTOSE-atom4" elementType="O" x2="2.4249" y2="0.0"/> <atom id="GALACTOSE-atom5" elementType="O" x2="0.0" y2="-1.4"/> <atom id="GALACTOSE-atom6" elementType="C" x2="0.0" y2="-4.2"/> <atom id="GALACTOSE-atom7" elementType="O" x2="2.4249" y2="-4.2"/> <atom id="GALACTOSE-atom8" elementType="C" x2="3.6373" y2="-3.5"/> <atom id="GALACTOSE-atom9" elementType="C" x2="3.6373" y2="-2.1"/> <atom id="GALACTOSE-atom10" elementType="C" x2="2.4249" y2="-1.4"/> <atom id="GALACTOSE-atom11" elementType="C" x2="1.2124" y2="-2.1"/> <atom id="GALACTOSE-atom12" elementType="C" x2="1.2124" y2="-3.5"/> <bond id="GALACTOSE-bond1" atomRefs="GALACTOSE-atom11 GALACTOSE-atom12" order="1"/> <bond id="GALACTOSE-bond2" atomRefs="GALACTOSE-atom10 GALACTOSE-atom11" order="1"/> <bond id="GALACTOSE-bond3" atomRefs="GALACTOSE-atom9 GALACTOSE-atom10" order="1"/> <bond id="GALACTOSE-bond4" atomRefs="GALACTOSE-atom8 GALACTOSE-atom9" order="1"/> <bond id="GALACTOSE-bond5" atomRefs="GALACTOSE-atom7 GALACTOSE-atom12" order="1"/> <bond id="GALACTOSE-bond6" atomRefs="GALACTOSE-atom7 GALACTOSE-atom8" order="1"/> <bond id="GALACTOSE-bond7" atomRefs="GALACTOSE-atom12 GALACTOSE-atom6" order="1"/> <bond id="GALACTOSE-bond8" atomRefs="GALACTOSE-atom11 GALACTOSE-atom5" order="1"/> <bond id="GALACTOSE-bond9" atomRefs="GALACTOSE-atom10 GALACTOSE-atom4" order="1"/> <bond id="GALACTOSE-bond10" atomRefs="GALACTOSE-atom9 GALACTOSE-atom3" order="1"/> <bond id="GALACTOSE-bond11" atomRefs="GALACTOSE-atom8 GALACTOSE-atom2" order="1"/> <bond id="GALACTOSE-bond12" atomRefs="GALACTOSE-atom1 GALACTOSE-atom6" order="1"/> <formula concise="C 6 H 12 O 6" formalCharge="0"/> 180.157 C(O)C1(C(O)C(O)C(O)C(O1)O)
<atom id="LACTOSE-atom1" elementType="C" x2="-4.7457" y2="-0.5688"/> <atom id="LACTOSE-atom2" elementType="C" x2="-4.7457" y2="0.2563"/> <atom id="LACTOSE-atom3" elementType="C" x2="-4.0313" y2="0.6688"/> <atom id="LACTOSE-atom4" elementType="C" x2="-3.3168" y2="0.2563"/> <atom id="LACTOSE-atom5" elementType="C" x2="-3.3168" y2="-0.5688"/> <atom id="LACTOSE-atom6" elementType="C" x2="-5.4602" y2="-0.9813"/> <atom id="LACTOSE-atom7" elementType="C" x2="-1.9157" y2="-2.2345"/> <atom id="LACTOSE-atom8" elementType="C" x2="-1.8973" y2="-1.4097"/> <atom id="LACTOSE-atom9" elementType="C" x2="-1.1737" y2="-1.0133"/> <atom id="LACTOSE-atom10" elementType="C" x2="-0.4687" y2="-1.4417"/> <atom id="LACTOSE-atom11" elementType="C" x2="-0.4872" y2="-2.2665"/> <atom id="LACTOSE-atom12" elementType="O" x2="-6.1747" y2="-0.5687"/> <atom id="LACTOSE-atom13" elementType="O" x2="-5.4602" y2="0.6688"/> <atom id="LACTOSE-atom14" elementType="O" x2="-4.0313" y2="1.4938"/> <atom id="LACTOSE-atom15" elementType="O" x2="-4.0313" y2="-0.9813"/> <atom id="LACTOSE-atom16" elementType="O" x2="-2.6023" y2="0.6688"/> <atom id="LACTOSE-atom17" elementType="O" x2="-2.6023" y2="-0.9813"/> <atom id="LACTOSE-atom18" elementType="O" x2="-1.2107" y2="-2.6629"/> <atom id="LACTOSE-atom19" elementType="O" x2="-1.1552" y2="-0.1885"/> <atom id="LACTOSE-atom20" elementType="O" x2="0.2549" y2="-1.0453"/> <atom id="LACTOSE-atom21" elementType="O" x2="0.2179" y2="-2.6949"/> <atom id="LACTOSE-atom22" elementType="C" x2="-2.6393" y2="-2.6309"/> <atom id="LACTOSE-atom23" elementType="O" x2="-2.564" y2="-3.5181"/> <bond id="LACTOSE-bond1" atomRefs="LACTOSE-atom22 LACTOSE-atom23" order="1"/> <bond id="LACTOSE-bond2" atomRefs="LACTOSE-atom8 LACTOSE-atom17" order="1"/> <bond id="LACTOSE-bond3" atomRefs="LACTOSE-atom9 LACTOSE-atom19" order="1"/> <bond id="LACTOSE-bond4" atomRefs="LACTOSE-atom10 LACTOSE-atom20" order="1"/> <bond id="LACTOSE-bond5" atomRefs="LACTOSE-atom11 LACTOSE-atom21" order="1"/> <bond id="LACTOSE-bond6" atomRefs="LACTOSE-atom10 LACTOSE-atom11" order="1"/> <bond id="LACTOSE-bond7" atomRefs="LACTOSE-atom9 LACTOSE-atom10" order="1"/> <bond id="LACTOSE-bond8" atomRefs="LACTOSE-atom8 LACTOSE-atom9" order="1"/> <bond id="LACTOSE-bond9" atomRefs="LACTOSE-atom18 LACTOSE-atom11" order="1"/> <bond id="LACTOSE-bond10" atomRefs="LACTOSE-atom7 LACTOSE-atom8" order="1"/> <bond id="LACTOSE-bond11" atomRefs="LACTOSE-atom18 LACTOSE-atom7" order="1"/> <bond id="LACTOSE-bond12" atomRefs="LACTOSE-atom7 LACTOSE-atom22" order="1"/> <bond id="LACTOSE-bond13" atomRefs="LACTOSE-atom5 LACTOSE-atom17" order="1"/> <bond id="LACTOSE-bond14" atomRefs="LACTOSE-atom4 LACTOSE-atom16" order="1"/> <bond id="LACTOSE-bond15" atomRefs="LACTOSE-atom3 LACTOSE-atom14" order="1"/> <bond id="LACTOSE-bond16" atomRefs="LACTOSE-atom2 LACTOSE-atom13" order="1"/> <bond id="LACTOSE-bond17" atomRefs="LACTOSE-atom6 LACTOSE-atom12" order="1"/> <bond id="LACTOSE-bond18" atomRefs="LACTOSE-atom1 LACTOSE-atom6" order="1"/> <bond id="LACTOSE-bond19" atomRefs="LACTOSE-atom4 LACTOSE-atom5" order="1"/> <bond id="LACTOSE-bond20" atomRefs="LACTOSE-atom3 LACTOSE-atom4" order="1"/> <bond id="LACTOSE-bond21" atomRefs="LACTOSE-atom2 LACTOSE-atom3" order="1"/> <bond id="LACTOSE-bond22" atomRefs="LACTOSE-atom1 LACTOSE-atom2" order="1"/> <bond id="LACTOSE-bond23" atomRefs="LACTOSE-atom15 LACTOSE-atom5" order="1"/> <bond id="LACTOSE-bond24" atomRefs="LACTOSE-atom15 LACTOSE-atom1" order="1"/> <formula concise="C 12 H 22 O 11" formalCharge="0"/> 342.299 C1(OC(CO)C(O)C(O)C(O)1)OC2(C(CO)OC(O)C(O)C(O)2) 4-O-beta-D-Galactopyranosyl-D-glucose
<atom id="3-KETOLACTOSE-atom1" elementType="O" x2="3.4818" y2="0.0"/> <atom id="3-KETOLACTOSE-atom2" elementType="O" x2="0.0" y2="-3.3041"/> <atom id="3-KETOLACTOSE-atom3" elementType="O" x2="4.8513" y2="-6.103"/> <atom id="3-KETOLACTOSE-atom4" elementType="O" x2="10.7698" y2="-7.0063"/> <atom id="3-KETOLACTOSE-atom5" elementType="O" x2="1.0723" y2="-1.4069"/> <atom id="3-KETOLACTOSE-atom6" elementType="O" x2="5.9184" y2="-1.4071"/> <atom id="3-KETOLACTOSE-atom7" elementType="O" x2="10.7698" y2="-4.2059"/> <atom id="3-KETOLACTOSE-atom8" elementType="O" x2="8.3352" y2="-2.8095"/> <atom id="3-KETOLACTOSE-atom9" elementType="C" x2="1.0723" y2="-4.2072"/> <atom id="3-KETOLACTOSE-atom10" elementType="C" x2="5.9237" y2="-7.0061"/> <atom id="3-KETOLACTOSE-atom11" elementType="O" x2="8.335" y2="-7.0063"/> <atom id="3-KETOLACTOSE-atom12" elementType="O" x2="3.4836" y2="-4.2074"/> <atom id="3-KETOLACTOSE-atom13" elementType="O" x2="5.9184" y2="-4.2074"/> <atom id="3-KETOLACTOSE-atom14" elementType="C" x2="3.4836" y2="-1.4069"/> <atom id="3-KETOLACTOSE-atom15" elementType="C" x2="9.5562" y2="-6.3082"/> <atom id="3-KETOLACTOSE-atom16" elementType="C" x2="2.2702" y2="-2.1051"/> <atom id="3-KETOLACTOSE-atom17" elementType="C" x2="4.7049" y2="-2.1053"/> <atom id="3-KETOLACTOSE-atom18" elementType="C" x2="2.2702" y2="-3.5092"/> <atom id="3-KETOLACTOSE-atom19" elementType="C" x2="7.1216" y2="-6.308"/> <atom id="3-KETOLACTOSE-atom20" elementType="C" x2="9.5562" y2="-4.9041"/> <atom id="3-KETOLACTOSE-atom21" elementType="C" x2="8.335" y2="-4.2057"/> <atom id="3-KETOLACTOSE-atom22" elementType="C" x2="4.7049" y2="-3.5094"/> <atom id="3-KETOLACTOSE-atom23" elementType="C" x2="7.1216" y2="-4.904"/> <bond id="3-KETOLACTOSE-bond1" atomRefs="3-KETOLACTOSE-atom21 3-KETOLACTOSE-atom23" order="1"/> <bond id="3-KETOLACTOSE-bond2" atomRefs="3-KETOLACTOSE-atom20 3-KETOLACTOSE-atom21" order="1"/> <bond id="3-KETOLACTOSE-bond3" atomRefs="3-KETOLACTOSE-atom19 3-KETOLACTOSE-atom23" order="1"/> <bond id="3-KETOLACTOSE-bond4" atomRefs="3-KETOLACTOSE-atom17 3-KETOLACTOSE-atom22" order="1"/> <bond id="3-KETOLACTOSE-bond5" atomRefs="3-KETOLACTOSE-atom16 3-KETOLACTOSE-atom18" order="1"/> <bond id="3-KETOLACTOSE-bond6" atomRefs="3-KETOLACTOSE-atom15 3-KETOLACTOSE-atom20" order="1"/> <bond id="3-KETOLACTOSE-bond7" atomRefs="3-KETOLACTOSE-atom14 3-KETOLACTOSE-atom17" order="1"/> <bond id="3-KETOLACTOSE-bond8" atomRefs="3-KETOLACTOSE-atom14 3-KETOLACTOSE-atom16" order="1"/> <bond id="3-KETOLACTOSE-bond9" atomRefs="3-KETOLACTOSE-atom23 3-KETOLACTOSE-atom13" order="1"/> <bond id="3-KETOLACTOSE-bond10" atomRefs="3-KETOLACTOSE-atom22 3-KETOLACTOSE-atom13" order="1"/> <bond id="3-KETOLACTOSE-bond11" atomRefs="3-KETOLACTOSE-atom12 3-KETOLACTOSE-atom22" order="1"/> <bond id="3-KETOLACTOSE-bond12" atomRefs="3-KETOLACTOSE-atom12 3-KETOLACTOSE-atom18" order="1"/> <bond id="3-KETOLACTOSE-bond13" atomRefs="3-KETOLACTOSE-atom11 3-KETOLACTOSE-atom19" order="1"/> <bond id="3-KETOLACTOSE-bond14" atomRefs="3-KETOLACTOSE-atom11 3-KETOLACTOSE-atom15" order="1"/> <bond id="3-KETOLACTOSE-bond15" atomRefs="3-KETOLACTOSE-atom19 3-KETOLACTOSE-atom10" order="1"/> <bond id="3-KETOLACTOSE-bond16" atomRefs="3-KETOLACTOSE-atom18 3-KETOLACTOSE-atom9" order="1"/> <bond id="3-KETOLACTOSE-bond17" atomRefs="3-KETOLACTOSE-atom21 3-KETOLACTOSE-atom8" order="1"/> <bond id="3-KETOLACTOSE-bond18" atomRefs="3-KETOLACTOSE-atom20 3-KETOLACTOSE-atom7" order="1"/> <bond id="3-KETOLACTOSE-bond19" atomRefs="3-KETOLACTOSE-atom17 3-KETOLACTOSE-atom6" order="1"/> <bond id="3-KETOLACTOSE-bond20" atomRefs="3-KETOLACTOSE-atom16 3-KETOLACTOSE-atom5" order="1"/> <bond id="3-KETOLACTOSE-bond21" atomRefs="3-KETOLACTOSE-atom15 3-KETOLACTOSE-atom4" order="1"/> <bond id="3-KETOLACTOSE-bond22" atomRefs="3-KETOLACTOSE-atom3 3-KETOLACTOSE-atom10" order="1"/> <bond id="3-KETOLACTOSE-bond23" atomRefs="3-KETOLACTOSE-atom2 3-KETOLACTOSE-atom9" order="1"/> <bond id="3-KETOLACTOSE-bond24" atomRefs="3-KETOLACTOSE-atom1 3-KETOLACTOSE-atom14" order="2"/> <formula concise="C 12 H 20 O 11" formalCharge="0"/> 340.283 C(O)C1(OC(C(O)C(=O)C1O)OC2(C(CO)OC(O)C(O)C2O))
<atom id="ADENOSINE-atom1" elementType="C" x2="-2.6128" y2="0.6749"/> <atom id="ADENOSINE-atom2" elementType="C" x2="-1.7879" y2="0.6606"/> <atom id="ADENOSINE-atom3" elementType="C" x2="-1.5467" y2="-0.1282"/> <atom id="ADENOSINE-atom4" elementType="O" x2="-3.0345" y2="-1.4697"/> <atom id="ADENOSINE-atom5" elementType="O" x2="-3.0862" y2="1.3506"/> <atom id="ADENOSINE-atom6" elementType="O" x2="-1.2916" y2="1.3197"/> <atom id="ADENOSINE-atom7" elementType="C" x2="-0.2873" y2="-2.8235"/> <atom id="ADENOSINE-atom8" elementType="C" x2="-1.7125" y2="-2.9268"/> <atom id="ADENOSINE-atom9" elementType="C" x2="-1.0894" y2="-1.641"/> <atom id="ADENOSINE-atom10" elementType="C" x2="-0.3469" y2="-2.0006"/> <atom id="ADENOSINE-atom11" elementType="C" x2="-0.1648" y2="-0.6782"/> <atom id="ADENOSINE-atom12" elementType="N" x2="-0.9767" y2="-0.8237"/> <atom id="ADENOSINE-atom13" elementType="N" x2="0.2245" y2="-1.4056"/> <atom id="ADENOSINE-atom14" elementType="N" x2="-1.7721" y2="-2.104"/> <atom id="ADENOSINE-atom15" elementType="N" x2="-0.9701" y2="-3.2866"/> <atom id="ADENOSINE-atom16" elementType="N" x2="0.4552" y2="-3.1832"/> <atom id="ADENOSINE-atom17" elementType="O" x2="-2.2224" y2="-0.6015"/> <atom id="ADENOSINE-atom18" elementType="C" x2="-2.8813" y2="-0.1052"/> <atom id="ADENOSINE-atom19" elementType="C" x2="-3.3308" y2="-0.797"/> <bond id="ADENOSINE-bond1" atomRefs="ADENOSINE-atom17 ADENOSINE-atom18" order="1"/> <bond id="ADENOSINE-bond2" atomRefs="ADENOSINE-atom17 ADENOSINE-atom3" order="1"/> <bond id="ADENOSINE-bond3" atomRefs="ADENOSINE-atom18 ADENOSINE-atom1" order="1"/> <bond id="ADENOSINE-bond4" atomRefs="ADENOSINE-atom1 ADENOSINE-atom2" order="1"/> <bond id="ADENOSINE-bond5" atomRefs="ADENOSINE-atom2 ADENOSINE-atom3" order="1"/> <bond id="ADENOSINE-bond6" atomRefs="ADENOSINE-atom1 ADENOSINE-atom5" order="1"/> <bond id="ADENOSINE-bond7" atomRefs="ADENOSINE-atom2 ADENOSINE-atom6" order="1"/> <bond id="ADENOSINE-bond8" atomRefs="ADENOSINE-atom3 ADENOSINE-atom12" order="1"/> <bond id="ADENOSINE-bond9" atomRefs="ADENOSINE-atom7 ADENOSINE-atom10" order="A"/> <bond id="ADENOSINE-bond10" atomRefs="ADENOSINE-atom15 ADENOSINE-atom7" order="A"/> <bond id="ADENOSINE-bond11" atomRefs="ADENOSINE-atom8 ADENOSINE-atom15" order="A"/> <bond id="ADENOSINE-bond12" atomRefs="ADENOSINE-atom14 ADENOSINE-atom8" order="A"/> <bond id="ADENOSINE-bond13" atomRefs="ADENOSINE-atom9 ADENOSINE-atom14" order="A"/> <bond id="ADENOSINE-bond14" atomRefs="ADENOSINE-atom9 ADENOSINE-atom12" order="A"/> <bond id="ADENOSINE-bond15" atomRefs="ADENOSINE-atom10 ADENOSINE-atom9" order="A"/> <bond id="ADENOSINE-bond16" atomRefs="ADENOSINE-atom13 ADENOSINE-atom10" order="A"/> <bond id="ADENOSINE-bond17" atomRefs="ADENOSINE-atom11 ADENOSINE-atom13" order="A"/> <bond id="ADENOSINE-bond18" atomRefs="ADENOSINE-atom12 ADENOSINE-atom11" order="A"/> <bond id="ADENOSINE-bond19" atomRefs="ADENOSINE-atom7 ADENOSINE-atom16" order="1"/> <bond id="ADENOSINE-bond20" atomRefs="ADENOSINE-atom18 ADENOSINE-atom19" order="1"/> <bond id="ADENOSINE-bond21" atomRefs="ADENOSINE-atom19 ADENOSINE-atom4" order="1"/> <formula concise="C 10 H 13 N 5 O 4" formalCharge="0"/> 267.244 C1(C(O)C(O)C(O1)CO)n2(c3(c(nc2)c(N)ncn3))
<cml> <molecule id="Monocarboxylic-Acid-Amides" title="a monocarboxylic-acid-amide"> <atomArray> <atom id="Monocarboxylic-Acid-Amides-atom1" elementType="N" x2="2.4248" y2="0.0"/> <atom id="Monocarboxylic-Acid-Amides-atom2" elementType="O" x2="1.2124" y2="-2.1"/> <atom id="Monocarboxylic-Acid-Amides-atom3" elementType="R" x2="0.0" y2="0.0"/> <atom id="Monocarboxylic-Acid-Amides-atom4" elementType="C" x2="1.2124" y2="-0.7"/> </atomArray> <bondArray> <bond id="Monocarboxylic-Acid-Amides-bond1" atomRefs="Monocarboxylic-Acid-Amides-atom3 Monocarboxylic-Acid-Amides-atom4" order="1"/> <bond id="Monocarboxylic-Acid-Amides-bond2" atomRefs="Monocarboxylic-Acid-Amides-atom2 Monocarboxylic-Acid-Amides-atom4" order="2"/> <bond id="Monocarboxylic-Acid-Amides-bond3" atomRefs="Monocarboxylic-Acid-Amides-atom1 Monocarboxylic-Acid-Amides-atom4" order="1"/> </bondArray> <formula concise="C 1 H 2 N 1 O 1 R 1" formalCharge="0"/> </molecule> </cml>
<cml> <molecule id="Monocarboxylates" title="a monocarboxylate"> <atomArray> <atom id="Monocarboxylates-atom1" elementType="O" x2="2.4248" y2="-2.1"/> <atom id="Monocarboxylates-atom2" elementType="O" x2="1.2124" y2="0.0" formalCharge="-1"/> <atom id="Monocarboxylates-atom3" elementType="R" x2="0.0" y2="-2.1"/> <atom id="Monocarboxylates-atom4" elementType="C" x2="1.2124" y2="-1.4"/> </atomArray> <bondArray> <bond id="Monocarboxylates-bond1" atomRefs="Monocarboxylates-atom3 Monocarboxylates-atom4" order="1"/> <bond id="Monocarboxylates-bond2" atomRefs="Monocarboxylates-atom2 Monocarboxylates-atom4" order="1"/> <bond id="Monocarboxylates-bond3" atomRefs="Monocarboxylates-atom1 Monocarboxylates-atom4" order="2"/> </bondArray> <formula concise="C 1 O 2 R 1" formalCharge="0"/> </molecule> </cml>
<atom id="ASN-atom1" elementType="N" x2="0.0" y2="-2.7979"/> <atom id="ASN-atom2" elementType="N" x2="4.8542" y2="-2.7979"/> <atom id="ASN-atom3" elementType="O" x2="1.2095" y2="-0.6853"/> <atom id="ASN-atom4" elementType="O" x2="2.4433" y2="0.0"/> <atom id="ASN-atom5" elementType="O" x2="4.8461" y2="-0.008"/> <atom id="ASN-atom6" elementType="C" x2="2.427" y2="-2.806"/> <atom id="ASN-atom7" elementType="C" x2="1.2095" y2="-2.0883"/> <atom id="ASN-atom8" elementType="C" x2="3.6447" y2="-0.7257"/> <atom id="ASN-atom9" elementType="C" x2="3.6447" y2="-2.0883"/> <bond id="ASN-bond1" atomRefs="ASN-atom8 ASN-atom9" order="1"/> <bond id="ASN-bond2" atomRefs="ASN-atom6 ASN-atom9" order="1"/> <bond id="ASN-bond3" atomRefs="ASN-atom6 ASN-atom7" order="1"/> <bond id="ASN-bond4" atomRefs="ASN-atom5 ASN-atom8" order="1"/> <bond id="ASN-bond5" atomRefs="ASN-atom4 ASN-atom8" order="2"/> <bond id="ASN-bond6" atomRefs="ASN-atom3 ASN-atom7" order="2"/> <bond id="ASN-bond7" atomRefs="ASN-atom9 ASN-atom2" order="1"/> <bond id="ASN-bond8" atomRefs="ASN-atom1 ASN-atom7" order="1"/> <formula concise="C 4 H 8 N 2 O 3" formalCharge="0"/> 132.119 C(N)(=O)CC(N)C(O)=O
L ASPARAGINASE L ASPARAGINE AMIDOHYDROLASE
<atom id="ACRYLAMIDE-atom1" elementType="C" x2="2.866" y2="0.25"/> <atom id="ACRYLAMIDE-atom2" elementType="C" x2="3.7321" y2="0.75"/> <atom id="ACRYLAMIDE-atom3" elementType="N" x2="2.0" y2="0.75"/> <atom id="ACRYLAMIDE-atom4" elementType="O" x2="2.866" y2="-0.75"/> <atom id="ACRYLAMIDE-atom5" elementType="C" x2="4.5981" y2="0.25"/> <bond id="ACRYLAMIDE-bond1" atomRefs="ACRYLAMIDE-atom1 ACRYLAMIDE-atom2" order="1"/> <bond id="ACRYLAMIDE-bond2" atomRefs="ACRYLAMIDE-atom1 ACRYLAMIDE-atom3" order="1"/> <bond id="ACRYLAMIDE-bond3" atomRefs="ACRYLAMIDE-atom1 ACRYLAMIDE-atom4" order="2"/> <bond id="ACRYLAMIDE-bond4" atomRefs="ACRYLAMIDE-atom2 ACRYLAMIDE-atom5" order="2"/> <formula concise="C 3 H 5 N 1 O 1" formalCharge="0"/> 71.079 C(=O)(N)C=C
<atom id="ACRYLATE-atom1" elementType="C" x2="-0.3333333" y2="-0.23106056"/> <atom id="ACRYLATE-atom2" elementType="C" x2="0.33333337" y2="0.15151525"/> <atom id="ACRYLATE-atom3" elementType="O" x2="-1.0" y2="0.15151525"/> <atom id="ACRYLATE-atom4" elementType="O" x2="-0.3333333" y2="-1.0"/> <atom id="ACRYLATE-atom5" elementType="C" x2="0.9962121" y2="-0.23106056"/> <bond id="ACRYLATE-bond1" atomRefs="ACRYLATE-atom2 ACRYLATE-atom5" order="2"/> <bond id="ACRYLATE-bond2" atomRefs="ACRYLATE-atom1 ACRYLATE-atom4" order="2"/> <bond id="ACRYLATE-bond3" atomRefs="ACRYLATE-atom1 ACRYLATE-atom3" order="1"/> <bond id="ACRYLATE-bond4" atomRefs="ACRYLATE-atom1 ACRYLATE-atom2" order="1"/> <formula concise="C 3 H 4 O 2" formalCharge="0"/> 72.063 C(O)(=O)C=C
<atom id="NIACINAMIDE-atom1" elementType="O" x2="0.99671" y2="-0.14333"/> <atom id="NIACINAMIDE-atom2" elementType="N" x2="0.49588" y2="0.71005"/> <atom id="NIACINAMIDE-atom3" elementType="C" x2="-1.0" y2="-0.71334"/> <atom id="NIACINAMIDE-atom4" elementType="C" x2="-0.00165" y2="-0.13344"/> <atom id="NIACINAMIDE-atom5" elementType="C" x2="-0.00165" y2="-0.71993"/> <atom id="NIACINAMIDE-atom6" elementType="C" x2="-1.0" y2="-0.13344"/> <atom id="NIACINAMIDE-atom7" elementType="C" x2="-0.49588" y2="0.13674"/> <atom id="NIACINAMIDE-atom8" elementType="C" x2="0.49588" y2="0.13674"/> <atom id="NIACINAMIDE-atom9" elementType="N" x2="-0.50577" y2="-1.0"/> <bond id="NIACINAMIDE-bond1" atomRefs="NIACINAMIDE-atom9 NIACINAMIDE-atom5" order="A"/> <bond id="NIACINAMIDE-bond2" atomRefs="NIACINAMIDE-atom4 NIACINAMIDE-atom7" order="A"/> <bond id="NIACINAMIDE-bond3" atomRefs="NIACINAMIDE-atom7 NIACINAMIDE-atom6" order="A"/> <bond id="NIACINAMIDE-bond4" atomRefs="NIACINAMIDE-atom5 NIACINAMIDE-atom4" order="A"/> <bond id="NIACINAMIDE-bond5" atomRefs="NIACINAMIDE-atom4 NIACINAMIDE-atom8" order="1"/> <bond id="NIACINAMIDE-bond6" atomRefs="NIACINAMIDE-atom6 NIACINAMIDE-atom3" order="A"/> <bond id="NIACINAMIDE-bond7" atomRefs="NIACINAMIDE-atom3 NIACINAMIDE-atom9" order="A"/> <bond id="NIACINAMIDE-bond8" atomRefs="NIACINAMIDE-atom2 NIACINAMIDE-atom8" order="1"/> <bond id="NIACINAMIDE-bond9" atomRefs="NIACINAMIDE-atom1 NIACINAMIDE-atom8" order="2"/> <formula concise="C 6 H 6 N 2 O 1" formalCharge="0"/> 122.126 c1(ccc(cn1)C(N)=O)
<atom id="NIACINE-atom1" elementType="C" x2="-1.0" y2="-0.7184466"/> <atom id="NIACINE-atom2" elementType="C" x2="-1.0" y2="-0.14563107"/> <atom id="NIACINE-atom3" elementType="C" x2="0.49514568" y2="0.1504854"/> <atom id="NIACINE-atom4" elementType="C" x2="-0.014563084" y2="-0.70873785"/> <atom id="NIACINE-atom5" elementType="N" x2="-0.5048543" y2="-1.0"/> <atom id="NIACINE-atom6" elementType="C" x2="-0.014563084" y2="-0.1407767"/> <atom id="NIACINE-atom7" elementType="C" x2="-0.50970876" y2="0.14563107"/> <atom id="NIACINE-atom8" elementType="O" x2="0.9951457" y2="-0.13106793"/> <atom id="NIACINE-atom9" elementType="O" x2="0.49514568" y2="0.72330093" formalCharge="-1"/> <bond id="NIACINE-bond1" atomRefs="NIACINE-atom9 NIACINE-atom3" order="1"/> <bond id="NIACINE-bond2" atomRefs="NIACINE-atom8 NIACINE-atom3" order="2"/> <bond id="NIACINE-bond3" atomRefs="NIACINE-atom7 NIACINE-atom2" order="A"/> <bond id="NIACINE-bond4" atomRefs="NIACINE-atom6 NIACINE-atom3" order="1"/> <bond id="NIACINE-bond5" atomRefs="NIACINE-atom6 NIACINE-atom7" order="A"/> <bond id="NIACINE-bond6" atomRefs="NIACINE-atom5 NIACINE-atom4" order="A"/> <bond id="NIACINE-bond7" atomRefs="NIACINE-atom4 NIACINE-atom6" order="A"/> <bond id="NIACINE-bond8" atomRefs="NIACINE-atom2 NIACINE-atom1" order="A"/> <bond id="NIACINE-bond9" atomRefs="NIACINE-atom1 NIACINE-atom5" order="A"/> <formula concise="C 6 H 4 N 1 O 2" formalCharge="0"/> 122.103 c1(ccc(C([O-])=O)cn1) 3-pyridinecarboxylic acid
<atom id="ARG-atom1" elementType="H" x2="6.5399" y2="-3.3321"/> <atom id="ARG-atom2" elementType="N" x2="0.0" y2="-2.1009"/> <atom id="ARG-atom3" elementType="N" x2="1.2086" y2="0.0"/> <atom id="ARG-atom4" elementType="N" x2="7.9631" y2="-0.8697"/> <atom id="ARG-atom5" elementType="O" x2="9.6913" y2="-2.1348"/> <atom id="ARG-atom6" elementType="O" x2="8.4827" y2="-4.2018"/> <atom id="ARG-atom7" elementType="C" x2="4.8343" y2="-2.1009"/> <atom id="ARG-atom8" elementType="C" x2="3.6258" y2="-1.4119"/> <atom id="ARG-atom9" elementType="C" x2="6.0429" y2="-1.4119"/> <atom id="ARG-atom10" elementType="N" x2="2.4172" y2="-2.1009"/> <atom id="ARG-atom11" elementType="C" x2="1.2086" y2="-1.4119"/> <atom id="ARG-atom12" elementType="C" x2="8.4827" y2="-2.8238"/> <atom id="ARG-atom13" elementType="C" x2="7.2515" y2="-2.1009"/> <bond id="ARG-bond1" atomRefs="ARG-atom12 ARG-atom13" order="1"/> <bond id="ARG-bond2" atomRefs="ARG-atom10 ARG-atom11" order="1"/> <bond id="ARG-bond3" atomRefs="ARG-atom9 ARG-atom13" order="1"/> <bond id="ARG-bond4" atomRefs="ARG-atom8 ARG-atom10" order="1"/> <bond id="ARG-bond5" atomRefs="ARG-atom7 ARG-atom9" order="1"/> <bond id="ARG-bond6" atomRefs="ARG-atom7 ARG-atom8" order="1"/> <bond id="ARG-bond7" atomRefs="ARG-atom6 ARG-atom12" order="1"/> <bond id="ARG-bond8" atomRefs="ARG-atom5 ARG-atom12" order="2"/> <bond id="ARG-bond9" atomRefs="ARG-atom4 ARG-atom13" order="1"/> <bond id="ARG-bond10" atomRefs="ARG-atom3 ARG-atom11" order="1"/> <bond id="ARG-bond11" atomRefs="ARG-atom2 ARG-atom11" order="2"/> <bond id="ARG-bond12" atomRefs="ARG-atom1 ARG-atom13" order="1"/> <formula concise="C 6 H 14 N 4 O 2" formalCharge="0"/> 174.202 C(NC(N)=N)CC[CH](N)C(O)=O
<atom id="UREA-atom1" elementType="C" x2="-0.47935" y2="-0.02693"/> <atom id="UREA-atom2" elementType="O" x2="0.62657" y2="-0.02693"/> <atom id="UREA-atom3" elementType="N" x2="-0.89946" y2="0.99641"/> <atom id="UREA-atom4" elementType="N" x2="-1.0" y2="-1.0"/> <bond id="UREA-bond1" atomRefs="UREA-atom4 UREA-atom1" order="1"/> <bond id="UREA-bond2" atomRefs="UREA-atom3 UREA-atom1" order="1"/> <bond id="UREA-bond3" atomRefs="UREA-atom2 UREA-atom1" order="2"/> <formula concise="C 1 H 4 N 2 O 1" formalCharge="0"/> 60.055 C(N)(N)=O
<atom id="L-ORNITHINE-atom1" elementType="N" x2="7.2915" y2="-2.0917"/> <atom id="L-ORNITHINE-atom2" elementType="N" x2="2.4186" y2="-3.4823"/> <atom id="L-ORNITHINE-atom3" elementType="O" x2="1.2091" y2="0.0"/> <atom id="L-ORNITHINE-atom4" elementType="O" x2="0.0" y2="-2.0917"/> <atom id="L-ORNITHINE-atom5" elementType="C" x2="6.0824" y2="-1.3902"/> <atom id="L-ORNITHINE-atom6" elementType="C" x2="4.8609" y2="-2.0917"/> <atom id="L-ORNITHINE-atom7" elementType="C" x2="3.6397" y2="-1.3902"/> <atom id="L-ORNITHINE-atom8" elementType="C" x2="1.2091" y2="-1.3902"/> <atom id="L-ORNITHINE-atom9" elementType="C" x2="2.4186" y2="-2.0917"/> <bond id="L-ORNITHINE-bond1" atomRefs="L-ORNITHINE-atom8 L-ORNITHINE-atom9" order="1"/> <bond id="L-ORNITHINE-bond2" atomRefs="L-ORNITHINE-atom9 L-ORNITHINE-atom7" order="1"/> <bond id="L-ORNITHINE-bond3" atomRefs="L-ORNITHINE-atom6 L-ORNITHINE-atom7" order="1"/> <bond id="L-ORNITHINE-bond4" atomRefs="L-ORNITHINE-atom5 L-ORNITHINE-atom6" order="1"/> <bond id="L-ORNITHINE-bond5" atomRefs="L-ORNITHINE-atom4 L-ORNITHINE-atom8" order="1"/> <bond id="L-ORNITHINE-bond6" atomRefs="L-ORNITHINE-atom3 L-ORNITHINE-atom8" order="2"/> <bond id="L-ORNITHINE-bond7" atomRefs="L-ORNITHINE-atom2 L-ORNITHINE-atom9" order="1"/> <bond id="L-ORNITHINE-bond8" atomRefs="L-ORNITHINE-atom1 L-ORNITHINE-atom5" order="1"/> <formula concise="C 5 H 12 N 2 O 2" formalCharge="0"/> 132.162 C(N)CCC(N)C(O)=O
<atom id="CANAVANINE-atom1" elementType="N" x2="9.6996" y2="-1.4004"/> <atom id="CANAVANINE-atom2" elementType="N" x2="8.4869" y2="-3.5003"/> <atom id="CANAVANINE-atom3" elementType="N" x2="2.4249" y2="0.0"/> <atom id="CANAVANINE-atom4" elementType="O" x2="1.2124" y2="-3.5"/> <atom id="CANAVANINE-atom5" elementType="O" x2="0.0" y2="-1.4"/> <atom id="CANAVANINE-atom6" elementType="C" x2="4.8497" y2="-1.4"/> <atom id="CANAVANINE-atom7" elementType="C" x2="3.6373" y2="-2.1"/> <atom id="CANAVANINE-atom8" elementType="N" x2="7.2747" y2="-1.4001"/> <atom id="CANAVANINE-atom9" elementType="O" x2="6.0621" y2="-2.1"/> <atom id="CANAVANINE-atom10" elementType="C" x2="8.4871" y2="-2.1003"/> <atom id="CANAVANINE-atom11" elementType="C" x2="1.2124" y2="-2.1"/> <atom id="CANAVANINE-atom12" elementType="C" x2="2.4248" y2="-1.4"/> <bond id="CANAVANINE-bond1" atomRefs="CANAVANINE-atom11 CANAVANINE-atom12" order="1"/> <bond id="CANAVANINE-bond2" atomRefs="CANAVANINE-atom8 CANAVANINE-atom10" order="1"/> <bond id="CANAVANINE-bond3" atomRefs="CANAVANINE-atom8 CANAVANINE-atom9" order="1"/> <bond id="CANAVANINE-bond4" atomRefs="CANAVANINE-atom7 CANAVANINE-atom12" order="1"/> <bond id="CANAVANINE-bond5" atomRefs="CANAVANINE-atom6 CANAVANINE-atom9" order="1"/> <bond id="CANAVANINE-bond6" atomRefs="CANAVANINE-atom6 CANAVANINE-atom7" order="1"/> <bond id="CANAVANINE-bond7" atomRefs="CANAVANINE-atom5 CANAVANINE-atom11" order="1"/> <bond id="CANAVANINE-bond8" atomRefs="CANAVANINE-atom4 CANAVANINE-atom11" order="2"/> <bond id="CANAVANINE-bond9" atomRefs="CANAVANINE-atom3 CANAVANINE-atom12" order="1"/> <bond id="CANAVANINE-bond10" atomRefs="CANAVANINE-atom2 CANAVANINE-atom10" order="1"/> <bond id="CANAVANINE-bond11" atomRefs="CANAVANINE-atom1 CANAVANINE-atom10" order="2"/> <formula concise="C 5 H 12 N 4 O 3" formalCharge="0"/> 176.175 C(ONC(N)=N)CC(N)C(O)=O
<atom id="L-CANALINE-atom1" elementType="N" x2="0.0" y2="0.0"/> <atom id="L-CANALINE-atom2" elementType="N" x2="1.2123" y2="-4.9"/> <atom id="L-CANALINE-atom3" elementType="O" x2="3.6372" y2="-6.3"/> <atom id="L-CANALINE-atom4" elementType="O" x2="4.8497" y2="-4.2"/> <atom id="L-CANALINE-atom5" elementType="C" x2="1.2124" y2="-2.1"/> <atom id="L-CANALINE-atom6" elementType="C" x2="2.4248" y2="-2.8"/> <atom id="L-CANALINE-atom7" elementType="O" x2="1.2124" y2="-0.7"/> <atom id="L-CANALINE-atom8" elementType="C" x2="3.6372" y2="-4.9"/> <atom id="L-CANALINE-atom9" elementType="C" x2="2.4248" y2="-4.2"/> <bond id="L-CANALINE-bond1" atomRefs="L-CANALINE-atom8 L-CANALINE-atom9" order="1"/> <bond id="L-CANALINE-bond2" atomRefs="L-CANALINE-atom6 L-CANALINE-atom9" order="1"/> <bond id="L-CANALINE-bond3" atomRefs="L-CANALINE-atom5 L-CANALINE-atom7" order="1"/> <bond id="L-CANALINE-bond4" atomRefs="L-CANALINE-atom5 L-CANALINE-atom6" order="1"/> <bond id="L-CANALINE-bond5" atomRefs="L-CANALINE-atom4 L-CANALINE-atom8" order="1"/> <bond id="L-CANALINE-bond6" atomRefs="L-CANALINE-atom3 L-CANALINE-atom8" order="2"/> <bond id="L-CANALINE-bond7" atomRefs="L-CANALINE-atom9 L-CANALINE-atom2" order="1"/> <bond id="L-CANALINE-bond8" atomRefs="L-CANALINE-atom1 L-CANALINE-atom7" order="1"/> <formula concise="C 4 H 10 N 2 O 3" formalCharge="0"/> 134.135 C(ON)CC(N)C(O)=O
<atom id="DEOXYCYTIDINE-atom1" elementType="N" x2="5.5499" y2="-8.3319"/> <atom id="DEOXYCYTIDINE-atom2" elementType="O" x2="3.2191" y2="-4.2846"/> <atom id="DEOXYCYTIDINE-atom3" elementType="O" x2="0.0" y2="-1.8983"/> <atom id="DEOXYCYTIDINE-atom4" elementType="O" x2="1.8956" y2="0.0"/> <atom id="DEOXYCYTIDINE-atom5" elementType="C" x2="6.7342" y2="-6.313"/> <atom id="DEOXYCYTIDINE-atom6" elementType="C" x2="6.7342" y2="-4.952"/> <atom id="DEOXYCYTIDINE-atom7" elementType="C" x2="1.0039" y2="-2.7949"/> <atom id="DEOXYCYTIDINE-atom8" elementType="C" x2="4.0439" y2="-1.0861"/> <atom id="DEOXYCYTIDINE-atom9" elementType="N" x2="4.3879" y2="-6.313"/> <atom id="DEOXYCYTIDINE-atom10" elementType="O" x2="3.3634" y2="-3.1574"/> <atom id="DEOXYCYTIDINE-atom11" elementType="C" x2="5.5535" y2="-6.9859"/> <atom id="DEOXYCYTIDINE-atom12" elementType="C" x2="4.3879" y2="-4.952"/> <atom id="DEOXYCYTIDINE-atom13" elementType="C" x2="2.6904" y2="-1.0861"/> <atom id="DEOXYCYTIDINE-atom14" elementType="C" x2="2.2822" y2="-2.3737"/> <atom id="DEOXYCYTIDINE-atom15" elementType="C" x2="4.4599" y2="-2.3737"/> <atom id="DEOXYCYTIDINE-atom16" elementType="N" x2="5.551" y2="-4.2612"/> <bond id="DEOXYCYTIDINE-bond1" atomRefs="DEOXYCYTIDINE-atom15 DEOXYCYTIDINE-atom16" order="1"/> <bond id="DEOXYCYTIDINE-bond2" atomRefs="DEOXYCYTIDINE-atom13 DEOXYCYTIDINE-atom14" order="1"/> <bond id="DEOXYCYTIDINE-bond3" atomRefs="DEOXYCYTIDINE-atom12 DEOXYCYTIDINE-atom16" order="A"/> <bond id="DEOXYCYTIDINE-bond4" atomRefs="DEOXYCYTIDINE-atom10 DEOXYCYTIDINE-atom15" order="1"/> <bond id="DEOXYCYTIDINE-bond5" atomRefs="DEOXYCYTIDINE-atom10 DEOXYCYTIDINE-atom14" order="1"/> <bond id="DEOXYCYTIDINE-bond6" atomRefs="DEOXYCYTIDINE-atom9 DEOXYCYTIDINE-atom12" order="A"/> <bond id="DEOXYCYTIDINE-bond7" atomRefs="DEOXYCYTIDINE-atom11 DEOXYCYTIDINE-atom9" order="A"/> <bond id="DEOXYCYTIDINE-bond8" atomRefs="DEOXYCYTIDINE-atom8 DEOXYCYTIDINE-atom15" order="1"/> <bond id="DEOXYCYTIDINE-bond9" atomRefs="DEOXYCYTIDINE-atom8 DEOXYCYTIDINE-atom13" order="1"/> <bond id="DEOXYCYTIDINE-bond10" atomRefs="DEOXYCYTIDINE-atom14 DEOXYCYTIDINE-atom7" order="1"/> <bond id="DEOXYCYTIDINE-bond11" atomRefs="DEOXYCYTIDINE-atom16 DEOXYCYTIDINE-atom6" order="A"/> <bond id="DEOXYCYTIDINE-bond12" atomRefs="DEOXYCYTIDINE-atom5 DEOXYCYTIDINE-atom11" order="A"/> <bond id="DEOXYCYTIDINE-bond13" atomRefs="DEOXYCYTIDINE-atom6 DEOXYCYTIDINE-atom5" order="A"/> <bond id="DEOXYCYTIDINE-bond14" atomRefs="DEOXYCYTIDINE-atom13 DEOXYCYTIDINE-atom4" order="1"/> <bond id="DEOXYCYTIDINE-bond15" atomRefs="DEOXYCYTIDINE-atom3 DEOXYCYTIDINE-atom7" order="1"/> <bond id="DEOXYCYTIDINE-bond16" atomRefs="DEOXYCYTIDINE-atom2 DEOXYCYTIDINE-atom12" order="2"/> <bond id="DEOXYCYTIDINE-bond17" atomRefs="DEOXYCYTIDINE-atom1 DEOXYCYTIDINE-atom11" order="1"/> <formula concise="C 9 H 13 N 3 O 4" formalCharge="0"/> 227.219 c1(n(c(=O)nc(c1)N)C2(OC(C(C2)O)CO))
<atom id="DEOXYURIDINE-atom1" elementType="H" x2="3.1823" y2="-7.0247"/> <atom id="DEOXYURIDINE-atom2" elementType="O" x2="5.5499" y2="-8.3319"/> <atom id="DEOXYURIDINE-atom3" elementType="O" x2="3.2191" y2="-4.2846"/> <atom id="DEOXYURIDINE-atom4" elementType="O" x2="0.0" y2="-1.8983"/> <atom id="DEOXYURIDINE-atom5" elementType="O" x2="1.8956" y2="0.0"/> <atom id="DEOXYURIDINE-atom6" elementType="C" x2="6.7342" y2="-6.313"/> <atom id="DEOXYURIDINE-atom7" elementType="C" x2="6.7342" y2="-4.952"/> <atom id="DEOXYURIDINE-atom8" elementType="C" x2="1.0039" y2="-2.7949"/> <atom id="DEOXYURIDINE-atom9" elementType="C" x2="4.0439" y2="-1.0861"/> <atom id="DEOXYURIDINE-atom10" elementType="O" x2="3.3634" y2="-3.1574"/> <atom id="DEOXYURIDINE-atom11" elementType="C" x2="5.5535" y2="-6.9859"/> <atom id="DEOXYURIDINE-atom12" elementType="C" x2="4.3879" y2="-4.952"/> <atom id="DEOXYURIDINE-atom13" elementType="C" x2="2.6904" y2="-1.0861"/> <atom id="DEOXYURIDINE-atom14" elementType="C" x2="2.2822" y2="-2.3737"/> <atom id="DEOXYURIDINE-atom15" elementType="C" x2="4.4599" y2="-2.3737"/> <atom id="DEOXYURIDINE-atom16" elementType="N" x2="4.3879" y2="-6.313"/> <atom id="DEOXYURIDINE-atom17" elementType="N" x2="5.551" y2="-4.2612"/> <bond id="DEOXYURIDINE-bond1" atomRefs="DEOXYURIDINE-atom15 DEOXYURIDINE-atom17" order="1"/> <bond id="DEOXYURIDINE-bond2" atomRefs="DEOXYURIDINE-atom13 DEOXYURIDINE-atom14" order="1"/> <bond id="DEOXYURIDINE-bond3" atomRefs="DEOXYURIDINE-atom12 DEOXYURIDINE-atom17" order="A"/> <bond id="DEOXYURIDINE-bond4" atomRefs="DEOXYURIDINE-atom16 DEOXYURIDINE-atom12" order="A"/> <bond id="DEOXYURIDINE-bond5" atomRefs="DEOXYURIDINE-atom11 DEOXYURIDINE-atom16" order="A"/> <bond id="DEOXYURIDINE-bond6" atomRefs="DEOXYURIDINE-atom10 DEOXYURIDINE-atom15" order="1"/> <bond id="DEOXYURIDINE-bond7" atomRefs="DEOXYURIDINE-atom10 DEOXYURIDINE-atom14" order="1"/> <bond id="DEOXYURIDINE-bond8" atomRefs="DEOXYURIDINE-atom9 DEOXYURIDINE-atom15" order="1"/> <bond id="DEOXYURIDINE-bond9" atomRefs="DEOXYURIDINE-atom9 DEOXYURIDINE-atom13" order="1"/> <bond id="DEOXYURIDINE-bond10" atomRefs="DEOXYURIDINE-atom14 DEOXYURIDINE-atom8" order="1"/> <bond id="DEOXYURIDINE-bond11" atomRefs="DEOXYURIDINE-atom17 DEOXYURIDINE-atom7" order="A"/> <bond id="DEOXYURIDINE-bond12" atomRefs="DEOXYURIDINE-atom6 DEOXYURIDINE-atom11" order="A"/> <bond id="DEOXYURIDINE-bond13" atomRefs="DEOXYURIDINE-atom7 DEOXYURIDINE-atom6" order="A"/> <bond id="DEOXYURIDINE-bond14" atomRefs="DEOXYURIDINE-atom13 DEOXYURIDINE-atom5" order="1"/> <bond id="DEOXYURIDINE-bond15" atomRefs="DEOXYURIDINE-atom4 DEOXYURIDINE-atom8" order="1"/> <bond id="DEOXYURIDINE-bond16" atomRefs="DEOXYURIDINE-atom3 DEOXYURIDINE-atom12" order="2"/> <bond id="DEOXYURIDINE-bond17" atomRefs="DEOXYURIDINE-atom2 DEOXYURIDINE-atom11" order="2"/> <bond id="DEOXYURIDINE-bond18" atomRefs="DEOXYURIDINE-atom1 DEOXYURIDINE-atom16" order="1"/> <formula concise="C 9 H 12 N 2 O 5" formalCharge="0"/> 228.204 c1(n(c(=O)[nH]c(c1)=O)C2(OC(C(C2)O)CO))
<atom id="CYTIDINE-atom1" elementType="H" x2="0.02783" y2="-0.67347"/> <atom id="CYTIDINE-atom2" elementType="C" x2="-0.53618" y2="-0.69202"/> <atom id="CYTIDINE-atom3" elementType="C" x2="-0.57699" y2="-0.3321"/> <atom id="CYTIDINE-atom4" elementType="O" x2="-0.1577" y2="-1.0"/> <atom id="CYTIDINE-atom5" elementType="N" x2="0.13915" y2="-0.0872"/> <atom id="CYTIDINE-atom6" elementType="O" x2="-0.23191" y2="-0.17254"/> <atom id="CYTIDINE-atom7" elementType="N" x2="-0.03154" y2="0.5436"/> <atom id="CYTIDINE-atom8" elementType="C" x2="0.02783" y2="-0.44712"/> <atom id="CYTIDINE-atom9" elementType="C" x2="0.6141" y2="0.36178"/> <atom id="CYTIDINE-atom10" elementType="N" x2="0.45826" y2="0.99629"/> <atom id="CYTIDINE-atom11" elementType="O" x2="-1.0" y2="-0.06122"/> <atom id="CYTIDINE-atom12" elementType="C" x2="0.50649" y2="0.00557"/> <atom id="CYTIDINE-atom13" elementType="H" x2="-0.20223" y2="-0.55102"/> <atom id="CYTIDINE-atom14" elementType="C" x2="-0.12801" y2="0.17254"/> <atom id="CYTIDINE-atom15" elementType="O" x2="-0.50278" y2="0.17254"/> <atom id="CYTIDINE-atom16" elementType="C" x2="0.35065" y2="0.63636"/> <atom id="CYTIDINE-atom17" elementType="C" x2="-0.1577" y2="-0.77365"/> <atom id="CYTIDINE-atom18" elementType="C" x2="-0.62523" y2="-0.06122"/> <atom id="CYTIDINE-atom19" elementType="H" x2="-0.43599" y2="-0.49165"/> <atom id="CYTIDINE-atom20" elementType="O" x2="-0.57699" y2="-0.91466"/> <atom id="CYTIDINE-atom21" elementType="H" x2="-0.68089" y2="-0.53247"/> <bond id="CYTIDINE-bond1" atomRefs="CYTIDINE-atom21 CYTIDINE-atom3" order="1"/> <bond id="CYTIDINE-bond2" atomRefs="CYTIDINE-atom20 CYTIDINE-atom2" order="1"/> <bond id="CYTIDINE-bond3" atomRefs="CYTIDINE-atom19 CYTIDINE-atom2" order="1"/> <bond id="CYTIDINE-bond4" atomRefs="CYTIDINE-atom18 CYTIDINE-atom3" order="1"/> <bond id="CYTIDINE-bond5" atomRefs="CYTIDINE-atom17 CYTIDINE-atom8" order="1"/> <bond id="CYTIDINE-bond6" atomRefs="CYTIDINE-atom7 CYTIDINE-atom16" order="A"/> <bond id="CYTIDINE-bond7" atomRefs="CYTIDINE-atom16 CYTIDINE-atom9" order="A"/> <bond id="CYTIDINE-bond8" atomRefs="CYTIDINE-atom15 CYTIDINE-atom14" order="2"/> <bond id="CYTIDINE-bond9" atomRefs="CYTIDINE-atom5 CYTIDINE-atom14" order="A"/> <bond id="CYTIDINE-bond10" atomRefs="CYTIDINE-atom13 CYTIDINE-atom17" order="1"/> <bond id="CYTIDINE-bond11" atomRefs="CYTIDINE-atom12 CYTIDINE-atom5" order="A"/> <bond id="CYTIDINE-bond12" atomRefs="CYTIDINE-atom11 CYTIDINE-atom18" order="1"/> <bond id="CYTIDINE-bond13" atomRefs="CYTIDINE-atom10 CYTIDINE-atom16" order="1"/> <bond id="CYTIDINE-bond14" atomRefs="CYTIDINE-atom9 CYTIDINE-atom12" order="A"/> <bond id="CYTIDINE-bond15" atomRefs="CYTIDINE-atom8 CYTIDINE-atom5" order="1"/> <bond id="CYTIDINE-bond16" atomRefs="CYTIDINE-atom14 CYTIDINE-atom7" order="A"/> <bond id="CYTIDINE-bond17" atomRefs="CYTIDINE-atom6 CYTIDINE-atom8" order="1"/> <bond id="CYTIDINE-bond18" atomRefs="CYTIDINE-atom4 CYTIDINE-atom17" order="1"/> <bond id="CYTIDINE-bond19" atomRefs="CYTIDINE-atom3 CYTIDINE-atom6" order="1"/> <bond id="CYTIDINE-bond20" atomRefs="CYTIDINE-atom2 CYTIDINE-atom3" order="1"/> <bond id="CYTIDINE-bond21" atomRefs="CYTIDINE-atom2 CYTIDINE-atom17" order="1"/> <bond id="CYTIDINE-bond22" atomRefs="CYTIDINE-atom1 CYTIDINE-atom8" order="1"/> <formula concise="C 9 H 13 N 3 O 5" formalCharge="0"/> 243.219 [CH]1(O[CH](CO)[CH](O)[CH](O)1)n2(c(=O)nc(N)cc2)
<atom id="DUMP-atom1" elementType="H" x2="6.2887" y2="-6.9775"/> <atom id="DUMP-atom2" elementType="O" x2="8.6568" y2="-8.286"/> <atom id="DUMP-atom3" elementType="O" x2="6.3186" y2="-4.233"/> <atom id="DUMP-atom4" elementType="O" x2="1.3481" y2="-3.2488"/> <atom id="DUMP-atom5" elementType="O" x2="4.5912" y2="0.0"/> <atom id="DUMP-atom6" elementType="O" x2="1.3441" y2="-0.5556"/> <atom id="DUMP-atom7" elementType="O" x2="0.0" y2="-1.9023"/> <atom id="DUMP-atom8" elementType="C" x2="9.8417" y2="-6.2659"/> <atom id="DUMP-atom9" elementType="C" x2="9.8417" y2="-4.9043"/> <atom id="DUMP-atom10" elementType="C" x2="3.6988" y2="-2.7962"/> <atom id="DUMP-atom11" elementType="C" x2="6.7405" y2="-1.0866"/> <atom id="DUMP-atom12" elementType="O" x2="2.6947" y2="-1.8993"/> <atom id="DUMP-atom13" elementType="O" x2="6.0599" y2="-3.159"/> <atom id="DUMP-atom14" elementType="C" x2="8.6604" y2="-6.9393"/> <atom id="DUMP-atom15" elementType="C" x2="7.4943" y2="-4.9043"/> <atom id="DUMP-atom16" elementType="C" x2="5.3866" y2="-1.0866"/> <atom id="DUMP-atom17" elementType="C" x2="4.9779" y2="-2.375"/> <atom id="DUMP-atom18" elementType="C" x2="7.1568" y2="-2.375"/> <atom id="DUMP-atom19" elementType="N" x2="7.4943" y2="-6.2659"/> <atom id="DUMP-atom20" elementType="N" x2="8.6604" y2="-4.2162"/> <atom id="DUMP-atom21" elementType="P" x2="1.3466" y2="-1.9023"/> <bond id="DUMP-bond1" atomRefs="DUMP-atom18 DUMP-atom20" order="1"/> <bond id="DUMP-bond2" atomRefs="DUMP-atom16 DUMP-atom17" order="1"/> <bond id="DUMP-bond3" atomRefs="DUMP-atom15 DUMP-atom20" order="A"/> <bond id="DUMP-bond4" atomRefs="DUMP-atom19 DUMP-atom15" order="A"/> <bond id="DUMP-bond5" atomRefs="DUMP-atom14 DUMP-atom19" order="A"/> <bond id="DUMP-bond6" atomRefs="DUMP-atom13 DUMP-atom18" order="1"/> <bond id="DUMP-bond7" atomRefs="DUMP-atom13 DUMP-atom17" order="1"/> <bond id="DUMP-bond8" atomRefs="DUMP-atom12 DUMP-atom21" order="1"/> <bond id="DUMP-bond9" atomRefs="DUMP-atom11 DUMP-atom18" order="1"/> <bond id="DUMP-bond10" atomRefs="DUMP-atom11 DUMP-atom16" order="1"/> <bond id="DUMP-bond11" atomRefs="DUMP-atom17 DUMP-atom10" order="1"/> <bond id="DUMP-bond12" atomRefs="DUMP-atom10 DUMP-atom12" order="1"/> <bond id="DUMP-bond13" atomRefs="DUMP-atom20 DUMP-atom9" order="A"/> <bond id="DUMP-bond14" atomRefs="DUMP-atom8 DUMP-atom14" order="A"/> <bond id="DUMP-bond15" atomRefs="DUMP-atom9 DUMP-atom8" order="A"/> <bond id="DUMP-bond16" atomRefs="DUMP-atom7 DUMP-atom21" order="1"/> <bond id="DUMP-bond17" atomRefs="DUMP-atom6 DUMP-atom21" order="1"/> <bond id="DUMP-bond18" atomRefs="DUMP-atom16 DUMP-atom5" order="1"/> <bond id="DUMP-bond19" atomRefs="DUMP-atom4 DUMP-atom21" order="2"/> <bond id="DUMP-bond20" atomRefs="DUMP-atom3 DUMP-atom15" order="2"/> <bond id="DUMP-bond21" atomRefs="DUMP-atom2 DUMP-atom14" order="2"/> <bond id="DUMP-bond22" atomRefs="DUMP-atom1 DUMP-atom19" order="1"/> <formula concise="C 9 H 13 N 2 O 8 P 1" formalCharge="0"/> 308.184 c1(n(c(=O)[nH]c(c1)=O)C2(OC(C(C2)O)COP(O)(O)=O))
Desoxyuridine 5'-triphosphate nucleotidohydrolase
<atom id="4-FUMARYL-ACETOACETATE-atom1" elementType="O" x2="-0.7585" y2="-1.0"/> <atom id="4-FUMARYL-ACETOACETATE-atom2" elementType="O" x2="0.7551" y2="-0.9898"/> <atom id="4-FUMARYL-ACETOACETATE-atom3" elementType="O" x2="0.9966" y2="-0.7483"/> <atom id="4-FUMARYL-ACETOACETATE-atom4" elementType="C" x2="-0.7585" y2="-0.7585"/> <atom id="4-FUMARYL-ACETOACETATE-atom5" elementType="C" x2="0.34354" y2="-0.7585"/> <atom id="4-FUMARYL-ACETOACETATE-atom6" elementType="C" x2="0.54762" y2="-0.64286"/> <atom id="4-FUMARYL-ACETOACETATE-atom7" elementType="C" x2="-0.26871" y2="-0.64286"/> <atom id="4-FUMARYL-ACETOACETATE-atom8" elementType="O" x2="-0.06463" y2="-1.0"/> <atom id="4-FUMARYL-ACETOACETATE-atom9" elementType="C" x2="-0.47279" y2="-0.7585"/> <atom id="4-FUMARYL-ACETOACETATE-atom10" elementType="C" x2="0.13946" y2="-0.64286"/> <atom id="4-FUMARYL-ACETOACETATE-atom11" elementType="C" x2="-0.06463" y2="-0.7585"/> <atom id="4-FUMARYL-ACETOACETATE-atom12" elementType="O" x2="-1.0" y2="-0.7585"/> <atom id="4-FUMARYL-ACETOACETATE-atom13" elementType="O" x2="0.34354" y2="-1.0"/> <atom id="4-FUMARYL-ACETOACETATE-atom14" elementType="C" x2="0.7551" y2="-0.7483"/> <bond id="4-FUMARYL-ACETOACETATE-bond1" atomRefs="4-FUMARYL-ACETOACETATE-atom14 4-FUMARYL-ACETOACETATE-atom6" order="1"/> <bond id="4-FUMARYL-ACETOACETATE-bond2" atomRefs="4-FUMARYL-ACETOACETATE-atom13 4-FUMARYL-ACETOACETATE-atom5" order="2"/> <bond id="4-FUMARYL-ACETOACETATE-bond3" atomRefs="4-FUMARYL-ACETOACETATE-atom12 4-FUMARYL-ACETOACETATE-atom4" order="1"/> <bond id="4-FUMARYL-ACETOACETATE-bond4" atomRefs="4-FUMARYL-ACETOACETATE-atom11 4-FUMARYL-ACETOACETATE-atom7" order="1"/> <bond id="4-FUMARYL-ACETOACETATE-bond5" atomRefs="4-FUMARYL-ACETOACETATE-atom10 4-FUMARYL-ACETOACETATE-atom11" order="1"/> <bond id="4-FUMARYL-ACETOACETATE-bond6" atomRefs="4-FUMARYL-ACETOACETATE-atom9 4-FUMARYL-ACETOACETATE-atom4" order="1"/> <bond id="4-FUMARYL-ACETOACETATE-bond7" atomRefs="4-FUMARYL-ACETOACETATE-atom8 4-FUMARYL-ACETOACETATE-atom11" order="2"/> <bond id="4-FUMARYL-ACETOACETATE-bond8" atomRefs="4-FUMARYL-ACETOACETATE-atom7 4-FUMARYL-ACETOACETATE-atom9" order="2"/> <bond id="4-FUMARYL-ACETOACETATE-bond9" atomRefs="4-FUMARYL-ACETOACETATE-atom6 4-FUMARYL-ACETOACETATE-atom5" order="1"/> <bond id="4-FUMARYL-ACETOACETATE-bond10" atomRefs="4-FUMARYL-ACETOACETATE-atom5 4-FUMARYL-ACETOACETATE-atom10" order="1"/> <bond id="4-FUMARYL-ACETOACETATE-bond11" atomRefs="4-FUMARYL-ACETOACETATE-atom3 4-FUMARYL-ACETOACETATE-atom14" order="1"/> <bond id="4-FUMARYL-ACETOACETATE-bond12" atomRefs="4-FUMARYL-ACETOACETATE-atom2 4-FUMARYL-ACETOACETATE-atom14" order="2"/> <bond id="4-FUMARYL-ACETOACETATE-bond13" atomRefs="4-FUMARYL-ACETOACETATE-atom1 4-FUMARYL-ACETOACETATE-atom4" order="2"/> <formula concise="C 8 H 8 O 6" formalCharge="0"/> 200.148 C(=O)(O)C=CC(=O)CC(=O)CC(O)=O
<atom id="FUM-atom1" elementType="O" x2="-0.86689" y2="-0.02496"/> <atom id="FUM-atom2" elementType="C" x2="-0.68053" y2="-0.54742"/> <atom id="FUM-atom3" elementType="O" x2="0.99667" y2="0.40765"/> <atom id="FUM-atom4" elementType="C" x2="-0.12146" y2="-0.54742"/> <atom id="FUM-atom5" elementType="C" x2="0.71048" y2="-0.06822"/> <atom id="FUM-atom6" elementType="O" x2="0.99667" y2="-0.54409"/> <atom id="FUM-atom7" elementType="C" x2="0.15141" y2="-0.06822"/> <atom id="FUM-atom8" elementType="O" x2="-1.0" y2="-1.0"/> <bond id="FUM-bond1" atomRefs="FUM-atom8 FUM-atom2" order="2"/> <bond id="FUM-bond2" atomRefs="FUM-atom7 FUM-atom4" order="2"/> <bond id="FUM-bond3" atomRefs="FUM-atom6 FUM-atom5" order="1"/> <bond id="FUM-bond4" atomRefs="FUM-atom5 FUM-atom7" order="1"/> <bond id="FUM-bond5" atomRefs="FUM-atom4 FUM-atom2" order="1"/> <bond id="FUM-bond6" atomRefs="FUM-atom3 FUM-atom5" order="2"/> <bond id="FUM-bond7" atomRefs="FUM-atom1 FUM-atom2" order="1"/> <formula concise="C 4 H 4 O 4" formalCharge="0"/> 116.073 C(O)(=O)C=CC(O)=O
<atom id="3-KETOBUTYRATE-atom1" elementType="C" x2="-0.0066" y2="-0.42904"/> <atom id="3-KETOBUTYRATE-atom2" elementType="O" x2="-0.0099" y2="0.70297"/> <atom id="3-KETOBUTYRATE-atom3" elementType="O" x2="-1.0" y2="0.12871"/> <atom id="3-KETOBUTYRATE-atom4" elementType="C" x2="-0.33993" y2="0.12871"/> <atom id="3-KETOBUTYRATE-atom5" elementType="C" x2="0.9901" y2="0.14191"/> <atom id="3-KETOBUTYRATE-atom6" elementType="C" x2="0.66007" y2="-0.42904"/> <atom id="3-KETOBUTYRATE-atom7" elementType="O" x2="0.9967" y2="-1.0"/> <bond id="3-KETOBUTYRATE-bond1" atomRefs="3-KETOBUTYRATE-atom7 3-KETOBUTYRATE-atom6" order="2"/> <bond id="3-KETOBUTYRATE-bond2" atomRefs="3-KETOBUTYRATE-atom6 3-KETOBUTYRATE-atom1" order="1"/> <bond id="3-KETOBUTYRATE-bond3" atomRefs="3-KETOBUTYRATE-atom5 3-KETOBUTYRATE-atom6" order="1"/> <bond id="3-KETOBUTYRATE-bond4" atomRefs="3-KETOBUTYRATE-atom4 3-KETOBUTYRATE-atom1" order="1"/> <bond id="3-KETOBUTYRATE-bond5" atomRefs="3-KETOBUTYRATE-atom3 3-KETOBUTYRATE-atom4" order="2"/> <bond id="3-KETOBUTYRATE-bond6" atomRefs="3-KETOBUTYRATE-atom2 3-KETOBUTYRATE-atom4" order="1"/> <formula concise="C 4 H 6 O 3" formalCharge="0"/> 102.09 C(O)(=O)CC(=O)C
<atom id="CPD-67-atom1" elementType="C" x2="5.7" y2="-1.25"/> <atom id="CPD-67-atom2" elementType="P" x2="7.0977" y2="-1.6376"/> <atom id="CPD-67-atom3" elementType="O" x2="7.0887" y2="-2.3709"/> <atom id="CPD-67-atom4" elementType="O" x2="7.8767" y2="-1.6513"/> <atom id="CPD-67-atom5" elementType="O" x2="7.1108" y2="-0.9002"/> <atom id="CPD-67-atom6" elementType="O" x2="6.3477" y2="-1.6285"/> <atom id="CPD-67-atom7" elementType="C" x2="5.7039" y2="-0.5"/> <atom id="CPD-67-atom8" elementType="O" x2="6.3565" y2="-0.1306"/> <atom id="CPD-67-atom9" elementType="O" x2="5.055" y2="-0.1237"/> <bond id="CPD-67-bond1" atomRefs="CPD-67-atom1 CPD-67-atom7" order="1"/> <bond id="CPD-67-bond2" atomRefs="CPD-67-atom7 CPD-67-atom9" order="2"/> <bond id="CPD-67-bond3" atomRefs="CPD-67-atom7 CPD-67-atom8" order="1"/> <bond id="CPD-67-bond4" atomRefs="CPD-67-atom2 CPD-67-atom6" order="1"/> <bond id="CPD-67-bond5" atomRefs="CPD-67-atom2 CPD-67-atom5" order="1"/> <bond id="CPD-67-bond6" atomRefs="CPD-67-atom2 CPD-67-atom4" order="2"/> <bond id="CPD-67-bond7" atomRefs="CPD-67-atom2 CPD-67-atom3" order="1"/> <bond id="CPD-67-bond8" atomRefs="CPD-67-atom1 CPD-67-atom6" order="1"/> <formula concise="C 2 H 5 O 6 P 1" formalCharge="0"/> 156.032 C(C(=O)O)OP(=O)(O)O
ribulose bisphosphate carboxylase/oxygenase
<atom id="MESO-DIAMINOPIMELATE-atom1" elementType="C" x2="1.9602" y2="4.2813"/> <atom id="MESO-DIAMINOPIMELATE-atom2" elementType="C" x2="2.6747" y2="3.8688"/> <atom id="MESO-DIAMINOPIMELATE-atom3" elementType="C" x2="3.3891" y2="4.2813"/> <atom id="MESO-DIAMINOPIMELATE-atom4" elementType="C" x2="0.5313" y2="4.2813"/> <atom id="MESO-DIAMINOPIMELATE-atom5" elementType="O" x2="-0.1832" y2="3.8688"/> <atom id="MESO-DIAMINOPIMELATE-atom6" elementType="O" x2="0.3177" y2="5.0781"/> <atom id="MESO-DIAMINOPIMELATE-atom7" elementType="C" x2="1.2457" y2="3.8688"/> <atom id="MESO-DIAMINOPIMELATE-atom8" elementType="C" x2="4.1036" y2="3.8688"/> <atom id="MESO-DIAMINOPIMELATE-atom9" elementType="N" x2="1.2457" y2="3.0438"/> <atom id="MESO-DIAMINOPIMELATE-atom10" elementType="N" x2="4.1036" y2="3.0438"/> <atom id="MESO-DIAMINOPIMELATE-atom11" elementType="C" x2="4.687" y2="4.4521"/> <atom id="MESO-DIAMINOPIMELATE-atom12" elementType="O" x2="4.687" y2="5.2771"/> <atom id="MESO-DIAMINOPIMELATE-atom13" elementType="O" x2="5.4839" y2="4.2386"/> <bond id="MESO-DIAMINOPIMELATE-bond1" atomRefs="MESO-DIAMINOPIMELATE-atom11 MESO-DIAMINOPIMELATE-atom12" order="2"/> <bond id="MESO-DIAMINOPIMELATE-bond2" atomRefs="MESO-DIAMINOPIMELATE-atom11 MESO-DIAMINOPIMELATE-atom13" order="1"/> <bond id="MESO-DIAMINOPIMELATE-bond3" atomRefs="MESO-DIAMINOPIMELATE-atom8 MESO-DIAMINOPIMELATE-atom10" order="1"/> <bond id="MESO-DIAMINOPIMELATE-bond4" atomRefs="MESO-DIAMINOPIMELATE-atom7 MESO-DIAMINOPIMELATE-atom9" order="1"/> <bond id="MESO-DIAMINOPIMELATE-bond5" atomRefs="MESO-DIAMINOPIMELATE-atom4 MESO-DIAMINOPIMELATE-atom5" order="2"/> <bond id="MESO-DIAMINOPIMELATE-bond6" atomRefs="MESO-DIAMINOPIMELATE-atom4 MESO-DIAMINOPIMELATE-atom6" order="1"/> <bond id="MESO-DIAMINOPIMELATE-bond7" atomRefs="MESO-DIAMINOPIMELATE-atom8 MESO-DIAMINOPIMELATE-atom11" order="1"/> <bond id="MESO-DIAMINOPIMELATE-bond8" atomRefs="MESO-DIAMINOPIMELATE-atom3 MESO-DIAMINOPIMELATE-atom8" order="1"/> <bond id="MESO-DIAMINOPIMELATE-bond9" atomRefs="MESO-DIAMINOPIMELATE-atom2 MESO-DIAMINOPIMELATE-atom3" order="1"/> <bond id="MESO-DIAMINOPIMELATE-bond10" atomRefs="MESO-DIAMINOPIMELATE-atom1 MESO-DIAMINOPIMELATE-atom2" order="1"/> <bond id="MESO-DIAMINOPIMELATE-bond11" atomRefs="MESO-DIAMINOPIMELATE-atom7 MESO-DIAMINOPIMELATE-atom1" order="1"/> <bond id="MESO-DIAMINOPIMELATE-bond12" atomRefs="MESO-DIAMINOPIMELATE-atom4 MESO-DIAMINOPIMELATE-atom7" order="1"/> <formula concise="C 7 H 14 N 2 O 4" formalCharge="0"/> 190.199 C(O)(=O)C(N)CCCC(N)C(=O)O
<atom id="LYS-atom1" elementType="N" x2="0.0" y2="-1.7494"/> <atom id="LYS-atom2" elementType="N" x2="6.0947" y2="-3.7899"/> <atom id="LYS-atom3" elementType="O" x2="7.0847" y2="0.0"/> <atom id="LYS-atom4" elementType="O" x2="8.4371" y2="-1.7623"/> <atom id="LYS-atom5" elementType="C" x2="1.2449" y2="-2.3899"/> <atom id="LYS-atom6" elementType="C" x2="2.4574" y2="-1.6899"/> <atom id="LYS-atom7" elementType="C" x2="3.6699" y2="-2.3899"/> <atom id="LYS-atom8" elementType="C" x2="4.8822" y2="-1.6899"/> <atom id="LYS-atom9" elementType="C" x2="7.0847" y2="-1.4"/> <atom id="LYS-atom10" elementType="C" x2="6.0947" y2="-2.3899"/> <bond id="LYS-bond1" atomRefs="LYS-atom9 LYS-atom10" order="1"/> <bond id="LYS-bond2" atomRefs="LYS-atom8 LYS-atom10" order="1"/> <bond id="LYS-bond3" atomRefs="LYS-atom7 LYS-atom8" order="1"/> <bond id="LYS-bond4" atomRefs="LYS-atom6 LYS-atom7" order="1"/> <bond id="LYS-bond5" atomRefs="LYS-atom5 LYS-atom6" order="1"/> <bond id="LYS-bond6" atomRefs="LYS-atom4 LYS-atom9" order="1"/> <bond id="LYS-bond7" atomRefs="LYS-atom3 LYS-atom9" order="2"/> <bond id="LYS-bond8" atomRefs="LYS-atom10 LYS-atom2" order="1"/> <bond id="LYS-bond9" atomRefs="LYS-atom1 LYS-atom5" order="1"/> <formula concise="C 6 H 14 N 2 O 2" formalCharge="0"/> 146.189 C(N)CCCC(N)C(O)=O
γ-aminobutyrate (GABA) is a four-carbon non-protein amino acid conserved from bacteria to plants and vertebrates. GABA was originally discovered in plants in 1949 |CITS: [Steward49]|, but interest shifted to animals when it was found that GABA occurs at high levels in the brain, as a neurotransmitter. In plants and in animals, GABA is mainly metabolized via a short pathway composed of three enzymes, called the GABA shunt because it bypasses two steps of the |FRAME: TCA|.
<atom id="4-AMINO-BUTYRATE-atom1" elementType="C" x2="0.59934" y2="-0.53974"/> <atom id="4-AMINO-BUTYRATE-atom2" elementType="C" x2="-0.60265" y2="-0.30795"/> <atom id="4-AMINO-BUTYRATE-atom3" elementType="N" x2="-1.0" y2="-0.53974"/> <atom id="4-AMINO-BUTYRATE-atom4" elementType="O" x2="0.99669" y2="-0.30795"/> <atom id="4-AMINO-BUTYRATE-atom5" elementType="C" x2="-0.2053" y2="-0.53974"/> <atom id="4-AMINO-BUTYRATE-atom6" elementType="O" x2="0.59934" y2="-1.0"/> <atom id="4-AMINO-BUTYRATE-atom7" elementType="C" x2="0.19868" y2="-0.30795"/> <bond id="4-AMINO-BUTYRATE-bond1" atomRefs="4-AMINO-BUTYRATE-atom7 4-AMINO-BUTYRATE-atom1" order="1"/> <bond id="4-AMINO-BUTYRATE-bond2" atomRefs="4-AMINO-BUTYRATE-atom6 4-AMINO-BUTYRATE-atom1" order="1"/> <bond id="4-AMINO-BUTYRATE-bond3" atomRefs="4-AMINO-BUTYRATE-atom5 4-AMINO-BUTYRATE-atom7" order="1"/> <bond id="4-AMINO-BUTYRATE-bond4" atomRefs="4-AMINO-BUTYRATE-atom4 4-AMINO-BUTYRATE-atom1" order="2"/> <bond id="4-AMINO-BUTYRATE-bond5" atomRefs="4-AMINO-BUTYRATE-atom3 4-AMINO-BUTYRATE-atom2" order="1"/> <bond id="4-AMINO-BUTYRATE-bond6" atomRefs="4-AMINO-BUTYRATE-atom2 4-AMINO-BUTYRATE-atom5" order="1"/> <formula concise="C 4 H 9 N 1 O 2" formalCharge="0"/> 103.121 C(=O)(O)CCCN butanoic acid, 4-amino-
γ-aminobutyric acid: a constituent of the potato tuber?
<atom id="CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-atom1" elementType="C" x2="-1.0" y2="0.57388"/> <atom id="CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-atom2" elementType="C" x2="-0.7732" y2="-0.48454"/> <atom id="CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-atom3" elementType="O" x2="-0.4811" y2="-0.73883"/> <atom id="CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-atom4" elementType="C" x2="-0.76289" y2="0.99656"/> <atom id="CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-atom5" elementType="O" x2="-0.04467" y2="0.75601"/> <atom id="CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-atom6" elementType="P" x2="-0.21993" y2="-0.73883"/> <atom id="CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-atom7" elementType="N" x2="-0.75945" y2="0.2921"/> <atom id="CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-atom8" elementType="C" x2="-0.7732" y2="0.08935"/> <atom id="CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-atom9" elementType="C" x2="-0.52234" y2="0.60137"/> <atom id="CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-atom10" elementType="C" x2="-0.7732" y2="-0.73883"/> <atom id="CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-atom11" elementType="O" x2="-0.51203" y2="0.08935"/> <atom id="CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-atom12" elementType="O" x2="-0.12715" y2="0.37457"/> <atom id="CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-atom13" elementType="C" x2="-0.75945" y2="0.46392"/> <atom id="CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-atom14" elementType="C" x2="-1.0" y2="0.8488"/> <atom id="CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-atom15" elementType="O" x2="-0.5189" y2="-0.48454"/> <atom id="CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-atom16" elementType="C" x2="-0.25773" y2="0.60137"/> <atom id="CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-atom17" elementType="C" x2="-0.89347" y2="0.19588"/> <atom id="CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-atom18" elementType="O" x2="-0.21993" y2="-0.47766"/> <atom id="CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-atom19" elementType="C" x2="-0.7732" y2="-0.20962"/> <atom id="CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-atom20" elementType="O" x2="-0.21993" y2="-1.0"/> <atom id="CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-atom21" elementType="O" x2="-0.5189" y2="-0.20962"/> <atom id="CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-atom22" elementType="O" x2="0.04124" y2="-0.73883"/> <atom id="CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-atom23" elementType="C" x2="-0.52234" y2="0.8488"/> <bond id="CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-bond1" atomRefs="CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-atom4 CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-atom23" order="A"/> <bond id="CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-bond2" atomRefs="CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-atom23 CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-atom9" order="A"/> <bond id="CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-bond3" atomRefs="CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-atom22 CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-atom6" order="1"/> <bond id="CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-bond4" atomRefs="CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-atom21 CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-atom19" order="1"/> <bond id="CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-bond5" atomRefs="CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-atom20 CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-atom6" order="1"/> <bond id="CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-bond6" atomRefs="CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-atom19 CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-atom2" order="1"/> <bond id="CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-bond7" atomRefs="CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-atom18 CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-atom6" order="2"/> <bond id="CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-bond8" atomRefs="CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-atom17 CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-atom8" order="1"/> <bond id="CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-bond9" atomRefs="CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-atom16 CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-atom9" order="1"/> <bond id="CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-bond10" atomRefs="CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-atom15 CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-atom2" order="1"/> <bond id="CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-bond11" atomRefs="CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-atom1 CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-atom14" order="A"/> <bond id="CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-bond12" atomRefs="CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-atom13 CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-atom7" order="1"/> <bond id="CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-bond13" atomRefs="CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-atom12 CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-atom16" order="1"/> <bond id="CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-bond14" atomRefs="CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-atom11 CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-atom8" order="2"/> <bond id="CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-bond15" atomRefs="CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-atom10 CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-atom3" order="1"/> <bond id="CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-bond16" atomRefs="CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-atom9 CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-atom13" order="A"/> <bond id="CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-bond17" atomRefs="CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-atom8 CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-atom19" order="1"/> <bond id="CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-bond18" atomRefs="CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-atom7 CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-atom17" order="1"/> <bond id="CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-bond19" atomRefs="CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-atom5 CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-atom16" order="2"/> <bond id="CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-bond20" atomRefs="CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-atom14 CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-atom4" order="A"/> <bond id="CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-bond21" atomRefs="CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-atom3 CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-atom6" order="1"/> <bond id="CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-bond22" atomRefs="CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-atom2 CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-atom10" order="1"/> <bond id="CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-bond23" atomRefs="CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-atom13 CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P-atom1" order="A"/> <formula concise="C 12 H 16 N 1 O 9 P 1" formalCharge="0"/> 349.233 C(OP(O)(O)=O)C(O)C(O)C(=O)CNc1(c(C(O)=O)cccc1)
<atom id="INDOLE-3-GLYCEROL-P-atom1" elementType="C" x2="-0.4029851" y2="0.61194026"/> <atom id="INDOLE-3-GLYCEROL-P-atom2" elementType="C" x2="-0.71268654" y2="0.19029844"/> <atom id="INDOLE-3-GLYCEROL-P-atom3" elementType="P" x2="0.08582091" y2="-0.69402987"/> <atom id="INDOLE-3-GLYCEROL-P-atom4" elementType="C" x2="-0.4029851" y2="0.35447752"/> <atom id="INDOLE-3-GLYCEROL-P-atom5" elementType="O" x2="0.67910445" y2="-0.1791045"/> <atom id="INDOLE-3-GLYCEROL-P-atom6" elementType="C" x2="0.08582091" y2="-0.1902985"/> <atom id="INDOLE-3-GLYCEROL-P-atom7" elementType="O" x2="0.6716417" y2="0.3470149"/> <atom id="INDOLE-3-GLYCEROL-P-atom8" elementType="O" x2="0.38805962" y2="-0.69402987"/> <atom id="INDOLE-3-GLYCEROL-P-atom9" elementType="O" x2="0.08582091" y2="-0.47761196"/> <atom id="INDOLE-3-GLYCEROL-P-atom10" elementType="O" x2="-0.22014928" y2="-0.69402987"/> <atom id="INDOLE-3-GLYCEROL-P-atom11" elementType="H" x2="-0.14925373" y2="0.99626863"/> <atom id="INDOLE-3-GLYCEROL-P-atom12" elementType="C" x2="0.093283534" y2="0.61194026"/> <atom id="INDOLE-3-GLYCEROL-P-atom13" elementType="C" x2="-0.71268654" y2="0.7798507"/> <atom id="INDOLE-3-GLYCEROL-P-atom14" elementType="C" x2="0.391791" y2="0.22388053"/> <atom id="INDOLE-3-GLYCEROL-P-atom15" elementType="C" x2="-1.0" y2="0.62313426"/> <atom id="INDOLE-3-GLYCEROL-P-atom16" elementType="C" x2="0.391791" y2="-0.06716418"/> <atom id="INDOLE-3-GLYCEROL-P-atom17" elementType="C" x2="-1.0" y2="0.34328353"/> <atom id="INDOLE-3-GLYCEROL-P-atom18" elementType="N" x2="-0.1529851" y2="0.75373125"/> <atom id="INDOLE-3-GLYCEROL-P-atom19" elementType="C" x2="0.093283534" y2="0.35447752"/> <atom id="INDOLE-3-GLYCEROL-P-atom20" elementType="O" x2="0.08582091" y2="-1.0"/> <bond id="INDOLE-3-GLYCEROL-P-bond1" atomRefs="INDOLE-3-GLYCEROL-P-atom19 INDOLE-3-GLYCEROL-P-atom4" order="A"/> <bond id="INDOLE-3-GLYCEROL-P-bond2" atomRefs="INDOLE-3-GLYCEROL-P-atom18 INDOLE-3-GLYCEROL-P-atom12" order="A"/> <bond id="INDOLE-3-GLYCEROL-P-bond3" atomRefs="INDOLE-3-GLYCEROL-P-atom17 INDOLE-3-GLYCEROL-P-atom15" order="A"/> <bond id="INDOLE-3-GLYCEROL-P-bond4" atomRefs="INDOLE-3-GLYCEROL-P-atom16 INDOLE-3-GLYCEROL-P-atom14" order="1"/> <bond id="INDOLE-3-GLYCEROL-P-bond5" atomRefs="INDOLE-3-GLYCEROL-P-atom15 INDOLE-3-GLYCEROL-P-atom13" order="A"/> <bond id="INDOLE-3-GLYCEROL-P-bond6" atomRefs="INDOLE-3-GLYCEROL-P-atom14 INDOLE-3-GLYCEROL-P-atom7" order="1"/> <bond id="INDOLE-3-GLYCEROL-P-bond7" atomRefs="INDOLE-3-GLYCEROL-P-atom14 INDOLE-3-GLYCEROL-P-atom19" order="1"/> <bond id="INDOLE-3-GLYCEROL-P-bond8" atomRefs="INDOLE-3-GLYCEROL-P-atom13 INDOLE-3-GLYCEROL-P-atom1" order="A"/> <bond id="INDOLE-3-GLYCEROL-P-bond9" atomRefs="INDOLE-3-GLYCEROL-P-atom12 INDOLE-3-GLYCEROL-P-atom19" order="A"/> <bond id="INDOLE-3-GLYCEROL-P-bond10" atomRefs="INDOLE-3-GLYCEROL-P-atom11 INDOLE-3-GLYCEROL-P-atom18" order="1"/> <bond id="INDOLE-3-GLYCEROL-P-bond11" atomRefs="INDOLE-3-GLYCEROL-P-atom10 INDOLE-3-GLYCEROL-P-atom3" order="1"/> <bond id="INDOLE-3-GLYCEROL-P-bond12" atomRefs="INDOLE-3-GLYCEROL-P-atom9 INDOLE-3-GLYCEROL-P-atom6" order="1"/> <bond id="INDOLE-3-GLYCEROL-P-bond13" atomRefs="INDOLE-3-GLYCEROL-P-atom6 INDOLE-3-GLYCEROL-P-atom16" order="1"/> <bond id="INDOLE-3-GLYCEROL-P-bond14" atomRefs="INDOLE-3-GLYCEROL-P-atom5 INDOLE-3-GLYCEROL-P-atom16" order="1"/> <bond id="INDOLE-3-GLYCEROL-P-bond15" atomRefs="INDOLE-3-GLYCEROL-P-atom4 INDOLE-3-GLYCEROL-P-atom2" order="A"/> <bond id="INDOLE-3-GLYCEROL-P-bond16" atomRefs="INDOLE-3-GLYCEROL-P-atom3 INDOLE-3-GLYCEROL-P-atom20" order="2"/> <bond id="INDOLE-3-GLYCEROL-P-bond17" atomRefs="INDOLE-3-GLYCEROL-P-atom3 INDOLE-3-GLYCEROL-P-atom8" order="1"/> <bond id="INDOLE-3-GLYCEROL-P-bond18" atomRefs="INDOLE-3-GLYCEROL-P-atom3 INDOLE-3-GLYCEROL-P-atom9" order="1"/> <bond id="INDOLE-3-GLYCEROL-P-bond19" atomRefs="INDOLE-3-GLYCEROL-P-atom2 INDOLE-3-GLYCEROL-P-atom17" order="A"/> <bond id="INDOLE-3-GLYCEROL-P-bond20" atomRefs="INDOLE-3-GLYCEROL-P-atom1 INDOLE-3-GLYCEROL-P-atom4" order="A"/> <bond id="INDOLE-3-GLYCEROL-P-bond21" atomRefs="INDOLE-3-GLYCEROL-P-atom1 INDOLE-3-GLYCEROL-P-atom18" order="A"/> <formula concise="C 11 H 14 N 1 O 6 P 1" formalCharge="0"/> 287.208 C(OP(=O)(O)O)C(O)C(O)c1(c2(c([nH]c1)cccc2))
<atom id="OROTIDINE-5-PHOSPHATE-atom1" elementType="O" x2="0.36601305" y2="0.748366"/> <atom id="OROTIDINE-5-PHOSPHATE-atom2" elementType="O" x2="0.996732" y2="0.14379084"/> <atom id="OROTIDINE-5-PHOSPHATE-atom3" elementType="O" x2="0.2614379" y2="-1.0"/> <atom id="OROTIDINE-5-PHOSPHATE-atom4" elementType="O" x2="-1.0" y2="-0.43790847"/> <atom id="OROTIDINE-5-PHOSPHATE-atom5" elementType="H" x2="0.2614379" y2="-0.6993464"/> <atom id="OROTIDINE-5-PHOSPHATE-atom6" elementType="C" x2="0.57843137" y2="0.38562095"/> <atom id="OROTIDINE-5-PHOSPHATE-atom7" elementType="C" x2="0.36601305" y2="0.496732"/> <atom id="OROTIDINE-5-PHOSPHATE-atom8" elementType="O" x2="-0.751634" y2="-0.6797385"/> <atom id="OROTIDINE-5-PHOSPHATE-atom9" elementType="H" x2="-0.2647059" y2="-0.745098"/> <atom id="OROTIDINE-5-PHOSPHATE-atom10" elementType="C" x2="0.7843138" y2="0.022875786"/> <atom id="OROTIDINE-5-PHOSPHATE-atom11" elementType="H" x2="-0.14379084" y2="-0.6993464"/> <atom id="OROTIDINE-5-PHOSPHATE-atom12" elementType="C" x2="0.2614379" y2="-0.8496732"/> <atom id="OROTIDINE-5-PHOSPHATE-atom13" elementType="N" x2="0.38235295" y2="0.0"/> <atom id="OROTIDINE-5-PHOSPHATE-atom14" elementType="C" x2="0.16013074" y2="0.14379084"/> <atom id="OROTIDINE-5-PHOSPHATE-atom15" elementType="P" x2="-0.751634" y2="-0.43790847"/> <atom id="OROTIDINE-5-PHOSPHATE-atom16" elementType="C" x2="-0.2647059" y2="-0.43790847"/> <atom id="OROTIDINE-5-PHOSPHATE-atom17" elementType="N" x2="0.16013074" y2="0.37254906"/> <atom id="OROTIDINE-5-PHOSPHATE-atom18" elementType="H" x2="-0.058823526" y2="0.46405232"/> <atom id="OROTIDINE-5-PHOSPHATE-atom19" elementType="O" x2="-0.51960784" y2="-0.43790847"/> <atom id="OROTIDINE-5-PHOSPHATE-atom20" elementType="O" x2="-0.032679737" y2="-0.0065359473"/> <atom id="OROTIDINE-5-PHOSPHATE-atom21" elementType="C" x2="0.57843137" y2="0.14379084"/> <atom id="OROTIDINE-5-PHOSPHATE-atom22" elementType="C" x2="0.38235295" y2="-0.5588235"/> <atom id="OROTIDINE-5-PHOSPHATE-atom23" elementType="C" x2="-0.2647059" y2="-0.59477127"/> <atom id="OROTIDINE-5-PHOSPHATE-atom24" elementType="C" x2="-0.14379084" y2="-0.8496732"/> <atom id="OROTIDINE-5-PHOSPHATE-atom25" elementType="O" x2="-0.751634" y2="-0.18300653"/> <atom id="OROTIDINE-5-PHOSPHATE-atom26" elementType="O" x2="0.7843138" y2="-0.22222221"/> <atom id="OROTIDINE-5-PHOSPHATE-atom27" elementType="O" x2="-0.14379084" y2="-1.0"/> <atom id="OROTIDINE-5-PHOSPHATE-atom28" elementType="O" x2="0.06535947" y2="-0.41176468"/> <atom id="OROTIDINE-5-PHOSPHATE-atom29" elementType="H" x2="0.38235295" y2="-0.7058823"/> <bond id="OROTIDINE-5-PHOSPHATE-bond1" atomRefs="OROTIDINE-5-PHOSPHATE-atom29 OROTIDINE-5-PHOSPHATE-atom22" order="1"/> <bond id="OROTIDINE-5-PHOSPHATE-bond2" atomRefs="OROTIDINE-5-PHOSPHATE-atom28 OROTIDINE-5-PHOSPHATE-atom22" order="1"/> <bond id="OROTIDINE-5-PHOSPHATE-bond3" atomRefs="OROTIDINE-5-PHOSPHATE-atom27 OROTIDINE-5-PHOSPHATE-atom24" order="1"/> <bond id="OROTIDINE-5-PHOSPHATE-bond4" atomRefs="OROTIDINE-5-PHOSPHATE-atom26 OROTIDINE-5-PHOSPHATE-atom10" order="1"/> <bond id="OROTIDINE-5-PHOSPHATE-bond5" atomRefs="OROTIDINE-5-PHOSPHATE-atom25 OROTIDINE-5-PHOSPHATE-atom15" order="2"/> <bond id="OROTIDINE-5-PHOSPHATE-bond6" atomRefs="OROTIDINE-5-PHOSPHATE-atom24 OROTIDINE-5-PHOSPHATE-atom12" order="1"/> <bond id="OROTIDINE-5-PHOSPHATE-bond7" atomRefs="OROTIDINE-5-PHOSPHATE-atom23 OROTIDINE-5-PHOSPHATE-atom28" order="1"/> <bond id="OROTIDINE-5-PHOSPHATE-bond8" atomRefs="OROTIDINE-5-PHOSPHATE-atom23 OROTIDINE-5-PHOSPHATE-atom24" order="1"/> <bond id="OROTIDINE-5-PHOSPHATE-bond9" atomRefs="OROTIDINE-5-PHOSPHATE-atom22 OROTIDINE-5-PHOSPHATE-atom13" order="1"/> <bond id="OROTIDINE-5-PHOSPHATE-bond10" atomRefs="OROTIDINE-5-PHOSPHATE-atom22 OROTIDINE-5-PHOSPHATE-atom12" order="1"/> <bond id="OROTIDINE-5-PHOSPHATE-bond11" atomRefs="OROTIDINE-5-PHOSPHATE-atom21 OROTIDINE-5-PHOSPHATE-atom13" order="A"/> <bond id="OROTIDINE-5-PHOSPHATE-bond12" atomRefs="OROTIDINE-5-PHOSPHATE-atom20 OROTIDINE-5-PHOSPHATE-atom14" order="2"/> <bond id="OROTIDINE-5-PHOSPHATE-bond13" atomRefs="OROTIDINE-5-PHOSPHATE-atom19 OROTIDINE-5-PHOSPHATE-atom16" order="1"/> <bond id="OROTIDINE-5-PHOSPHATE-bond14" atomRefs="OROTIDINE-5-PHOSPHATE-atom18 OROTIDINE-5-PHOSPHATE-atom17" order="1"/> <bond id="OROTIDINE-5-PHOSPHATE-bond15" atomRefs="OROTIDINE-5-PHOSPHATE-atom17 OROTIDINE-5-PHOSPHATE-atom7" order="A"/> <bond id="OROTIDINE-5-PHOSPHATE-bond16" atomRefs="OROTIDINE-5-PHOSPHATE-atom16 OROTIDINE-5-PHOSPHATE-atom23" order="1"/> <bond id="OROTIDINE-5-PHOSPHATE-bond17" atomRefs="OROTIDINE-5-PHOSPHATE-atom15 OROTIDINE-5-PHOSPHATE-atom19" order="1"/> <bond id="OROTIDINE-5-PHOSPHATE-bond18" atomRefs="OROTIDINE-5-PHOSPHATE-atom14 OROTIDINE-5-PHOSPHATE-atom17" order="A"/> <bond id="OROTIDINE-5-PHOSPHATE-bond19" atomRefs="OROTIDINE-5-PHOSPHATE-atom13 OROTIDINE-5-PHOSPHATE-atom14" order="A"/> <bond id="OROTIDINE-5-PHOSPHATE-bond20" atomRefs="OROTIDINE-5-PHOSPHATE-atom11 OROTIDINE-5-PHOSPHATE-atom24" order="1"/> <bond id="OROTIDINE-5-PHOSPHATE-bond21" atomRefs="OROTIDINE-5-PHOSPHATE-atom10 OROTIDINE-5-PHOSPHATE-atom21" order="1"/> <bond id="OROTIDINE-5-PHOSPHATE-bond22" atomRefs="OROTIDINE-5-PHOSPHATE-atom9 OROTIDINE-5-PHOSPHATE-atom23" order="1"/> <bond id="OROTIDINE-5-PHOSPHATE-bond23" atomRefs="OROTIDINE-5-PHOSPHATE-atom8 OROTIDINE-5-PHOSPHATE-atom15" order="1"/> <bond id="OROTIDINE-5-PHOSPHATE-bond24" atomRefs="OROTIDINE-5-PHOSPHATE-atom7 OROTIDINE-5-PHOSPHATE-atom6" order="A"/> <bond id="OROTIDINE-5-PHOSPHATE-bond25" atomRefs="OROTIDINE-5-PHOSPHATE-atom6 OROTIDINE-5-PHOSPHATE-atom21" order="A"/> <bond id="OROTIDINE-5-PHOSPHATE-bond26" atomRefs="OROTIDINE-5-PHOSPHATE-atom5 OROTIDINE-5-PHOSPHATE-atom12" order="1"/> <bond id="OROTIDINE-5-PHOSPHATE-bond27" atomRefs="OROTIDINE-5-PHOSPHATE-atom4 OROTIDINE-5-PHOSPHATE-atom15" order="1"/> <bond id="OROTIDINE-5-PHOSPHATE-bond28" atomRefs="OROTIDINE-5-PHOSPHATE-atom3 OROTIDINE-5-PHOSPHATE-atom12" order="1"/> <bond id="OROTIDINE-5-PHOSPHATE-bond29" atomRefs="OROTIDINE-5-PHOSPHATE-atom2 OROTIDINE-5-PHOSPHATE-atom10" order="2"/> <bond id="OROTIDINE-5-PHOSPHATE-bond30" atomRefs="OROTIDINE-5-PHOSPHATE-atom1 OROTIDINE-5-PHOSPHATE-atom7" order="2"/> <formula concise="C 10 H 13 N 2 O 11 P 1" formalCharge="0"/> 368.193 c1(=O)([nH]c(=O)n(c(c1)C(O)=O)[CH]2(O[CH]([CH](O)[CH]2O)COP(O)(=O)O)) Orotidylic acid
<cml> <molecule id="L-1-PHOSPHATIDYL-SERINE" title="an L-1-phosphatidylserine" dictRef="dictL-1-PHOSPHATIDYL-SERINE"> <atomArray> <atom id="L-1-PHOSPHATIDYL-SERINE-atom1" elementType="O" x2="-1.0" y2="-0.72652"/> <atom id="L-1-PHOSPHATIDYL-SERINE-atom2" elementType="O" x2="0.0313" y2="-0.72652"/> <atom id="L-1-PHOSPHATIDYL-SERINE-atom3" elementType="O" x2="-0.1631" y2="-0.54201"/> <atom id="L-1-PHOSPHATIDYL-SERINE-atom4" elementType="C" x2="0.51236" y2="-0.81549"/> <atom id="L-1-PHOSPHATIDYL-SERINE-atom5" elementType="O" x2="-0.84185" y2="-0.44646"/> <atom id="L-1-PHOSPHATIDYL-SERINE-atom6" elementType="P" x2="-0.1631" y2="-0.72652"/> <atom id="L-1-PHOSPHATIDYL-SERINE-atom7" elementType="C" x2="-0.53871" y2="-0.63097"/> <atom id="L-1-PHOSPHATIDYL-SERINE-atom8" elementType="C" x2="-0.69357" y2="-0.72323"/> <atom id="L-1-PHOSPHATIDYL-SERINE-atom9" elementType="C" x2="0.47282" y2="-0.46952"/> <atom id="L-1-PHOSPHATIDYL-SERINE-atom10" elementType="O" x2="0.3542" y2="-0.56178"/> <atom id="L-1-PHOSPHATIDYL-SERINE-atom11" elementType="O" x2="0.6771" y2="-0.72652"/> <atom id="L-1-PHOSPHATIDYL-SERINE-atom12" elementType="O" x2="-0.1631" y2="-0.91104"/> <atom id="L-1-PHOSPHATIDYL-SERINE-atom13" elementType="O" x2="-0.33443" y2="-0.72652"/> <atom id="L-1-PHOSPHATIDYL-SERINE-atom14" elementType="R" x2="0.99671" y2="-0.72652"/> <atom id="L-1-PHOSPHATIDYL-SERINE-atom15" elementType="C" x2="0.83526" y2="-0.81549"/> <atom id="L-1-PHOSPHATIDYL-SERINE-atom16" elementType="O" x2="0.83526" y2="-1.0"/> <atom id="L-1-PHOSPHATIDYL-SERINE-atom17" elementType="O" x2="0.65733" y2="-0.46952"/> <atom id="L-1-PHOSPHATIDYL-SERINE-atom18" elementType="C" x2="-0.84185" y2="-0.63097"/> <atom id="L-1-PHOSPHATIDYL-SERINE-atom19" elementType="C" x2="0.3542" y2="-0.72652"/> <atom id="L-1-PHOSPHATIDYL-SERINE-atom20" elementType="R" x2="0.32125" y2="-0.36738"/> <atom id="L-1-PHOSPHATIDYL-SERINE-atom21" elementType="C" x2="0.19275" y2="-0.81549"/> <atom id="L-1-PHOSPHATIDYL-SERINE-atom22" elementType="N" x2="-0.69357" y2="-0.90774"/> </atomArray> <bondArray> <bond id="L-1-PHOSPHATIDYL-SERINE-bond1" atomRefs="L-1-PHOSPHATIDYL-SERINE-atom22 L-1-PHOSPHATIDYL-SERINE-atom8" order="1"/> <bond id="L-1-PHOSPHATIDYL-SERINE-bond2" atomRefs="L-1-PHOSPHATIDYL-SERINE-atom21 L-1-PHOSPHATIDYL-SERINE-atom2" order="1"/> <bond id="L-1-PHOSPHATIDYL-SERINE-bond3" atomRefs="L-1-PHOSPHATIDYL-SERINE-atom20 L-1-PHOSPHATIDYL-SERINE-atom9" order="1"/> <bond id="L-1-PHOSPHATIDYL-SERINE-bond4" atomRefs="L-1-PHOSPHATIDYL-SERINE-atom19 L-1-PHOSPHATIDYL-SERINE-atom21" order="1"/> <bond id="L-1-PHOSPHATIDYL-SERINE-bond5" atomRefs="L-1-PHOSPHATIDYL-SERINE-atom18 L-1-PHOSPHATIDYL-SERINE-atom8" order="1"/> <bond id="L-1-PHOSPHATIDYL-SERINE-bond6" atomRefs="L-1-PHOSPHATIDYL-SERINE-atom17 L-1-PHOSPHATIDYL-SERINE-atom9" order="2"/> <bond id="L-1-PHOSPHATIDYL-SERINE-bond7" atomRefs="L-1-PHOSPHATIDYL-SERINE-atom16 L-1-PHOSPHATIDYL-SERINE-atom15" order="2"/> <bond id="L-1-PHOSPHATIDYL-SERINE-bond8" atomRefs="L-1-PHOSPHATIDYL-SERINE-atom15 L-1-PHOSPHATIDYL-SERINE-atom11" order="1"/> <bond id="L-1-PHOSPHATIDYL-SERINE-bond9" atomRefs="L-1-PHOSPHATIDYL-SERINE-atom14 L-1-PHOSPHATIDYL-SERINE-atom15" order="1"/> <bond id="L-1-PHOSPHATIDYL-SERINE-bond10" atomRefs="L-1-PHOSPHATIDYL-SERINE-atom13 L-1-PHOSPHATIDYL-SERINE-atom6" order="1"/> <bond id="L-1-PHOSPHATIDYL-SERINE-bond11" atomRefs="L-1-PHOSPHATIDYL-SERINE-atom12 L-1-PHOSPHATIDYL-SERINE-atom6" order="1"/> <bond id="L-1-PHOSPHATIDYL-SERINE-bond12" atomRefs="L-1-PHOSPHATIDYL-SERINE-atom11 L-1-PHOSPHATIDYL-SERINE-atom4" order="1"/> <bond id="L-1-PHOSPHATIDYL-SERINE-bond13" atomRefs="L-1-PHOSPHATIDYL-SERINE-atom10 L-1-PHOSPHATIDYL-SERINE-atom19" order="1"/> <bond id="L-1-PHOSPHATIDYL-SERINE-bond14" atomRefs="L-1-PHOSPHATIDYL-SERINE-atom9 L-1-PHOSPHATIDYL-SERINE-atom10" order="1"/> <bond id="L-1-PHOSPHATIDYL-SERINE-bond15" atomRefs="L-1-PHOSPHATIDYL-SERINE-atom8 L-1-PHOSPHATIDYL-SERINE-atom7" order="1"/> <bond id="L-1-PHOSPHATIDYL-SERINE-bond16" atomRefs="L-1-PHOSPHATIDYL-SERINE-atom7 L-1-PHOSPHATIDYL-SERINE-atom13" order="1"/> <bond id="L-1-PHOSPHATIDYL-SERINE-bond17" atomRefs="L-1-PHOSPHATIDYL-SERINE-atom5 L-1-PHOSPHATIDYL-SERINE-atom18" order="2"/> <bond id="L-1-PHOSPHATIDYL-SERINE-bond18" atomRefs="L-1-PHOSPHATIDYL-SERINE-atom4 L-1-PHOSPHATIDYL-SERINE-atom19" order="1"/> <bond id="L-1-PHOSPHATIDYL-SERINE-bond19" atomRefs="L-1-PHOSPHATIDYL-SERINE-atom3 L-1-PHOSPHATIDYL-SERINE-atom6" order="2"/> <bond id="L-1-PHOSPHATIDYL-SERINE-bond20" atomRefs="L-1-PHOSPHATIDYL-SERINE-atom2 L-1-PHOSPHATIDYL-SERINE-atom6" order="1"/> <bond id="L-1-PHOSPHATIDYL-SERINE-bond21" atomRefs="L-1-PHOSPHATIDYL-SERINE-atom1 L-1-PHOSPHATIDYL-SERINE-atom18" order="1"/> </bondArray> <formula concise="C 8 H 12 N 1 O 10 R 2 P 1" formalCharge="0"/> </molecule> </cml>
<cml> <molecule id="L-1-PHOSPHATIDYL-ETHANOLAMINE" title="an L-1-phosphatidyl-ethanolamine" dictRef="dictL-1-PHOSPHATIDYL-ETHANOLAMINE"> <atomArray> <atom id="L-1-PHOSPHATIDYL-ETHANOLAMINE-atom1" elementType="O" x2="0.79743" y2="-1.0"/> <atom id="L-1-PHOSPHATIDYL-ETHANOLAMINE-atom2" elementType="O" x2="0.62379" y2="-0.62058"/> <atom id="L-1-PHOSPHATIDYL-ETHANOLAMINE-atom3" elementType="O" x2="-0.23473" y2="-0.86817"/> <atom id="L-1-PHOSPHATIDYL-ETHANOLAMINE-atom4" elementType="P" x2="-0.23473" y2="-0.61415"/> <atom id="L-1-PHOSPHATIDYL-ETHANOLAMINE-atom5" elementType="O" x2="0.32476" y2="-0.07395"/> <atom id="L-1-PHOSPHATIDYL-ETHANOLAMINE-atom6" elementType="O" x2="0.03215" y2="-0.61415"/> <atom id="L-1-PHOSPHATIDYL-ETHANOLAMINE-atom7" elementType="C" x2="0.09968" y2="0.05466"/> <atom id="L-1-PHOSPHATIDYL-ETHANOLAMINE-atom8" elementType="C" x2="0.03215" y2="-0.34084"/> <atom id="L-1-PHOSPHATIDYL-ETHANOLAMINE-atom9" elementType="R" x2="-0.12862" y2="-0.06109"/> <atom id="L-1-PHOSPHATIDYL-ETHANOLAMINE-atom10" elementType="C" x2="-0.63666" y2="-0.45981"/> <atom id="L-1-PHOSPHATIDYL-ETHANOLAMINE-atom11" elementType="O" x2="0.09968" y2="0.30868"/> <atom id="L-1-PHOSPHATIDYL-ETHANOLAMINE-atom12" elementType="C" x2="-0.81672" y2="-0.63987"/> <atom id="L-1-PHOSPHATIDYL-ETHANOLAMINE-atom13" elementType="C" x2="0.79743" y2="-0.74598"/> <atom id="L-1-PHOSPHATIDYL-ETHANOLAMINE-atom14" elementType="C" x2="0.32476" y2="-0.34084"/> <atom id="L-1-PHOSPHATIDYL-ETHANOLAMINE-atom15" elementType="O" x2="-0.4791" y2="-0.61415"/> <atom id="L-1-PHOSPHATIDYL-ETHANOLAMINE-atom16" elementType="O" x2="-0.23473" y2="-0.36013"/> <atom id="L-1-PHOSPHATIDYL-ETHANOLAMINE-atom17" elementType="C" x2="0.62379" y2="-0.34084"/> <atom id="L-1-PHOSPHATIDYL-ETHANOLAMINE-atom18" elementType="N" x2="-1.0" y2="-0.46624"/> <atom id="L-1-PHOSPHATIDYL-ETHANOLAMINE-atom19" elementType="R" x2="0.99678" y2="-0.59164"/> </atomArray> <bondArray> <bond id="L-1-PHOSPHATIDYL-ETHANOLAMINE-bond1" atomRefs="L-1-PHOSPHATIDYL-ETHANOLAMINE-atom19 L-1-PHOSPHATIDYL-ETHANOLAMINE-atom13" order="1"/> <bond id="L-1-PHOSPHATIDYL-ETHANOLAMINE-bond2" atomRefs="L-1-PHOSPHATIDYL-ETHANOLAMINE-atom18 L-1-PHOSPHATIDYL-ETHANOLAMINE-atom12" order="1"/> <bond id="L-1-PHOSPHATIDYL-ETHANOLAMINE-bond3" atomRefs="L-1-PHOSPHATIDYL-ETHANOLAMINE-atom17 L-1-PHOSPHATIDYL-ETHANOLAMINE-atom14" order="1"/> <bond id="L-1-PHOSPHATIDYL-ETHANOLAMINE-bond4" atomRefs="L-1-PHOSPHATIDYL-ETHANOLAMINE-atom16 L-1-PHOSPHATIDYL-ETHANOLAMINE-atom4" order="2"/> <bond id="L-1-PHOSPHATIDYL-ETHANOLAMINE-bond5" atomRefs="L-1-PHOSPHATIDYL-ETHANOLAMINE-atom15 L-1-PHOSPHATIDYL-ETHANOLAMINE-atom4" order="1"/> <bond id="L-1-PHOSPHATIDYL-ETHANOLAMINE-bond6" atomRefs="L-1-PHOSPHATIDYL-ETHANOLAMINE-atom14 L-1-PHOSPHATIDYL-ETHANOLAMINE-atom8" order="1"/> <bond id="L-1-PHOSPHATIDYL-ETHANOLAMINE-bond7" atomRefs="L-1-PHOSPHATIDYL-ETHANOLAMINE-atom13 L-1-PHOSPHATIDYL-ETHANOLAMINE-atom2" order="1"/> <bond id="L-1-PHOSPHATIDYL-ETHANOLAMINE-bond8" atomRefs="L-1-PHOSPHATIDYL-ETHANOLAMINE-atom12 L-1-PHOSPHATIDYL-ETHANOLAMINE-atom10" order="1"/> <bond id="L-1-PHOSPHATIDYL-ETHANOLAMINE-bond9" atomRefs="L-1-PHOSPHATIDYL-ETHANOLAMINE-atom11 L-1-PHOSPHATIDYL-ETHANOLAMINE-atom7" order="2"/> <bond id="L-1-PHOSPHATIDYL-ETHANOLAMINE-bond10" atomRefs="L-1-PHOSPHATIDYL-ETHANOLAMINE-atom10 L-1-PHOSPHATIDYL-ETHANOLAMINE-atom15" order="1"/> <bond id="L-1-PHOSPHATIDYL-ETHANOLAMINE-bond11" atomRefs="L-1-PHOSPHATIDYL-ETHANOLAMINE-atom9 L-1-PHOSPHATIDYL-ETHANOLAMINE-atom7" order="1"/> <bond id="L-1-PHOSPHATIDYL-ETHANOLAMINE-bond12" atomRefs="L-1-PHOSPHATIDYL-ETHANOLAMINE-atom8 L-1-PHOSPHATIDYL-ETHANOLAMINE-atom6" order="1"/> <bond id="L-1-PHOSPHATIDYL-ETHANOLAMINE-bond13" atomRefs="L-1-PHOSPHATIDYL-ETHANOLAMINE-atom7 L-1-PHOSPHATIDYL-ETHANOLAMINE-atom5" order="1"/> <bond id="L-1-PHOSPHATIDYL-ETHANOLAMINE-bond14" atomRefs="L-1-PHOSPHATIDYL-ETHANOLAMINE-atom6 L-1-PHOSPHATIDYL-ETHANOLAMINE-atom4" order="1"/> <bond id="L-1-PHOSPHATIDYL-ETHANOLAMINE-bond15" atomRefs="L-1-PHOSPHATIDYL-ETHANOLAMINE-atom5 L-1-PHOSPHATIDYL-ETHANOLAMINE-atom14" order="1"/> <bond id="L-1-PHOSPHATIDYL-ETHANOLAMINE-bond16" atomRefs="L-1-PHOSPHATIDYL-ETHANOLAMINE-atom3 L-1-PHOSPHATIDYL-ETHANOLAMINE-atom4" order="1"/> <bond id="L-1-PHOSPHATIDYL-ETHANOLAMINE-bond17" atomRefs="L-1-PHOSPHATIDYL-ETHANOLAMINE-atom2 L-1-PHOSPHATIDYL-ETHANOLAMINE-atom17" order="1"/> <bond id="L-1-PHOSPHATIDYL-ETHANOLAMINE-bond18" atomRefs="L-1-PHOSPHATIDYL-ETHANOLAMINE-atom1 L-1-PHOSPHATIDYL-ETHANOLAMINE-atom13" order="2"/> </bondArray> <formula concise="C 7 H 12 N 1 O 8 R 2 P 1" formalCharge="0"/> </molecule> </cml>
<atom id="UROPORPHYRINOGEN-III-atom1" elementType="C" x2="1.7047" y2="-0.0239"/> <atom id="UROPORPHYRINOGEN-III-atom2" elementType="C" x2="0.8399" y2="0.9929"/> <atom id="UROPORPHYRINOGEN-III-atom3" elementType="C" x2="1.6028" y2="1.307"/> <atom id="UROPORPHYRINOGEN-III-atom4" elementType="C" x2="2.1372" y2="0.6786"/> <atom id="UROPORPHYRINOGEN-III-atom5" elementType="C" x2="-1.903" y2="0.7977"/> <atom id="UROPORPHYRINOGEN-III-atom6" elementType="C" x2="-1.3324" y2="1.3935"/> <atom id="UROPORPHYRINOGEN-III-atom7" elementType="C" x2="-0.5894" y2="1.035"/> <atom id="UROPORPHYRINOGEN-III-atom8" elementType="C" x2="-1.5126" y2="0.0709"/> <atom id="UROPORPHYRINOGEN-III-atom9" elementType="C" x2="0.1374" y2="1.4254"/> <atom id="UROPORPHYRINOGEN-III-atom10" elementType="C" x2="-1.5462" y2="-1.4915"/> <atom id="UROPORPHYRINOGEN-III-atom11" elementType="C" x2="-0.6655" y2="-2.4945"/> <atom id="UROPORPHYRINOGEN-III-atom12" elementType="C" x2="-1.4233" y2="-2.8206"/> <atom id="UROPORPHYRINOGEN-III-atom13" elementType="C" x2="-1.9676" y2="-2.2008"/> <atom id="UROPORPHYRINOGEN-III-atom14" elementType="C" x2="2.074" y2="-2.2559"/> <atom id="UROPORPHYRINOGEN-III-atom15" elementType="C" x2="1.5129" y2="-2.8607"/> <atom id="UROPORPHYRINOGEN-III-atom16" elementType="C" x2="0.7643" y2="-2.514"/> <atom id="UROPORPHYRINOGEN-III-atom17" elementType="C" x2="1.6721" y2="-1.5354"/> <atom id="UROPORPHYRINOGEN-III-atom18" elementType="C" x2="0.0438" y2="-2.9159"/> <atom id="UROPORPHYRINOGEN-III-atom19" elementType="C" x2="2.0188" y2="-0.7868"/> <atom id="UROPORPHYRINOGEN-III-atom20" elementType="C" x2="-1.8711" y2="-0.6722"/> <atom id="UROPORPHYRINOGEN-III-atom21" elementType="C" x2="2.8931" y2="-2.3543"/> <atom id="UROPORPHYRINOGEN-III-atom22" elementType="C" x2="-1.6048" y2="-3.6254"/> <atom id="UROPORPHYRINOGEN-III-atom23" elementType="C" x2="-1.4791" y2="2.2054"/> <atom id="UROPORPHYRINOGEN-III-atom24" elementType="C" x2="-2.2555" y2="2.4843"/> <atom id="UROPORPHYRINOGEN-III-atom25" elementType="C" x2="-2.4022" y2="3.2961"/> <atom id="UROPORPHYRINOGEN-III-atom26" elementType="C" x2="1.797" y2="2.1088"/> <atom id="UROPORPHYRINOGEN-III-atom27" elementType="C" x2="2.5886" y2="2.3415"/> <atom id="UROPORPHYRINOGEN-III-atom28" elementType="C" x2="2.7828" y2="3.1433"/> <atom id="UROPORPHYRINOGEN-III-atom29" elementType="N" x2="-0.7007" y2="0.2176"/> <atom id="UROPORPHYRINOGEN-III-atom30" elementType="N" x2="-0.7415" y2="-1.6731"/> <atom id="UROPORPHYRINOGEN-III-atom31" elementType="N" x2="0.8627" y2="-1.6949"/> <atom id="UROPORPHYRINOGEN-III-atom32" elementType="N" x2="0.9029" y2="0.1704"/> <atom id="UROPORPHYRINOGEN-III-atom33" elementType="O" x2="-1.7725" y2="3.8291"/> <atom id="UROPORPHYRINOGEN-III-atom34" elementType="O" x2="-3.1787" y2="3.575"/> <atom id="UROPORPHYRINOGEN-III-atom35" elementType="O" x2="2.1856" y2="3.7124"/> <atom id="UROPORPHYRINOGEN-III-atom36" elementType="O" x2="3.5743" y2="3.3759"/> <atom id="UROPORPHYRINOGEN-III-atom37" elementType="C" x2="3.2174" y2="-3.1129"/> <atom id="UROPORPHYRINOGEN-III-atom38" elementType="C" x2="-2.4298" y2="-3.6254"/> <atom id="UROPORPHYRINOGEN-III-atom39" elementType="C" x2="-2.8423" y2="-4.3399"/> <atom id="UROPORPHYRINOGEN-III-atom40" elementType="C" x2="4.0365" y2="-3.2113"/> <atom id="UROPORPHYRINOGEN-III-atom41" elementType="C" x2="1.6724" y2="-3.6702"/> <atom id="UROPORPHYRINOGEN-III-atom42" elementType="C" x2="2.4531" y2="-3.9368"/> <atom id="UROPORPHYRINOGEN-III-atom43" elementType="C" x2="-2.7204" y2="0.909"/> <atom id="UROPORPHYRINOGEN-III-atom44" elementType="C" x2="-2.7891" y2="-2.2768"/> <atom id="UROPORPHYRINOGEN-III-atom45" elementType="C" x2="-3.134" y2="-3.0262"/> <atom id="UROPORPHYRINOGEN-III-atom46" elementType="O" x2="-2.6575" y2="-3.6997"/> <atom id="UROPORPHYRINOGEN-III-atom47" elementType="O" x2="-3.9555" y2="-3.1022"/> <atom id="UROPORPHYRINOGEN-III-atom48" elementType="O" x2="-2.4298" y2="-5.0543"/> <atom id="UROPORPHYRINOGEN-III-atom49" elementType="O" x2="-3.6673" y2="-4.3399"/> <atom id="UROPORPHYRINOGEN-III-atom50" elementType="O" x2="2.6126" y2="-4.7462"/> <atom id="UROPORPHYRINOGEN-III-atom51" elementType="O" x2="3.0744" y2="-3.394"/> <atom id="UROPORPHYRINOGEN-III-atom52" elementType="O" x2="4.3608" y2="-3.9699"/> <atom id="UROPORPHYRINOGEN-III-atom53" elementType="O" x2="4.5313" y2="-2.5512"/> <atom id="UROPORPHYRINOGEN-III-atom54" elementType="C" x2="2.9598" y2="0.7416"/> <atom id="UROPORPHYRINOGEN-III-atom55" elementType="C" x2="3.3165" y2="1.4855"/> <atom id="UROPORPHYRINOGEN-III-atom56" elementType="O" x2="2.8507" y2="2.1664"/> <atom id="UROPORPHYRINOGEN-III-atom57" elementType="O" x2="4.1391" y2="1.5485"/> <atom id="UROPORPHYRINOGEN-III-atom58" elementType="C" x2="-3.0327" y2="1.6726"/> <atom id="UROPORPHYRINOGEN-III-atom59" elementType="O" x2="-3.8502" y2="1.7839"/> <atom id="UROPORPHYRINOGEN-III-atom60" elementType="O" x2="-2.5276" y2="2.3249"/> <bond id="UROPORPHYRINOGEN-III-bond1" atomRefs="UROPORPHYRINOGEN-III-atom58 UROPORPHYRINOGEN-III-atom59" order="2"/> <bond id="UROPORPHYRINOGEN-III-bond2" atomRefs="UROPORPHYRINOGEN-III-atom58 UROPORPHYRINOGEN-III-atom60" order="1"/> <bond id="UROPORPHYRINOGEN-III-bond3" atomRefs="UROPORPHYRINOGEN-III-atom43 UROPORPHYRINOGEN-III-atom58" order="1"/> <bond id="UROPORPHYRINOGEN-III-bond4" atomRefs="UROPORPHYRINOGEN-III-atom55 UROPORPHYRINOGEN-III-atom56" order="1"/> <bond id="UROPORPHYRINOGEN-III-bond5" atomRefs="UROPORPHYRINOGEN-III-atom55 UROPORPHYRINOGEN-III-atom57" order="2"/> <bond id="UROPORPHYRINOGEN-III-bond6" atomRefs="UROPORPHYRINOGEN-III-atom54 UROPORPHYRINOGEN-III-atom55" order="1"/> <bond id="UROPORPHYRINOGEN-III-bond7" atomRefs="UROPORPHYRINOGEN-III-atom45 UROPORPHYRINOGEN-III-atom46" order="1"/> <bond id="UROPORPHYRINOGEN-III-bond8" atomRefs="UROPORPHYRINOGEN-III-atom45 UROPORPHYRINOGEN-III-atom47" order="2"/> <bond id="UROPORPHYRINOGEN-III-bond9" 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id="COPROPORPHYRINOGEN_III-bond33" atomRefs="COPROPORPHYRINOGEN_III-atom12 COPROPORPHYRINOGEN_III-atom32" order="1"/> <bond id="COPROPORPHYRINOGEN_III-bond34" atomRefs="COPROPORPHYRINOGEN_III-atom11 COPROPORPHYRINOGEN_III-atom31" order="1"/> <bond id="COPROPORPHYRINOGEN_III-bond35" atomRefs="COPROPORPHYRINOGEN_III-atom10 COPROPORPHYRINOGEN_III-atom29" order="1"/> <bond id="COPROPORPHYRINOGEN_III-bond36" atomRefs="COPROPORPHYRINOGEN_III-atom10 COPROPORPHYRINOGEN_III-atom12" order="1"/> <bond id="COPROPORPHYRINOGEN_III-bond37" atomRefs="COPROPORPHYRINOGEN_III-atom9 COPROPORPHYRINOGEN_III-atom25" order="1"/> <bond id="COPROPORPHYRINOGEN_III-bond38" atomRefs="COPROPORPHYRINOGEN_III-atom9 COPROPORPHYRINOGEN_III-atom11" order="1"/> <bond id="COPROPORPHYRINOGEN_III-bond39" atomRefs="COPROPORPHYRINOGEN_III-atom8 COPROPORPHYRINOGEN_III-atom22" order="1"/> <bond id="COPROPORPHYRINOGEN_III-bond40" atomRefs="COPROPORPHYRINOGEN_III-atom8 COPROPORPHYRINOGEN_III-atom20" order="1"/> <bond id="COPROPORPHYRINOGEN_III-bond41" atomRefs="COPROPORPHYRINOGEN_III-atom7 COPROPORPHYRINOGEN_III-atom23" order="1"/> <bond id="COPROPORPHYRINOGEN_III-bond42" atomRefs="COPROPORPHYRINOGEN_III-atom7 COPROPORPHYRINOGEN_III-atom19" order="1"/> <bond id="COPROPORPHYRINOGEN_III-bond43" atomRefs="COPROPORPHYRINOGEN_III-atom6 COPROPORPHYRINOGEN_III-atom21" order="1"/> <bond id="COPROPORPHYRINOGEN_III-bond44" atomRefs="COPROPORPHYRINOGEN_III-atom6 COPROPORPHYRINOGEN_III-atom18" order="1"/> <bond id="COPROPORPHYRINOGEN_III-bond45" atomRefs="COPROPORPHYRINOGEN_III-atom5 COPROPORPHYRINOGEN_III-atom24" order="1"/> <bond id="COPROPORPHYRINOGEN_III-bond46" atomRefs="COPROPORPHYRINOGEN_III-atom5 COPROPORPHYRINOGEN_III-atom17" order="1"/> <bond id="COPROPORPHYRINOGEN_III-bond47" atomRefs="COPROPORPHYRINOGEN_III-atom42 COPROPORPHYRINOGEN_III-atom14" order="1"/> <bond id="COPROPORPHYRINOGEN_III-bond48" atomRefs="COPROPORPHYRINOGEN_III-atom41 COPROPORPHYRINOGEN_III-atom13" order="1"/> <bond id="COPROPORPHYRINOGEN_III-bond49" atomRefs="COPROPORPHYRINOGEN_III-atom4 COPROPORPHYRINOGEN_III-atom28" order="1"/> <bond id="COPROPORPHYRINOGEN_III-bond50" atomRefs="COPROPORPHYRINOGEN_III-atom3 COPROPORPHYRINOGEN_III-atom27" order="1"/> <bond id="COPROPORPHYRINOGEN_III-bond51" atomRefs="COPROPORPHYRINOGEN_III-atom2 COPROPORPHYRINOGEN_III-atom16" order="1"/> <bond id="COPROPORPHYRINOGEN_III-bond52" atomRefs="COPROPORPHYRINOGEN_III-atom1 COPROPORPHYRINOGEN_III-atom15" order="1"/> <formula concise="C 36 H 40 N 4 O 8" formalCharge="0"/> 660.766 Cc5(c(CCC(=O)O)c4(Cc1(nc(c(C)c1CCC(=O)O)Cc2(nc(c(c2C)CCC(=O)O)Cc3(c(C)c(c(n3)Cc(n4)5)CCC(O)=O)))))
Involved, together with EC 4.2.1.101 in the production of vanillin from trans-ferulic acid. Vanillin is converted to vanillate by EC 1.2.1.67.
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atomRefs="4-HYDROXY-ETCETERA-HYDROXYPROPIONYL-COA-atom28 4-HYDROXY-ETCETERA-HYDROXYPROPIONYL-COA-atom37" order="1"/> <bond id="4-HYDROXY-ETCETERA-HYDROXYPROPIONYL-COA-bond33" atomRefs="4-HYDROXY-ETCETERA-HYDROXYPROPIONYL-COA-atom27 4-HYDROXY-ETCETERA-HYDROXYPROPIONYL-COA-atom43" order="1"/> <bond id="4-HYDROXY-ETCETERA-HYDROXYPROPIONYL-COA-bond34" atomRefs="4-HYDROXY-ETCETERA-HYDROXYPROPIONYL-COA-atom26 4-HYDROXY-ETCETERA-HYDROXYPROPIONYL-COA-atom42" order="1"/> <bond id="4-HYDROXY-ETCETERA-HYDROXYPROPIONYL-COA-bond35" atomRefs="4-HYDROXY-ETCETERA-HYDROXYPROPIONYL-COA-atom25 4-HYDROXY-ETCETERA-HYDROXYPROPIONYL-COA-atom35" order="1"/> <bond id="4-HYDROXY-ETCETERA-HYDROXYPROPIONYL-COA-bond36" atomRefs="4-HYDROXY-ETCETERA-HYDROXYPROPIONYL-COA-atom25 4-HYDROXY-ETCETERA-HYDROXYPROPIONYL-COA-atom27" order="1"/> <bond id="4-HYDROXY-ETCETERA-HYDROXYPROPIONYL-COA-bond37" atomRefs="4-HYDROXY-ETCETERA-HYDROXYPROPIONYL-COA-atom24 4-HYDROXY-ETCETERA-HYDROXYPROPIONYL-COA-atom34" order="1"/> <bond 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4-HYDROXY-ETCETERA-HYDROXYPROPIONYL-COA-atom48" order="A"/> <bond id="4-HYDROXY-ETCETERA-HYDROXYPROPIONYL-COA-bond44" atomRefs="4-HYDROXY-ETCETERA-HYDROXYPROPIONYL-COA-atom47 4-HYDROXY-ETCETERA-HYDROXYPROPIONYL-COA-atom20" order="A"/> <bond id="4-HYDROXY-ETCETERA-HYDROXYPROPIONYL-COA-bond45" atomRefs="4-HYDROXY-ETCETERA-HYDROXYPROPIONYL-COA-atom20 4-HYDROXY-ETCETERA-HYDROXYPROPIONYL-COA-atom21" order="A"/> <bond id="4-HYDROXY-ETCETERA-HYDROXYPROPIONYL-COA-bond46" atomRefs="4-HYDROXY-ETCETERA-HYDROXYPROPIONYL-COA-atom19 4-HYDROXY-ETCETERA-HYDROXYPROPIONYL-COA-atom32" order="A"/> <bond id="4-HYDROXY-ETCETERA-HYDROXYPROPIONYL-COA-bond47" atomRefs="4-HYDROXY-ETCETERA-HYDROXYPROPIONYL-COA-atom31 4-HYDROXY-ETCETERA-HYDROXYPROPIONYL-COA-atom19" order="A"/> <bond id="4-HYDROXY-ETCETERA-HYDROXYPROPIONYL-COA-bond48" atomRefs="4-HYDROXY-ETCETERA-HYDROXYPROPIONYL-COA-atom18 4-HYDROXY-ETCETERA-HYDROXYPROPIONYL-COA-atom62" order="1"/> <bond id="4-HYDROXY-ETCETERA-HYDROXYPROPIONYL-COA-bond49" atomRefs="4-HYDROXY-ETCETERA-HYDROXYPROPIONYL-COA-atom17 4-HYDROXY-ETCETERA-HYDROXYPROPIONYL-COA-atom61" order="1"/> <bond id="4-HYDROXY-ETCETERA-HYDROXYPROPIONYL-COA-bond50" atomRefs="4-HYDROXY-ETCETERA-HYDROXYPROPIONYL-COA-atom16 4-HYDROXY-ETCETERA-HYDROXYPROPIONYL-COA-atom60" order="1"/> <bond id="4-HYDROXY-ETCETERA-HYDROXYPROPIONYL-COA-bond51" atomRefs="4-HYDROXY-ETCETERA-HYDROXYPROPIONYL-COA-atom15 4-HYDROXY-ETCETERA-HYDROXYPROPIONYL-COA-atom60" order="1"/> <bond id="4-HYDROXY-ETCETERA-HYDROXYPROPIONYL-COA-bond52" atomRefs="4-HYDROXY-ETCETERA-HYDROXYPROPIONYL-COA-atom55 4-HYDROXY-ETCETERA-HYDROXYPROPIONYL-COA-atom14" order="1"/> <bond id="4-HYDROXY-ETCETERA-HYDROXYPROPIONYL-COA-bond53" atomRefs="4-HYDROXY-ETCETERA-HYDROXYPROPIONYL-COA-atom13 4-HYDROXY-ETCETERA-HYDROXYPROPIONYL-COA-atom53" order="1"/> <bond id="4-HYDROXY-ETCETERA-HYDROXYPROPIONYL-COA-bond54" atomRefs="4-HYDROXY-ETCETERA-HYDROXYPROPIONYL-COA-atom12 4-HYDROXY-ETCETERA-HYDROXYPROPIONYL-COA-atom52" order="1"/> <bond id="4-HYDROXY-ETCETERA-HYDROXYPROPIONYL-COA-bond55" atomRefs="4-HYDROXY-ETCETERA-HYDROXYPROPIONYL-COA-atom11 4-HYDROXY-ETCETERA-HYDROXYPROPIONYL-COA-atom47" order="1"/> <bond id="4-HYDROXY-ETCETERA-HYDROXYPROPIONYL-COA-bond56" atomRefs="4-HYDROXY-ETCETERA-HYDROXYPROPIONYL-COA-atom10 4-HYDROXY-ETCETERA-HYDROXYPROPIONYL-COA-atom62" order="2"/> <bond id="4-HYDROXY-ETCETERA-HYDROXYPROPIONYL-COA-bond57" atomRefs="4-HYDROXY-ETCETERA-HYDROXYPROPIONYL-COA-atom9 4-HYDROXY-ETCETERA-HYDROXYPROPIONYL-COA-atom61" order="2"/> <bond id="4-HYDROXY-ETCETERA-HYDROXYPROPIONYL-COA-bond58" atomRefs="4-HYDROXY-ETCETERA-HYDROXYPROPIONYL-COA-atom8 4-HYDROXY-ETCETERA-HYDROXYPROPIONYL-COA-atom60" order="2"/> <bond id="4-HYDROXY-ETCETERA-HYDROXYPROPIONYL-COA-bond59" atomRefs="4-HYDROXY-ETCETERA-HYDROXYPROPIONYL-COA-atom7 4-HYDROXY-ETCETERA-HYDROXYPROPIONYL-COA-atom45" order="2"/> <bond id="4-HYDROXY-ETCETERA-HYDROXYPROPIONYL-COA-bond60" atomRefs="4-HYDROXY-ETCETERA-HYDROXYPROPIONYL-COA-atom6 4-HYDROXY-ETCETERA-HYDROXYPROPIONYL-COA-atom44" order="2"/> <bond id="4-HYDROXY-ETCETERA-HYDROXYPROPIONYL-COA-bond61" atomRefs="4-HYDROXY-ETCETERA-HYDROXYPROPIONYL-COA-atom5 4-HYDROXY-ETCETERA-HYDROXYPROPIONYL-COA-atom43" order="2"/> <bond id="4-HYDROXY-ETCETERA-HYDROXYPROPIONYL-COA-bond62" atomRefs="4-HYDROXY-ETCETERA-HYDROXYPROPIONYL-COA-atom4 4-HYDROXY-ETCETERA-HYDROXYPROPIONYL-COA-atom46" order="1"/> <bond id="4-HYDROXY-ETCETERA-HYDROXYPROPIONYL-COA-bond63" atomRefs="4-HYDROXY-ETCETERA-HYDROXYPROPIONYL-COA-atom3 4-HYDROXY-ETCETERA-HYDROXYPROPIONYL-COA-atom59" order="1"/> <bond id="4-HYDROXY-ETCETERA-HYDROXYPROPIONYL-COA-bond64" atomRefs="4-HYDROXY-ETCETERA-HYDROXYPROPIONYL-COA-atom2 4-HYDROXY-ETCETERA-HYDROXYPROPIONYL-COA-atom59" order="1"/> <bond id="4-HYDROXY-ETCETERA-HYDROXYPROPIONYL-COA-bond65" atomRefs="4-HYDROXY-ETCETERA-HYDROXYPROPIONYL-COA-atom1 4-HYDROXY-ETCETERA-HYDROXYPROPIONYL-COA-atom36" order="1"/> <formula concise="C 31 H 46 N 7 O 20 P 3 S 1" formalCharge="0"/> 961.721 CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(O)c1(cc(OC)c(O)cc1))COP(=O)(O)OP(=O)(O)OCC2(OC(C(O)C2OP(O)(O)=O)N3(c4(c(N=C3)c(N)ncn4)))
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This gene is predicted to be present and functional in capsaicin biosynthesis of |FRAME: TAX-4071| and experimental proof is still awaited |CITS: [15918882]|.
Fructose-1,6-bisphosphate triosephosphate-lyase
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<atom id="2-PG-atom1" elementType="O" x2="4.1501" y2="-5.5675"/> <atom id="2-PG-atom2" elementType="O" x2="2.0788" y2="0.0"/> <atom id="2-PG-atom3" elementType="O" x2="0.0" y2="-5.5675"/> <atom id="2-PG-atom4" elementType="O" x2="4.1501" y2="-3.1713"/> <atom id="2-PG-atom5" elementType="O" x2="0.7051" y2="-1.5107"/> <atom id="2-PG-atom6" elementType="O" x2="3.4653" y2="-1.502"/> <atom id="2-PG-atom7" elementType="C" x2="0.6917" y2="-4.3693"/> <atom id="2-PG-atom8" elementType="O" x2="2.076" y2="-2.9894"/> <atom id="2-PG-atom9" elementType="C" x2="3.4585" y2="-4.3693"/> <atom id="2-PG-atom10" elementType="C" x2="2.0751" y2="-4.3693"/> <atom id="2-PG-atom11" elementType="P" x2="2.105" y2="-1.4909"/> <bond id="2-PG-bond1" atomRefs="2-PG-atom9 2-PG-atom10" order="1"/> <bond id="2-PG-bond2" atomRefs="2-PG-atom8 2-PG-atom11" order="1"/> <bond id="2-PG-bond3" atomRefs="2-PG-atom10 2-PG-atom8" order="1"/> <bond id="2-PG-bond4" atomRefs="2-PG-atom7 2-PG-atom10" order="1"/> <bond id="2-PG-bond5" atomRefs="2-PG-atom6 2-PG-atom11" order="1"/> <bond id="2-PG-bond6" atomRefs="2-PG-atom5 2-PG-atom11" order="1"/> <bond id="2-PG-bond7" atomRefs="2-PG-atom4 2-PG-atom9" order="1"/> <bond id="2-PG-bond8" atomRefs="2-PG-atom3 2-PG-atom7" order="1"/> <bond id="2-PG-bond9" atomRefs="2-PG-atom2 2-PG-atom11" order="2"/> <bond id="2-PG-bond10" atomRefs="2-PG-atom1 2-PG-atom9" order="2"/> <formula concise="C 3 H 7 O 7 P 1" formalCharge="0"/> 186.058 C(O)C(C(O)=O)OP(O)(O)=O
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DTDP-D-GLUCOSE-atom16" order="1"/> <bond id="DTDP-D-GLUCOSE-bond23" atomRefs="DTDP-D-GLUCOSE-atom16 DTDP-D-GLUCOSE-atom18" order="1"/> <bond id="DTDP-D-GLUCOSE-bond24" atomRefs="DTDP-D-GLUCOSE-atom30 DTDP-D-GLUCOSE-atom15" order="1"/> <bond id="DTDP-D-GLUCOSE-bond25" atomRefs="DTDP-D-GLUCOSE-atom35 DTDP-D-GLUCOSE-atom14" order="A"/> <bond id="DTDP-D-GLUCOSE-bond26" atomRefs="DTDP-D-GLUCOSE-atom14 DTDP-D-GLUCOSE-atom23" order="A"/> <bond id="DTDP-D-GLUCOSE-bond27" atomRefs="DTDP-D-GLUCOSE-atom13 DTDP-D-GLUCOSE-atom37" order="1"/> <bond id="DTDP-D-GLUCOSE-bond28" atomRefs="DTDP-D-GLUCOSE-atom12 DTDP-D-GLUCOSE-atom36" order="1"/> <bond id="DTDP-D-GLUCOSE-bond29" atomRefs="DTDP-D-GLUCOSE-atom29 DTDP-D-GLUCOSE-atom11" order="1"/> <bond id="DTDP-D-GLUCOSE-bond30" atomRefs="DTDP-D-GLUCOSE-atom28 DTDP-D-GLUCOSE-atom10" order="1"/> <bond id="DTDP-D-GLUCOSE-bond31" atomRefs="DTDP-D-GLUCOSE-atom27 DTDP-D-GLUCOSE-atom9" order="1"/> <bond id="DTDP-D-GLUCOSE-bond32" atomRefs="DTDP-D-GLUCOSE-atom26 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<atom id="TRANS-D2-ENOYL-COA-atom34" elementType="C" x2="-1.0" y2="-0.76323986"/> <atom id="TRANS-D2-ENOYL-COA-atom35" elementType="P" x2="-0.1775701" y2="-0.2492212"/> <atom id="TRANS-D2-ENOYL-COA-atom36" elementType="C" x2="0.84112144" y2="-0.36137074"/> <atom id="TRANS-D2-ENOYL-COA-atom37" elementType="C" x2="-0.6323987" y2="-0.105919"/> <atom id="TRANS-D2-ENOYL-COA-atom38" elementType="H" x2="0.90031147" y2="-0.3520249"/> <atom id="TRANS-D2-ENOYL-COA-atom39" elementType="O" x2="-0.1775701" y2="-0.41121495"/> <atom id="TRANS-D2-ENOYL-COA-atom40" elementType="C" x2="0.0062304735" y2="-0.83489096"/> <atom id="TRANS-D2-ENOYL-COA-atom41" elementType="C" x2="0.75700927" y2="0.24299061"/> <atom id="TRANS-D2-ENOYL-COA-atom42" elementType="O" x2="-0.8753894" y2="-0.105919"/> <atom id="TRANS-D2-ENOYL-COA-atom43" elementType="O" x2="-0.7694704" y2="-0.5109035"/> <atom id="TRANS-D2-ENOYL-COA-atom44" elementType="C" x2="-0.6323987" y2="-0.43302184"/> <atom id="TRANS-D2-ENOYL-COA-atom45" elementType="C" x2="0.90031147" y2="-0.2523365"/> <atom id="TRANS-D2-ENOYL-COA-atom46" elementType="C" x2="0.9968847" y2="0.16510904"/> <atom id="TRANS-D2-ENOYL-COA-atom47" elementType="O" x2="0.65420556" y2="-0.47040498"/> <atom id="TRANS-D2-ENOYL-COA-atom48" elementType="N" x2="-0.5638629" y2="-0.8286604"/> <atom id="TRANS-D2-ENOYL-COA-atom49" elementType="O" x2="0.84112144" y2="-0.4610592"/> <atom id="TRANS-D2-ENOYL-COA-atom50" elementType="H" x2="0.65420556" y2="-0.26168227"/> <atom id="TRANS-D2-ENOYL-COA-atom51" elementType="C" x2="-0.8753894" y2="-0.2679128"/> <atom id="TRANS-D2-ENOYL-COA-atom52" elementType="C" x2="-0.5140187" y2="-0.34579444"/> <atom id="TRANS-D2-ENOYL-COA-atom53" elementType="C" x2="-0.26168227" y2="-0.8286604"/> <atom id="TRANS-D2-ENOYL-COA-atom54" elementType="O" x2="-0.0373832" y2="-0.2492212"/> <atom id="TRANS-D2-ENOYL-COA-atom55" elementType="C" x2="0.25856698" y2="-0.8255452"/> <atom id="TRANS-D2-ENOYL-COA-atom56" elementType="O" x2="0.2866043" y2="-0.2492212"/> <atom id="TRANS-D2-ENOYL-COA-atom57" elementType="C" x2="-0.6323987" y2="-0.2679128"/> </atomArray> <bondArray> <bond id="TRANS-D2-ENOYL-COA-bond1" atomRefs="TRANS-D2-ENOYL-COA-atom56 TRANS-D2-ENOYL-COA-atom18" order="1"/> <bond id="TRANS-D2-ENOYL-COA-bond2" atomRefs="TRANS-D2-ENOYL-COA-atom55 TRANS-D2-ENOYL-COA-atom23" order="1"/> <bond id="TRANS-D2-ENOYL-COA-bond3" atomRefs="TRANS-D2-ENOYL-COA-atom55 TRANS-D2-ENOYL-COA-atom26" order="2"/> <bond id="TRANS-D2-ENOYL-COA-bond4" atomRefs="TRANS-D2-ENOYL-COA-atom54 TRANS-D2-ENOYL-COA-atom35" order="1"/> <bond id="TRANS-D2-ENOYL-COA-bond5" atomRefs="TRANS-D2-ENOYL-COA-atom54 TRANS-D2-ENOYL-COA-atom18" order="1"/> <bond id="TRANS-D2-ENOYL-COA-bond6" atomRefs="TRANS-D2-ENOYL-COA-atom53 TRANS-D2-ENOYL-COA-atom3" order="1"/> <bond id="TRANS-D2-ENOYL-COA-bond7" atomRefs="TRANS-D2-ENOYL-COA-atom52 TRANS-D2-ENOYL-COA-atom29" order="1"/> <bond id="TRANS-D2-ENOYL-COA-bond8" atomRefs="TRANS-D2-ENOYL-COA-atom52 TRANS-D2-ENOYL-COA-atom57" order="1"/> <bond id="TRANS-D2-ENOYL-COA-bond9" atomRefs="TRANS-D2-ENOYL-COA-atom51 TRANS-D2-ENOYL-COA-atom31" order="1"/> <bond id="TRANS-D2-ENOYL-COA-bond10" atomRefs="TRANS-D2-ENOYL-COA-atom50 TRANS-D2-ENOYL-COA-atom25" order="1"/> <bond id="TRANS-D2-ENOYL-COA-bond11" atomRefs="TRANS-D2-ENOYL-COA-atom49 TRANS-D2-ENOYL-COA-atom36" order="1"/> <bond id="TRANS-D2-ENOYL-COA-bond12" atomRefs="TRANS-D2-ENOYL-COA-atom48 TRANS-D2-ENOYL-COA-atom5" order="1"/> <bond id="TRANS-D2-ENOYL-COA-bond13" atomRefs="TRANS-D2-ENOYL-COA-atom47 TRANS-D2-ENOYL-COA-atom25" order="1"/> <bond id="TRANS-D2-ENOYL-COA-bond14" atomRefs="TRANS-D2-ENOYL-COA-atom47 TRANS-D2-ENOYL-COA-atom7" order="1"/> <bond id="TRANS-D2-ENOYL-COA-bond15" atomRefs="TRANS-D2-ENOYL-COA-atom46 TRANS-D2-ENOYL-COA-atom28" order="A"/> <bond id="TRANS-D2-ENOYL-COA-bond16" atomRefs="TRANS-D2-ENOYL-COA-atom44 TRANS-D2-ENOYL-COA-atom57" order="1"/> <bond id="TRANS-D2-ENOYL-COA-bond17" atomRefs="TRANS-D2-ENOYL-COA-atom43 TRANS-D2-ENOYL-COA-atom31" order="1"/> <bond id="TRANS-D2-ENOYL-COA-bond18" atomRefs="TRANS-D2-ENOYL-COA-atom42 TRANS-D2-ENOYL-COA-atom51" order="2"/> <bond id="TRANS-D2-ENOYL-COA-bond19" atomRefs="TRANS-D2-ENOYL-COA-atom41 TRANS-D2-ENOYL-COA-atom22" order="A"/> <bond id="TRANS-D2-ENOYL-COA-bond20" atomRefs="TRANS-D2-ENOYL-COA-atom39 TRANS-D2-ENOYL-COA-atom35" order="1"/> <bond id="TRANS-D2-ENOYL-COA-bond21" atomRefs="TRANS-D2-ENOYL-COA-atom38 TRANS-D2-ENOYL-COA-atom45" order="1"/> <bond id="TRANS-D2-ENOYL-COA-bond22" atomRefs="TRANS-D2-ENOYL-COA-atom37 TRANS-D2-ENOYL-COA-atom57" order="1"/> <bond id="TRANS-D2-ENOYL-COA-bond23" atomRefs="TRANS-D2-ENOYL-COA-atom36 TRANS-D2-ENOYL-COA-atom45" order="1"/> <bond id="TRANS-D2-ENOYL-COA-bond24" atomRefs="TRANS-D2-ENOYL-COA-atom36 TRANS-D2-ENOYL-COA-atom25" order="1"/> <bond id="TRANS-D2-ENOYL-COA-bond25" atomRefs="TRANS-D2-ENOYL-COA-atom34 TRANS-D2-ENOYL-COA-atom15" order="1"/> <bond id="TRANS-D2-ENOYL-COA-bond26" atomRefs="TRANS-D2-ENOYL-COA-atom34 TRANS-D2-ENOYL-COA-atom27" order="1"/> <bond id="TRANS-D2-ENOYL-COA-bond27" atomRefs="TRANS-D2-ENOYL-COA-atom33 TRANS-D2-ENOYL-COA-atom35" order="2"/> <bond id="TRANS-D2-ENOYL-COA-bond28" atomRefs="TRANS-D2-ENOYL-COA-atom32 TRANS-D2-ENOYL-COA-atom24" order="1"/> <bond id="TRANS-D2-ENOYL-COA-bond29" atomRefs="TRANS-D2-ENOYL-COA-atom31 TRANS-D2-ENOYL-COA-atom57" order="1"/> <bond id="TRANS-D2-ENOYL-COA-bond30" atomRefs="TRANS-D2-ENOYL-COA-atom30 TRANS-D2-ENOYL-COA-atom41" order="A"/> <bond id="TRANS-D2-ENOYL-COA-bond31" atomRefs="TRANS-D2-ENOYL-COA-atom29 TRANS-D2-ENOYL-COA-atom35" order="1"/> <bond id="TRANS-D2-ENOYL-COA-bond32" atomRefs="TRANS-D2-ENOYL-COA-atom28 TRANS-D2-ENOYL-COA-atom41" order="A"/> <bond id="TRANS-D2-ENOYL-COA-bond33" atomRefs="TRANS-D2-ENOYL-COA-atom27 TRANS-D2-ENOYL-COA-atom51" order="1"/> <bond id="TRANS-D2-ENOYL-COA-bond34" atomRefs="TRANS-D2-ENOYL-COA-atom26 TRANS-D2-ENOYL-COA-atom40" order="1"/> <bond id="TRANS-D2-ENOYL-COA-bond35" atomRefs="TRANS-D2-ENOYL-COA-atom24 TRANS-D2-ENOYL-COA-atom25" order="1"/> <bond id="TRANS-D2-ENOYL-COA-bond36" atomRefs="TRANS-D2-ENOYL-COA-atom22 TRANS-D2-ENOYL-COA-atom11" order="A"/> <bond id="TRANS-D2-ENOYL-COA-bond37" atomRefs="TRANS-D2-ENOYL-COA-atom22 TRANS-D2-ENOYL-COA-atom1" order="A"/> <bond id="TRANS-D2-ENOYL-COA-bond38" atomRefs="TRANS-D2-ENOYL-COA-atom21 TRANS-D2-ENOYL-COA-atom36" order="1"/> <bond id="TRANS-D2-ENOYL-COA-bond39" atomRefs="TRANS-D2-ENOYL-COA-atom20 TRANS-D2-ENOYL-COA-atom56" order="1"/> <bond id="TRANS-D2-ENOYL-COA-bond40" atomRefs="TRANS-D2-ENOYL-COA-atom20 TRANS-D2-ENOYL-COA-atom24" order="1"/> <bond id="TRANS-D2-ENOYL-COA-bond41" atomRefs="TRANS-D2-ENOYL-COA-atom19 TRANS-D2-ENOYL-COA-atom18" order="1"/> <bond id="TRANS-D2-ENOYL-COA-bond42" atomRefs="TRANS-D2-ENOYL-COA-atom17 TRANS-D2-ENOYL-COA-atom24" order="1"/> <bond id="TRANS-D2-ENOYL-COA-bond43" atomRefs="TRANS-D2-ENOYL-COA-atom17 TRANS-D2-ENOYL-COA-atom45" order="1"/> <bond id="TRANS-D2-ENOYL-COA-bond44" atomRefs="TRANS-D2-ENOYL-COA-atom16 TRANS-D2-ENOYL-COA-atom9" order="A"/> <bond id="TRANS-D2-ENOYL-COA-bond45" atomRefs="TRANS-D2-ENOYL-COA-atom15 TRANS-D2-ENOYL-COA-atom5" order="1"/> <bond id="TRANS-D2-ENOYL-COA-bond46" atomRefs="TRANS-D2-ENOYL-COA-atom14 TRANS-D2-ENOYL-COA-atom53" order="1"/> <bond id="TRANS-D2-ENOYL-COA-bond47" atomRefs="TRANS-D2-ENOYL-COA-atom14 TRANS-D2-ENOYL-COA-atom48" order="1"/> <bond id="TRANS-D2-ENOYL-COA-bond48" atomRefs="TRANS-D2-ENOYL-COA-atom13 TRANS-D2-ENOYL-COA-atom18" order="2"/> <bond id="TRANS-D2-ENOYL-COA-bond49" atomRefs="TRANS-D2-ENOYL-COA-atom12 TRANS-D2-ENOYL-COA-atom7" order="1"/> <bond id="TRANS-D2-ENOYL-COA-bond50" atomRefs="TRANS-D2-ENOYL-COA-atom11 TRANS-D2-ENOYL-COA-atom16" order="A"/> <bond id="TRANS-D2-ENOYL-COA-bond51" atomRefs="TRANS-D2-ENOYL-COA-atom10 TRANS-D2-ENOYL-COA-atom30" order="1"/> <bond id="TRANS-D2-ENOYL-COA-bond52" atomRefs="TRANS-D2-ENOYL-COA-atom9 TRANS-D2-ENOYL-COA-atom30" order="A"/> <bond id="TRANS-D2-ENOYL-COA-bond53" atomRefs="TRANS-D2-ENOYL-COA-atom8 TRANS-D2-ENOYL-COA-atom5" order="2"/> <bond id="TRANS-D2-ENOYL-COA-bond54" atomRefs="TRANS-D2-ENOYL-COA-atom6 TRANS-D2-ENOYL-COA-atom40" order="2"/> <bond id="TRANS-D2-ENOYL-COA-bond55" atomRefs="TRANS-D2-ENOYL-COA-atom4 TRANS-D2-ENOYL-COA-atom7" order="2"/> <bond id="TRANS-D2-ENOYL-COA-bond56" atomRefs="TRANS-D2-ENOYL-COA-atom3 TRANS-D2-ENOYL-COA-atom40" order="1"/> <bond id="TRANS-D2-ENOYL-COA-bond57" atomRefs="TRANS-D2-ENOYL-COA-atom2 TRANS-D2-ENOYL-COA-atom7" order="1"/> <bond id="TRANS-D2-ENOYL-COA-bond58" atomRefs="TRANS-D2-ENOYL-COA-atom1 TRANS-D2-ENOYL-COA-atom45" order="1"/> <bond id="TRANS-D2-ENOYL-COA-bond59" atomRefs="TRANS-D2-ENOYL-COA-atom1 TRANS-D2-ENOYL-COA-atom46" order="A"/> </bondArray> <formula concise="C 24 H 37 N 7 O 17 R 1 P 3 S 1" formalCharge="0"/> </molecule> </cml>
<cml> <molecule id="L-3-HYDROXYACYL-COA" title="a (3S)-3-hydroxyacyl-CoA" dictRef="dictL-3-HYDROXYACYL-COA"> <atomArray> <atom id="L-3-HYDROXYACYL-COA-atom1" elementType="O" x2="1.5395" y2="-1.3243"/> <atom id="L-3-HYDROXYACYL-COA-atom2" elementType="C" x2="5.3626" y2="0.8941"/> <atom id="L-3-HYDROXYACYL-COA-atom3" elementType="C" x2="-5.3792" y2="-4.0882"/> <atom id="L-3-HYDROXYACYL-COA-atom4" elementType="C" x2="-3.4094" y2="-2.3174"/> <atom id="L-3-HYDROXYACYL-COA-atom5" elementType="O" x2="-0.9435" y2="-2.2012"/> <atom id="L-3-HYDROXYACYL-COA-atom6" elementType="N" x2="4.7999" y2="1.6385"/> <atom id="L-3-HYDROXYACYL-COA-atom7" elementType="O" x2="2.9957" y2="-3.0786"/> <atom id="L-3-HYDROXYACYL-COA-atom8" elementType="C" x2="2.6976" y2="0.5131"/> <atom id="L-3-HYDROXYACYL-COA-atom9" elementType="C" x2="-3.4094" y2="-1.4233"/> <atom id="L-3-HYDROXYACYL-COA-atom10" elementType="H" x2="3.1942" y2="-1.8537"/> <atom id="L-3-HYDROXYACYL-COA-atom11" elementType="N" x2="-5.3792" 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id="L-3-HYDROXYACYL-COA-atom24" elementType="C" x2="-4.7171" y2="-4.4852"/> <atom id="L-3-HYDROXYACYL-COA-atom25" elementType="C" x2="4.0882" y2="1.3243"/> <atom id="L-3-HYDROXYACYL-COA-atom26" elementType="H" x2="3.5423" y2="-1.3905"/> <atom id="L-3-HYDROXYACYL-COA-atom27" elementType="C" x2="4.8493" y2="-1.3405"/> <atom id="L-3-HYDROXYACYL-COA-atom28" elementType="O" x2="4.5352" y2="-2.4664"/> <atom id="L-3-HYDROXYACYL-COA-atom29" elementType="O" x2="4.0715" y2="-3.0618"/> <atom id="L-3-HYDROXYACYL-COA-atom30" elementType="O" x2="0.695" y2="-0.4304"/> <atom id="L-3-HYDROXYACYL-COA-atom31" elementType="C" x2="-2.7477" y2="-1.837"/> <atom id="L-3-HYDROXYACYL-COA-atom32" elementType="N" x2="4.8493" y2="0.1156"/> <atom id="L-3-HYDROXYACYL-COA-atom33" elementType="P" x2="0.695" y2="-1.3243"/> <atom id="L-3-HYDROXYACYL-COA-atom34" elementType="C" x2="-4.1377" y2="-1.837"/> <atom id="L-3-HYDROXYACYL-COA-atom35" elementType="C" x2="3.5423" y2="-1.9365"/> <atom id="L-3-HYDROXYACYL-COA-atom36" 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METHACRYLYL-COA-atom24" order="1"/> <bond id="METHACRYLYL-COA-bond45" atomRefs="METHACRYLYL-COA-atom15 METHACRYLYL-COA-atom26" order="2"/> <bond id="METHACRYLYL-COA-bond46" atomRefs="METHACRYLYL-COA-atom14 METHACRYLYL-COA-atom1" order="1"/> <bond id="METHACRYLYL-COA-bond47" atomRefs="METHACRYLYL-COA-atom13 METHACRYLYL-COA-atom9" order="1"/> <bond id="METHACRYLYL-COA-bond48" atomRefs="METHACRYLYL-COA-atom12 METHACRYLYL-COA-atom42" order="A"/> <bond id="METHACRYLYL-COA-bond49" atomRefs="METHACRYLYL-COA-atom11 METHACRYLYL-COA-atom31" order="1"/> <bond id="METHACRYLYL-COA-bond50" atomRefs="METHACRYLYL-COA-atom10 METHACRYLYL-COA-atom27" order="A"/> <bond id="METHACRYLYL-COA-bond51" atomRefs="METHACRYLYL-COA-atom9 METHACRYLYL-COA-atom26" order="1"/> <bond id="METHACRYLYL-COA-bond52" atomRefs="METHACRYLYL-COA-atom8 METHACRYLYL-COA-atom56" order="1"/> <bond id="METHACRYLYL-COA-bond53" atomRefs="METHACRYLYL-COA-atom7 METHACRYLYL-COA-atom31" order="2"/> <bond id="METHACRYLYL-COA-bond54" atomRefs="METHACRYLYL-COA-atom6 METHACRYLYL-COA-atom8" order="2"/> <bond id="METHACRYLYL-COA-bond55" atomRefs="METHACRYLYL-COA-atom5 METHACRYLYL-COA-atom47" order="A"/> <bond id="METHACRYLYL-COA-bond56" atomRefs="METHACRYLYL-COA-atom4 METHACRYLYL-COA-atom35" order="1"/> <bond id="METHACRYLYL-COA-bond57" atomRefs="METHACRYLYL-COA-atom2 METHACRYLYL-COA-atom46" order="1"/> <bond id="METHACRYLYL-COA-bond58" atomRefs="METHACRYLYL-COA-atom1 METHACRYLYL-COA-atom27" order="1"/> <bond id="METHACRYLYL-COA-bond59" atomRefs="METHACRYLYL-COA-atom1 METHACRYLYL-COA-atom3" order="1"/> <formula concise="C 25 H 40 N 7 O 17 P 3 S 1" formalCharge="0"/> 835.609 [CH]3(n1(c2(c(nc1)c(N)ncn2)))(O[CH]([CH]([CH](O)3)OP(O)(O)=O)COP(O)(=O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)C(C)=C)
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elementType="N" x2="0.45695" y2="-0.25828"/> <atom id="3-HYDROXY-ISOBUTYRYL-COA-atom13" elementType="O" x2="-0.72848" y2="0.35762"/> <atom id="3-HYDROXY-ISOBUTYRYL-COA-atom14" elementType="O" x2="0.72185" y2="0.1755"/> <atom id="3-HYDROXY-ISOBUTYRYL-COA-atom15" elementType="O" x2="-0.86424" y2="-0.07947"/> <atom id="3-HYDROXY-ISOBUTYRYL-COA-atom16" elementType="N" x2="-0.52649" y2="0.70861"/> <atom id="3-HYDROXY-ISOBUTYRYL-COA-atom17" elementType="O" x2="0.39073" y2="0.07285"/> <atom id="3-HYDROXY-ISOBUTYRYL-COA-atom18" elementType="C" x2="-0.70861" y2="0.61589"/> <atom id="3-HYDROXY-ISOBUTYRYL-COA-atom19" elementType="O" x2="0.8245" y2="0.49669"/> <atom id="3-HYDROXY-ISOBUTYRYL-COA-atom20" elementType="O" x2="-0.10927" y2="-0.10596"/> <atom id="3-HYDROXY-ISOBUTYRYL-COA-atom21" elementType="O" x2="0.21854" y2="-0.10596"/> <atom id="3-HYDROXY-ISOBUTYRYL-COA-atom22" elementType="C" x2="0.22848" y2="0.61258"/> <atom id="3-HYDROXY-ISOBUTYRYL-COA-atom23" elementType="H" x2="0.62252" y2="0.28477"/> <atom id="3-HYDROXY-ISOBUTYRYL-COA-atom24" elementType="C" x2="0.59603" y2="-0.34437"/> <atom id="3-HYDROXY-ISOBUTYRYL-COA-atom25" elementType="S" x2="-0.06291" y2="0.60265"/> <atom id="3-HYDROXY-ISOBUTYRYL-COA-atom26" elementType="C" x2="-0.86424" y2="0.09934"/> <atom id="3-HYDROXY-ISOBUTYRYL-COA-atom27" elementType="N" x2="0.89073" y2="-0.02318"/> <atom id="3-HYDROXY-ISOBUTYRYL-COA-atom28" elementType="C" x2="0.22848" y2="0.43377"/> <atom id="3-HYDROXY-ISOBUTYRYL-COA-atom29" elementType="P" x2="0.72185" y2="0.82119"/> <atom id="3-HYDROXY-ISOBUTYRYL-COA-atom30" elementType="O" x2="-0.31457" y2="0.07285"/> <atom id="3-HYDROXY-ISOBUTYRYL-COA-atom31" elementType="O" x2="0.72185" y2="0.62252"/> <atom id="3-HYDROXY-ISOBUTYRYL-COA-atom32" elementType="C" x2="-0.47351" y2="0.17881"/> <atom id="3-HYDROXY-ISOBUTYRYL-COA-atom33" elementType="O" x2="0.04305" y2="0.07285"/> <atom id="3-HYDROXY-ISOBUTYRYL-COA-atom34" elementType="O" x2="-0.10927" y2="0.25166"/> <atom 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elementType="P" x2="0.21854" y2="0.07285"/> <atom id="3-HYDROXY-ISOBUTYRYL-COA-atom47" elementType="C" x2="0.73841" y2="-0.10596"/> <atom id="3-HYDROXY-ISOBUTYRYL-COA-atom48" elementType="O" x2="0.36093" y2="0.88079"/> <atom id="3-HYDROXY-ISOBUTYRYL-COA-atom49" elementType="P" x2="-0.10927" y2="0.07285"/> <atom id="3-HYDROXY-ISOBUTYRYL-COA-atom50" elementType="C" x2="0.55629" y2="0.07285"/> <atom id="3-HYDROXY-ISOBUTYRYL-COA-atom51" elementType="C" x2="-0.60265" y2="0.27815"/> <atom id="3-HYDROXY-ISOBUTYRYL-COA-atom52" elementType="C" x2="-0.60265" y2="0.09934"/> <atom id="3-HYDROXY-ISOBUTYRYL-COA-atom53" elementType="C" x2="-0.72848" y2="0.17881"/> <atom id="3-HYDROXY-ISOBUTYRYL-COA-atom54" elementType="C" x2="0.55629" y2="0.26821"/> <atom id="3-HYDROXY-ISOBUTYRYL-COA-atom55" elementType="O" x2="0.90066" y2="0.82119"/> <atom id="3-HYDROXY-ISOBUTYRYL-COA-atom56" elementType="C" x2="0.62252" y2="0.39073"/> <atom id="3-HYDROXY-ISOBUTYRYL-COA-atom57" elementType="N" x2="0.59603" y2="-0.52318"/> <atom id="3-HYDROXY-ISOBUTYRYL-COA-atom58" elementType="H" x2="0.55629" y2="0.37417"/> <bond id="3-HYDROXY-ISOBUTYRYL-COA-bond1" atomRefs="3-HYDROXY-ISOBUTYRYL-COA-atom58 3-HYDROXY-ISOBUTYRYL-COA-atom54" order="1"/> <bond id="3-HYDROXY-ISOBUTYRYL-COA-bond2" atomRefs="3-HYDROXY-ISOBUTYRYL-COA-atom57 3-HYDROXY-ISOBUTYRYL-COA-atom24" order="1"/> <bond id="3-HYDROXY-ISOBUTYRYL-COA-bond3" atomRefs="3-HYDROXY-ISOBUTYRYL-COA-atom56 3-HYDROXY-ISOBUTYRYL-COA-atom31" order="1"/> <bond id="3-HYDROXY-ISOBUTYRYL-COA-bond4" atomRefs="3-HYDROXY-ISOBUTYRYL-COA-atom56 3-HYDROXY-ISOBUTYRYL-COA-atom3" order="1"/> <bond id="3-HYDROXY-ISOBUTYRYL-COA-bond5" atomRefs="3-HYDROXY-ISOBUTYRYL-COA-atom55 3-HYDROXY-ISOBUTYRYL-COA-atom29" order="1"/> <bond id="3-HYDROXY-ISOBUTYRYL-COA-bond6" atomRefs="3-HYDROXY-ISOBUTYRYL-COA-atom54 3-HYDROXY-ISOBUTYRYL-COA-atom14" order="1"/> <bond id="3-HYDROXY-ISOBUTYRYL-COA-bond7" atomRefs="3-HYDROXY-ISOBUTYRYL-COA-atom54 3-HYDROXY-ISOBUTYRYL-COA-atom56" order="1"/> <bond id="3-HYDROXY-ISOBUTYRYL-COA-bond8" atomRefs="3-HYDROXY-ISOBUTYRYL-COA-atom53 3-HYDROXY-ISOBUTYRYL-COA-atom52" order="1"/> <bond id="3-HYDROXY-ISOBUTYRYL-COA-bond9" atomRefs="3-HYDROXY-ISOBUTYRYL-COA-atom52 3-HYDROXY-ISOBUTYRYL-COA-atom32" order="1"/> <bond id="3-HYDROXY-ISOBUTYRYL-COA-bond10" atomRefs="3-HYDROXY-ISOBUTYRYL-COA-atom51 3-HYDROXY-ISOBUTYRYL-COA-atom52" order="1"/> <bond id="3-HYDROXY-ISOBUTYRYL-COA-bond11" atomRefs="3-HYDROXY-ISOBUTYRYL-COA-atom50 3-HYDROXY-ISOBUTYRYL-COA-atom54" order="1"/> <bond id="3-HYDROXY-ISOBUTYRYL-COA-bond12" atomRefs="3-HYDROXY-ISOBUTYRYL-COA-atom49 3-HYDROXY-ISOBUTYRYL-COA-atom33" order="1"/> <bond id="3-HYDROXY-ISOBUTYRYL-COA-bond13" atomRefs="3-HYDROXY-ISOBUTYRYL-COA-atom48 3-HYDROXY-ISOBUTYRYL-COA-atom41" order="1"/> <bond id="3-HYDROXY-ISOBUTYRYL-COA-bond14" atomRefs="3-HYDROXY-ISOBUTYRYL-COA-atom27 3-HYDROXY-ISOBUTYRYL-COA-atom47" order="A"/> <bond id="3-HYDROXY-ISOBUTYRYL-COA-bond15" atomRefs="3-HYDROXY-ISOBUTYRYL-COA-atom46 3-HYDROXY-ISOBUTYRYL-COA-atom17" order="1"/> <bond id="3-HYDROXY-ISOBUTYRYL-COA-bond16" atomRefs="3-HYDROXY-ISOBUTYRYL-COA-atom45 3-HYDROXY-ISOBUTYRYL-COA-atom3" order="1"/> <bond id="3-HYDROXY-ISOBUTYRYL-COA-bond17" atomRefs="3-HYDROXY-ISOBUTYRYL-COA-atom44 3-HYDROXY-ISOBUTYRYL-COA-atom10" order="A"/> <bond id="3-HYDROXY-ISOBUTYRYL-COA-bond18" atomRefs="3-HYDROXY-ISOBUTYRYL-COA-atom38 3-HYDROXY-ISOBUTYRYL-COA-atom44" order="A"/> <bond id="3-HYDROXY-ISOBUTYRYL-COA-bond19" atomRefs="3-HYDROXY-ISOBUTYRYL-COA-atom43 3-HYDROXY-ISOBUTYRYL-COA-atom35" order="1"/> <bond id="3-HYDROXY-ISOBUTYRYL-COA-bond20" atomRefs="3-HYDROXY-ISOBUTYRYL-COA-atom42 3-HYDROXY-ISOBUTYRYL-COA-atom5" order="A"/> <bond id="3-HYDROXY-ISOBUTYRYL-COA-bond21" atomRefs="3-HYDROXY-ISOBUTYRYL-COA-atom41 3-HYDROXY-ISOBUTYRYL-COA-atom22" order="1"/> <bond id="3-HYDROXY-ISOBUTYRYL-COA-bond22" atomRefs="3-HYDROXY-ISOBUTYRYL-COA-atom40 3-HYDROXY-ISOBUTYRYL-COA-atom18" order="2"/> <bond id="3-HYDROXY-ISOBUTYRYL-COA-bond23" atomRefs="3-HYDROXY-ISOBUTYRYL-COA-atom39 3-HYDROXY-ISOBUTYRYL-COA-atom16" order="1"/> <bond id="3-HYDROXY-ISOBUTYRYL-COA-bond24" atomRefs="3-HYDROXY-ISOBUTYRYL-COA-atom47 3-HYDROXY-ISOBUTYRYL-COA-atom38" order="A"/> <bond id="3-HYDROXY-ISOBUTYRYL-COA-bond25" atomRefs="3-HYDROXY-ISOBUTYRYL-COA-atom37 3-HYDROXY-ISOBUTYRYL-COA-atom52" order="1"/> <bond id="3-HYDROXY-ISOBUTYRYL-COA-bond26" atomRefs="3-HYDROXY-ISOBUTYRYL-COA-atom36 3-HYDROXY-ISOBUTYRYL-COA-atom1" order="1"/> <bond id="3-HYDROXY-ISOBUTYRYL-COA-bond27" atomRefs="3-HYDROXY-ISOBUTYRYL-COA-atom35 3-HYDROXY-ISOBUTYRYL-COA-atom9" order="1"/> <bond id="3-HYDROXY-ISOBUTYRYL-COA-bond28" atomRefs="3-HYDROXY-ISOBUTYRYL-COA-atom34 3-HYDROXY-ISOBUTYRYL-COA-atom49" order="1"/> <bond id="3-HYDROXY-ISOBUTYRYL-COA-bond29" atomRefs="3-HYDROXY-ISOBUTYRYL-COA-atom33 3-HYDROXY-ISOBUTYRYL-COA-atom46" order="1"/> <bond id="3-HYDROXY-ISOBUTYRYL-COA-bond30" atomRefs="3-HYDROXY-ISOBUTYRYL-COA-atom32 3-HYDROXY-ISOBUTYRYL-COA-atom30" order="1"/> <bond id="3-HYDROXY-ISOBUTYRYL-COA-bond31" atomRefs="3-HYDROXY-ISOBUTYRYL-COA-atom30 3-HYDROXY-ISOBUTYRYL-COA-atom49" order="1"/> <bond id="3-HYDROXY-ISOBUTYRYL-COA-bond32" atomRefs="3-HYDROXY-ISOBUTYRYL-COA-atom29 3-HYDROXY-ISOBUTYRYL-COA-atom31" order="1"/> <bond id="3-HYDROXY-ISOBUTYRYL-COA-bond33" atomRefs="3-HYDROXY-ISOBUTYRYL-COA-atom28 3-HYDROXY-ISOBUTYRYL-COA-atom22" order="1"/> <bond id="3-HYDROXY-ISOBUTYRYL-COA-bond34" atomRefs="3-HYDROXY-ISOBUTYRYL-COA-atom26 3-HYDROXY-ISOBUTYRYL-COA-atom53" order="1"/> <bond id="3-HYDROXY-ISOBUTYRYL-COA-bond35" atomRefs="3-HYDROXY-ISOBUTYRYL-COA-atom25 3-HYDROXY-ISOBUTYRYL-COA-atom4" order="1"/> <bond id="3-HYDROXY-ISOBUTYRYL-COA-bond36" atomRefs="3-HYDROXY-ISOBUTYRYL-COA-atom38 3-HYDROXY-ISOBUTYRYL-COA-atom24" order="A"/> <bond id="3-HYDROXY-ISOBUTYRYL-COA-bond37" atomRefs="3-HYDROXY-ISOBUTYRYL-COA-atom24 3-HYDROXY-ISOBUTYRYL-COA-atom12" order="A"/> <bond id="3-HYDROXY-ISOBUTYRYL-COA-bond38" atomRefs="3-HYDROXY-ISOBUTYRYL-COA-atom23 3-HYDROXY-ISOBUTYRYL-COA-atom56" order="1"/> <bond id="3-HYDROXY-ISOBUTYRYL-COA-bond39" atomRefs="3-HYDROXY-ISOBUTYRYL-COA-atom22 3-HYDROXY-ISOBUTYRYL-COA-atom8" order="1"/> <bond id="3-HYDROXY-ISOBUTYRYL-COA-bond40" atomRefs="3-HYDROXY-ISOBUTYRYL-COA-atom21 3-HYDROXY-ISOBUTYRYL-COA-atom46" order="2"/> <bond id="3-HYDROXY-ISOBUTYRYL-COA-bond41" atomRefs="3-HYDROXY-ISOBUTYRYL-COA-atom20 3-HYDROXY-ISOBUTYRYL-COA-atom49" order="2"/> <bond id="3-HYDROXY-ISOBUTYRYL-COA-bond42" atomRefs="3-HYDROXY-ISOBUTYRYL-COA-atom19 3-HYDROXY-ISOBUTYRYL-COA-atom3" order="1"/> <bond id="3-HYDROXY-ISOBUTYRYL-COA-bond43" atomRefs="3-HYDROXY-ISOBUTYRYL-COA-atom18 3-HYDROXY-ISOBUTYRYL-COA-atom43" order="1"/> <bond id="3-HYDROXY-ISOBUTYRYL-COA-bond44" atomRefs="3-HYDROXY-ISOBUTYRYL-COA-atom17 3-HYDROXY-ISOBUTYRYL-COA-atom50" order="1"/> <bond id="3-HYDROXY-ISOBUTYRYL-COA-bond45" atomRefs="3-HYDROXY-ISOBUTYRYL-COA-atom16 3-HYDROXY-ISOBUTYRYL-COA-atom18" order="1"/> <bond id="3-HYDROXY-ISOBUTYRYL-COA-bond46" atomRefs="3-HYDROXY-ISOBUTYRYL-COA-atom15 3-HYDROXY-ISOBUTYRYL-COA-atom26" order="2"/> <bond id="3-HYDROXY-ISOBUTYRYL-COA-bond47" atomRefs="3-HYDROXY-ISOBUTYRYL-COA-atom14 3-HYDROXY-ISOBUTYRYL-COA-atom1" order="1"/> <bond id="3-HYDROXY-ISOBUTYRYL-COA-bond48" atomRefs="3-HYDROXY-ISOBUTYRYL-COA-atom13 3-HYDROXY-ISOBUTYRYL-COA-atom53" order="1"/> <bond id="3-HYDROXY-ISOBUTYRYL-COA-bond49" atomRefs="3-HYDROXY-ISOBUTYRYL-COA-atom12 3-HYDROXY-ISOBUTYRYL-COA-atom42" order="A"/> <bond id="3-HYDROXY-ISOBUTYRYL-COA-bond50" atomRefs="3-HYDROXY-ISOBUTYRYL-COA-atom11 3-HYDROXY-ISOBUTYRYL-COA-atom29" order="2"/> <bond id="3-HYDROXY-ISOBUTYRYL-COA-bond51" atomRefs="3-HYDROXY-ISOBUTYRYL-COA-atom10 3-HYDROXY-ISOBUTYRYL-COA-atom27" order="A"/> <bond id="3-HYDROXY-ISOBUTYRYL-COA-bond52" atomRefs="3-HYDROXY-ISOBUTYRYL-COA-atom9 3-HYDROXY-ISOBUTYRYL-COA-atom26" order="1"/> <bond id="3-HYDROXY-ISOBUTYRYL-COA-bond53" atomRefs="3-HYDROXY-ISOBUTYRYL-COA-atom8 3-HYDROXY-ISOBUTYRYL-COA-atom25" order="1"/> <bond id="3-HYDROXY-ISOBUTYRYL-COA-bond54" atomRefs="3-HYDROXY-ISOBUTYRYL-COA-atom7 3-HYDROXY-ISOBUTYRYL-COA-atom29" order="1"/> <bond id="3-HYDROXY-ISOBUTYRYL-COA-bond55" atomRefs="3-HYDROXY-ISOBUTYRYL-COA-atom6 3-HYDROXY-ISOBUTYRYL-COA-atom8" order="2"/> <bond id="3-HYDROXY-ISOBUTYRYL-COA-bond56" atomRefs="3-HYDROXY-ISOBUTYRYL-COA-atom5 3-HYDROXY-ISOBUTYRYL-COA-atom47" order="A"/> <bond id="3-HYDROXY-ISOBUTYRYL-COA-bond57" atomRefs="3-HYDROXY-ISOBUTYRYL-COA-atom4 3-HYDROXY-ISOBUTYRYL-COA-atom39" order="1"/> <bond id="3-HYDROXY-ISOBUTYRYL-COA-bond58" atomRefs="3-HYDROXY-ISOBUTYRYL-COA-atom2 3-HYDROXY-ISOBUTYRYL-COA-atom46" order="1"/> <bond id="3-HYDROXY-ISOBUTYRYL-COA-bond59" atomRefs="3-HYDROXY-ISOBUTYRYL-COA-atom1 3-HYDROXY-ISOBUTYRYL-COA-atom27" order="1"/> <bond id="3-HYDROXY-ISOBUTYRYL-COA-bond60" atomRefs="3-HYDROXY-ISOBUTYRYL-COA-atom1 3-HYDROXY-ISOBUTYRYL-COA-atom3" order="1"/> <formula concise="C 25 H 42 N 7 O 18 P 3 S 1" formalCharge="0"/> 853.624 [CH]3(n1(c2(c(nc1)c(N)ncn2)))(O[CH]([CH]([CH](O)3)OP(=O)(O)O)COP(O)(=O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)C(C)CO)
<atom id="5-AMINO-LEVULINATE-atom1" elementType="N" x2="-1.0" y2="-0.43564"/> <atom id="5-AMINO-LEVULINATE-atom2" elementType="C" x2="-0.66997" y2="-0.62706"/> <atom id="5-AMINO-LEVULINATE-atom3" elementType="C" x2="0.66007" y2="-0.61716"/> <atom id="5-AMINO-LEVULINATE-atom4" elementType="O" x2="0.9967" y2="-0.43234"/> <atom id="5-AMINO-LEVULINATE-atom5" elementType="C" x2="-0.33993" y2="-0.44554"/> <atom id="5-AMINO-LEVULINATE-atom6" elementType="O" x2="0.66007" y2="-1.0"/> <atom id="5-AMINO-LEVULINATE-atom7" elementType="C" x2="-0.0132" y2="-0.63036"/> <atom id="5-AMINO-LEVULINATE-atom8" elementType="O" x2="-0.33993" y2="-0.06271"/> <atom id="5-AMINO-LEVULINATE-atom9" elementType="C" x2="0.31683" y2="-0.44884"/> <bond id="5-AMINO-LEVULINATE-bond1" atomRefs="5-AMINO-LEVULINATE-atom9 5-AMINO-LEVULINATE-atom3" order="1"/> <bond id="5-AMINO-LEVULINATE-bond2" atomRefs="5-AMINO-LEVULINATE-atom8 5-AMINO-LEVULINATE-atom5" order="2"/> <bond id="5-AMINO-LEVULINATE-bond3" atomRefs="5-AMINO-LEVULINATE-atom7 5-AMINO-LEVULINATE-atom9" order="1"/> <bond id="5-AMINO-LEVULINATE-bond4" atomRefs="5-AMINO-LEVULINATE-atom6 5-AMINO-LEVULINATE-atom3" order="2"/> <bond id="5-AMINO-LEVULINATE-bond5" atomRefs="5-AMINO-LEVULINATE-atom5 5-AMINO-LEVULINATE-atom7" order="1"/> <bond id="5-AMINO-LEVULINATE-bond6" atomRefs="5-AMINO-LEVULINATE-atom4 5-AMINO-LEVULINATE-atom3" order="1"/> <bond id="5-AMINO-LEVULINATE-bond7" atomRefs="5-AMINO-LEVULINATE-atom2 5-AMINO-LEVULINATE-atom5" order="1"/> <bond id="5-AMINO-LEVULINATE-bond8" atomRefs="5-AMINO-LEVULINATE-atom1 5-AMINO-LEVULINATE-atom2" order="1"/> <formula concise="C 5 H 9 N 1 O 3" formalCharge="0"/> 131.131 C(N)C(=O)CCC(=O)O Pentanoic acid, 5-amino-4-oxo-
<atom id="PORPHOBILINOGEN-atom1" elementType="C" x2="-0.0133" y2="-0.3314"/> <atom id="PORPHOBILINOGEN-atom2" elementType="C" x2="-0.8378" y2="-0.3034"/> <atom id="PORPHOBILINOGEN-atom3" elementType="C" x2="-1.0659" y2="0.4894"/> <atom id="PORPHOBILINOGEN-atom4" elementType="C" x2="0.2681" y2="0.4441"/> <atom id="PORPHOBILINOGEN-atom5" elementType="C" x2="-1.8414" y2="0.7708"/> <atom id="PORPHOBILINOGEN-atom6" elementType="C" x2="0.4487" y2="-1.0149"/> <atom id="PORPHOBILINOGEN-atom7" elementType="C" x2="0.0878" y2="-1.7568"/> <atom id="PORPHOBILINOGEN-atom8" elementType="C" x2="0.5498" y2="-2.4403"/> <atom id="PORPHOBILINOGEN-atom9" elementType="N" x2="-1.9855" y2="1.5831"/> <atom id="PORPHOBILINOGEN-atom10" elementType="N" x2="-0.3824" y2="0.9514"/> <atom id="PORPHOBILINOGEN-atom11" elementType="C" x2="-1.3451" y2="-0.954"/> <atom id="PORPHOBILINOGEN-atom12" elementType="C" x2="-2.1622" y2="-0.84"/> <atom id="PORPHOBILINOGEN-atom13" elementType="O" x2="0.1888" y2="-3.1822"/> <atom id="PORPHOBILINOGEN-atom14" elementType="O" x2="1.3727" y2="-2.382"/> <atom id="PORPHOBILINOGEN-atom15" elementType="O" x2="-2.6695" y2="-1.4905"/> <atom id="PORPHOBILINOGEN-atom16" elementType="O" x2="-2.4719" y2="-0.0753"/> <bond id="PORPHOBILINOGEN-bond1" atomRefs="PORPHOBILINOGEN-atom12 PORPHOBILINOGEN-atom16" order="1"/> <bond id="PORPHOBILINOGEN-bond2" atomRefs="PORPHOBILINOGEN-atom12 PORPHOBILINOGEN-atom15" order="2"/> <bond id="PORPHOBILINOGEN-bond3" atomRefs="PORPHOBILINOGEN-atom11 PORPHOBILINOGEN-atom12" order="1"/> <bond id="PORPHOBILINOGEN-bond4" atomRefs="PORPHOBILINOGEN-atom2 PORPHOBILINOGEN-atom11" order="1"/> <bond id="PORPHOBILINOGEN-bond5" atomRefs="PORPHOBILINOGEN-atom8 PORPHOBILINOGEN-atom14" order="1"/> <bond id="PORPHOBILINOGEN-bond6" atomRefs="PORPHOBILINOGEN-atom8 PORPHOBILINOGEN-atom13" order="2"/> <bond id="PORPHOBILINOGEN-bond7" atomRefs="PORPHOBILINOGEN-atom7 PORPHOBILINOGEN-atom8" order="1"/> <bond id="PORPHOBILINOGEN-bond8" atomRefs="PORPHOBILINOGEN-atom6 PORPHOBILINOGEN-atom7" order="1"/> <bond id="PORPHOBILINOGEN-bond9" atomRefs="PORPHOBILINOGEN-atom1 PORPHOBILINOGEN-atom6" order="1"/> <bond id="PORPHOBILINOGEN-bond10" atomRefs="PORPHOBILINOGEN-atom5 PORPHOBILINOGEN-atom9" order="1"/> <bond id="PORPHOBILINOGEN-bond11" atomRefs="PORPHOBILINOGEN-atom3 PORPHOBILINOGEN-atom5" order="1"/> <bond id="PORPHOBILINOGEN-bond12" atomRefs="PORPHOBILINOGEN-atom4 PORPHOBILINOGEN-atom10" order="A"/> <bond id="PORPHOBILINOGEN-bond13" atomRefs="PORPHOBILINOGEN-atom10 PORPHOBILINOGEN-atom3" order="A"/> <bond id="PORPHOBILINOGEN-bond14" atomRefs="PORPHOBILINOGEN-atom3 PORPHOBILINOGEN-atom2" order="A"/> <bond id="PORPHOBILINOGEN-bond15" atomRefs="PORPHOBILINOGEN-atom1 PORPHOBILINOGEN-atom4" order="A"/> <bond id="PORPHOBILINOGEN-bond16" atomRefs="PORPHOBILINOGEN-atom2 PORPHOBILINOGEN-atom1" order="A"/> <formula concise="C 10 H 13 N 2 O 4" formalCharge="0"/> 226.232 c1(c(CCC(O)=O)c(CC(O)=O)c(n1)CN)
<atom id="PREPHENATE-atom1" elementType="C" x2="-0.66438" y2="0.12671"/> <atom id="PREPHENATE-atom2" elementType="C" x2="-0.66438" y2="-0.48973"/> <atom id="PREPHENATE-atom3" elementType="C" x2="-0.84589" y2="-0.17808"/> <atom id="PREPHENATE-atom4" elementType="C" x2="-0.13014" y2="-0.17808"/> <atom id="PREPHENATE-atom5" elementType="C" x2="0.65068" y2="-0.65411"/> <atom id="PREPHENATE-atom6" elementType="C" x2="-0.30822" y2="0.12671"/> <atom id="PREPHENATE-atom7" elementType="C" x2="0.14041" y2="0.07877"/> <atom id="PREPHENATE-atom8" elementType="O" x2="0.14041" y2="0.42466"/> <atom id="PREPHENATE-atom9" elementType="O" x2="0.4863" y2="0.07877"/> <atom id="PREPHENATE-atom10" elementType="H" x2="-1.0" y2="-0.03767"/> <atom id="PREPHENATE-atom11" elementType="C" x2="0.14041" y2="-0.41781"/> <atom id="PREPHENATE-atom12" elementType="C" x2="0.5" y2="-0.41781"/> <atom id="PREPHENATE-atom13" elementType="O" x2="0.74658" y2="-0.17466"/> <atom id="PREPHENATE-atom14" elementType="O" x2="0.65068" y2="-1.0"/> <atom id="PREPHENATE-atom15" elementType="C" x2="-0.30822" y2="-0.48973"/> <atom id="PREPHENATE-atom16" elementType="O" x2="-0.9726" y2="-0.34247"/> <atom id="PREPHENATE-atom17" elementType="O" x2="0.99658" y2="-0.65411"/> <bond id="PREPHENATE-bond1" atomRefs="PREPHENATE-atom17 PREPHENATE-atom5" order="1"/> <bond id="PREPHENATE-bond2" atomRefs="PREPHENATE-atom16 PREPHENATE-atom3" order="1"/> <bond id="PREPHENATE-bond3" atomRefs="PREPHENATE-atom15 PREPHENATE-atom4" order="1"/> <bond id="PREPHENATE-bond4" atomRefs="PREPHENATE-atom14 PREPHENATE-atom5" order="2"/> <bond id="PREPHENATE-bond5" atomRefs="PREPHENATE-atom13 PREPHENATE-atom12" order="2"/> <bond id="PREPHENATE-bond6" atomRefs="PREPHENATE-atom12 PREPHENATE-atom11" order="1"/> <bond id="PREPHENATE-bond7" atomRefs="PREPHENATE-atom11 PREPHENATE-atom4" order="1"/> <bond id="PREPHENATE-bond8" atomRefs="PREPHENATE-atom10 PREPHENATE-atom3" order="1"/> <bond id="PREPHENATE-bond9" atomRefs="PREPHENATE-atom9 PREPHENATE-atom7" order="1"/> <bond id="PREPHENATE-bond10" atomRefs="PREPHENATE-atom8 PREPHENATE-atom7" order="2"/> <bond id="PREPHENATE-bond11" atomRefs="PREPHENATE-atom7 PREPHENATE-atom4" order="1"/> <bond id="PREPHENATE-bond12" atomRefs="PREPHENATE-atom6 PREPHENATE-atom4" order="1"/> <bond id="PREPHENATE-bond13" atomRefs="PREPHENATE-atom5 PREPHENATE-atom12" order="1"/> <bond id="PREPHENATE-bond14" atomRefs="PREPHENATE-atom3 PREPHENATE-atom2" order="1"/> <bond id="PREPHENATE-bond15" atomRefs="PREPHENATE-atom2 PREPHENATE-atom15" order="2"/> <bond id="PREPHENATE-bond16" atomRefs="PREPHENATE-atom1 PREPHENATE-atom3" order="1"/> <bond id="PREPHENATE-bond17" atomRefs="PREPHENATE-atom1 PREPHENATE-atom6" order="2"/> <formula concise="C 10 H 10 O 6" formalCharge="0"/> 226.185 C(=O)(O)C(=O)CC1(C(O)=O)(C=C[CH](O)C=C1) Prephenic acid
<atom id="PHENYL-PYRUVATE-atom1" elementType="C" x2="-0.71428573" y2="-0.16326535"/> <atom id="PHENYL-PYRUVATE-atom2" elementType="C" x2="-0.71428573" y2="0.99489796"/> <atom id="PHENYL-PYRUVATE-atom3" elementType="C" x2="-0.71428573" y2="0.24489796"/> <atom id="PHENYL-PYRUVATE-atom4" elementType="O" x2="-0.71428573" y2="-1.0"/> <atom id="PHENYL-PYRUVATE-atom5" elementType="C" x2="-0.45408165" y2="-0.78571427"/> <atom id="PHENYL-PYRUVATE-atom6" elementType="C" x2="-0.43877554" y2="0.7602041"/> <atom id="PHENYL-PYRUVATE-atom7" elementType="O" x2="-0.1836735" y2="-0.17857146"/> <atom id="PHENYL-PYRUVATE-atom8" elementType="C" x2="-0.45408165" y2="-0.38265306"/> <atom id="PHENYL-PYRUVATE-atom9" elementType="C" x2="-1.0" y2="0.44387758"/> <atom id="PHENYL-PYRUVATE-atom10" elementType="C" x2="-0.45408165" y2="0.44387758"/> <atom id="PHENYL-PYRUVATE-atom11" elementType="C" x2="-1.0" y2="0.7602041"/> <atom id="PHENYL-PYRUVATE-atom12" elementType="O" x2="-0.1836735" y2="-0.9744898"/> <bond id="PHENYL-PYRUVATE-bond1" atomRefs="PHENYL-PYRUVATE-atom11 PHENYL-PYRUVATE-atom9" order="A"/> <bond id="PHENYL-PYRUVATE-bond2" atomRefs="PHENYL-PYRUVATE-atom10 PHENYL-PYRUVATE-atom6" order="A"/> <bond id="PHENYL-PYRUVATE-bond3" atomRefs="PHENYL-PYRUVATE-atom9 PHENYL-PYRUVATE-atom3" order="A"/> <bond id="PHENYL-PYRUVATE-bond4" atomRefs="PHENYL-PYRUVATE-atom8 PHENYL-PYRUVATE-atom5" order="1"/> <bond id="PHENYL-PYRUVATE-bond5" atomRefs="PHENYL-PYRUVATE-atom8 PHENYL-PYRUVATE-atom7" order="2"/> <bond id="PHENYL-PYRUVATE-bond6" atomRefs="PHENYL-PYRUVATE-atom6 PHENYL-PYRUVATE-atom2" order="A"/> <bond id="PHENYL-PYRUVATE-bond7" atomRefs="PHENYL-PYRUVATE-atom5 PHENYL-PYRUVATE-atom12" order="1"/> <bond id="PHENYL-PYRUVATE-bond8" atomRefs="PHENYL-PYRUVATE-atom5 PHENYL-PYRUVATE-atom4" order="2"/> <bond id="PHENYL-PYRUVATE-bond9" atomRefs="PHENYL-PYRUVATE-atom3 PHENYL-PYRUVATE-atom1" order="1"/> <bond id="PHENYL-PYRUVATE-bond10" atomRefs="PHENYL-PYRUVATE-atom3 PHENYL-PYRUVATE-atom10" order="A"/> <bond id="PHENYL-PYRUVATE-bond11" atomRefs="PHENYL-PYRUVATE-atom2 PHENYL-PYRUVATE-atom11" order="A"/> <bond id="PHENYL-PYRUVATE-bond12" atomRefs="PHENYL-PYRUVATE-atom1 PHENYL-PYRUVATE-atom8" order="1"/> <formula concise="C 9 H 8 O 3" formalCharge="0"/> 164.16 C(=O)(O)C(=O)Cc1(ccccc1)
<atom id="TIGLYL-COA-atom1" elementType="C" x2="0.89073" y2="-0.26821"/> <atom id="TIGLYL-COA-atom2" elementType="N" x2="-1.0" y2="-0.17881"/> <atom id="TIGLYL-COA-atom3" elementType="C" x2="0.8245" y2="-0.39073"/> <atom id="TIGLYL-COA-atom4" elementType="C" x2="-0.19868" y2="-0.70861"/> <atom id="TIGLYL-COA-atom5" elementType="N" x2="0.61258" y2="0.01656"/> <atom id="TIGLYL-COA-atom6" elementType="O" x2="0.09272" y2="-0.89404"/> <atom id="TIGLYL-COA-atom7" elementType="O" x2="0.72848" y2="-1.0"/> <atom id="TIGLYL-COA-atom8" elementType="C" x2="0.09272" y2="-0.71523"/> <atom id="TIGLYL-COA-atom9" elementType="C" x2="0.36093" y2="-0.70199"/> <atom id="TIGLYL-COA-atom10" elementType="C" x2="0.99669" y2="0.18212"/> <atom id="TIGLYL-COA-atom11" elementType="O" x2="0.54967" y2="-0.82119"/> <atom id="TIGLYL-COA-atom12" elementType="N" x2="0.45695" y2="0.25828"/> <atom id="TIGLYL-COA-atom13" elementType="C" x2="-1.0" y2="-0.62914"/> <atom id="TIGLYL-COA-atom14" elementType="O" x2="0.72185" y2="-0.1755"/> <atom id="TIGLYL-COA-atom15" elementType="O" x2="-0.86424" y2="0.07947"/> <atom id="TIGLYL-COA-atom16" elementType="N" x2="0.59603" y2="0.52318"/> <atom id="TIGLYL-COA-atom17" elementType="O" x2="0.39073" y2="-0.07285"/> <atom id="TIGLYL-COA-atom18" elementType="C" x2="-0.67219" y2="-0.60596"/> <atom id="TIGLYL-COA-atom19" elementType="O" x2="0.8245" y2="-0.49669"/> <atom id="TIGLYL-COA-atom20" elementType="O" x2="-0.10927" y2="0.10596"/> <atom id="TIGLYL-COA-atom21" elementType="O" x2="0.21854" y2="0.10596"/> <atom id="TIGLYL-COA-atom22" elementType="C" x2="0.55629" y2="-0.07285"/> <atom id="TIGLYL-COA-atom23" elementType="H" x2="0.89073" y2="-0.37417"/> <atom id="TIGLYL-COA-atom24" elementType="C" x2="0.59603" y2="0.34437"/> <atom id="TIGLYL-COA-atom25" elementType="O" x2="0.21854" y2="-0.25166"/> <atom id="TIGLYL-COA-atom26" elementType="C" x2="-0.86424" y2="-0.09934"/> <atom id="TIGLYL-COA-atom27" elementType="N" x2="0.89073" y2="0.02318"/> <atom id="TIGLYL-COA-atom28" elementType="C" x2="0.50993" y2="-0.60265"/> <atom id="TIGLYL-COA-atom29" elementType="P" x2="0.72848" y2="-0.82119"/> <atom id="TIGLYL-COA-atom30" elementType="O" x2="-0.31457" y2="-0.07285"/> <atom id="TIGLYL-COA-atom31" elementType="O" x2="0.72848" y2="-0.62252"/> <atom id="TIGLYL-COA-atom32" elementType="C" x2="-0.47351" y2="-0.17881"/> <atom id="TIGLYL-COA-atom33" elementType="O" x2="0.04305" y2="-0.07285"/> <atom id="TIGLYL-COA-atom34" elementType="O" x2="-0.10927" y2="-0.25166"/> <atom id="TIGLYL-COA-atom35" elementType="N" x2="-0.52649" y2="-0.70861"/> <atom id="TIGLYL-COA-atom36" elementType="H" x2="0.55629" y2="-0.37417"/> <atom id="TIGLYL-COA-atom37" elementType="C" x2="-0.60265" y2="0.07947"/> <atom id="TIGLYL-COA-atom38" elementType="C" x2="0.73841" y2="0.2649"/> <atom id="TIGLYL-COA-atom39" elementType="C" x2="-0.3543" y2="-0.61258"/> <atom id="TIGLYL-COA-atom40" elementType="O" x2="-0.67219" y2="-0.42715"/> <atom id="TIGLYL-COA-atom41" elementType="O" x2="-0.77152" y2="-0.34768"/> <atom id="TIGLYL-COA-atom42" elementType="C" x2="0.45695" y2="0.09934"/> <atom id="TIGLYL-COA-atom43" elementType="C" x2="-0.87086" y2="-0.71523"/> <atom id="TIGLYL-COA-atom44" elementType="N" x2="0.88079" y2="0.32781"/> <atom id="TIGLYL-COA-atom45" elementType="H" x2="0.62252" y2="-0.28477"/> <atom id="TIGLYL-COA-atom46" elementType="P" x2="0.21854" y2="-0.07285"/> <atom id="TIGLYL-COA-atom47" elementType="C" x2="0.73841" y2="0.10596"/> <atom id="TIGLYL-COA-atom48" elementType="C" x2="0.22848" y2="-0.43377"/> <atom id="TIGLYL-COA-atom49" elementType="P" x2="-0.10927" y2="-0.07285"/> <atom id="TIGLYL-COA-atom50" elementType="C" x2="-0.77152" y2="-0.16887"/> <atom id="TIGLYL-COA-atom51" elementType="C" x2="-0.60265" y2="-0.27815"/> <atom id="TIGLYL-COA-atom52" elementType="C" x2="-0.60265" y2="-0.09934"/> <atom id="TIGLYL-COA-atom53" elementType="C" x2="0.22848" y2="-0.61258"/> <atom id="TIGLYL-COA-atom54" elementType="C" x2="0.55629" y2="-0.26821"/> <atom id="TIGLYL-COA-atom55" elementType="O" x2="0.90728" y2="-0.82119"/> <atom id="TIGLYL-COA-atom56" elementType="C" x2="0.62252" y2="-0.39073"/> <atom id="TIGLYL-COA-atom57" elementType="S" x2="-0.06291" y2="-0.60265"/> <atom id="TIGLYL-COA-atom58" elementType="H" x2="0.8245" y2="-0.28477"/> <bond id="TIGLYL-COA-bond1" atomRefs="TIGLYL-COA-atom58 TIGLYL-COA-atom3" order="1"/> <bond id="TIGLYL-COA-bond2" atomRefs="TIGLYL-COA-atom57 TIGLYL-COA-atom4" order="1"/> <bond id="TIGLYL-COA-bond3" atomRefs="TIGLYL-COA-atom56 TIGLYL-COA-atom31" order="1"/> <bond id="TIGLYL-COA-bond4" atomRefs="TIGLYL-COA-atom56 TIGLYL-COA-atom3" order="1"/> <bond id="TIGLYL-COA-bond5" atomRefs="TIGLYL-COA-atom55 TIGLYL-COA-atom29" order="1"/> <bond id="TIGLYL-COA-bond6" atomRefs="TIGLYL-COA-atom54 TIGLYL-COA-atom14" order="1"/> <bond id="TIGLYL-COA-bond7" atomRefs="TIGLYL-COA-atom54 TIGLYL-COA-atom56" order="1"/> <bond id="TIGLYL-COA-bond8" atomRefs="TIGLYL-COA-atom53 TIGLYL-COA-atom8" order="1"/> <bond id="TIGLYL-COA-bond9" atomRefs="TIGLYL-COA-atom52 TIGLYL-COA-atom32" order="1"/> <bond id="TIGLYL-COA-bond10" atomRefs="TIGLYL-COA-atom51 TIGLYL-COA-atom52" order="1"/> <bond id="TIGLYL-COA-bond11" atomRefs="TIGLYL-COA-atom50 TIGLYL-COA-atom52" order="1"/> <bond id="TIGLYL-COA-bond12" atomRefs="TIGLYL-COA-atom49 TIGLYL-COA-atom33" order="1"/> <bond id="TIGLYL-COA-bond13" atomRefs="TIGLYL-COA-atom48 TIGLYL-COA-atom53" order="1"/> <bond id="TIGLYL-COA-bond14" atomRefs="TIGLYL-COA-atom27 TIGLYL-COA-atom47" order="A"/> <bond id="TIGLYL-COA-bond15" atomRefs="TIGLYL-COA-atom46 TIGLYL-COA-atom17" order="1"/> <bond id="TIGLYL-COA-bond16" atomRefs="TIGLYL-COA-atom45 TIGLYL-COA-atom56" order="1"/> <bond id="TIGLYL-COA-bond17" atomRefs="TIGLYL-COA-atom44 TIGLYL-COA-atom10" order="A"/> <bond id="TIGLYL-COA-bond18" atomRefs="TIGLYL-COA-atom38 TIGLYL-COA-atom44" order="A"/> <bond id="TIGLYL-COA-bond19" atomRefs="TIGLYL-COA-atom43 TIGLYL-COA-atom13" order="1"/> <bond id="TIGLYL-COA-bond20" atomRefs="TIGLYL-COA-atom42 TIGLYL-COA-atom5" order="A"/> <bond id="TIGLYL-COA-bond21" atomRefs="TIGLYL-COA-atom41 TIGLYL-COA-atom50" order="1"/> <bond id="TIGLYL-COA-bond22" atomRefs="TIGLYL-COA-atom40 TIGLYL-COA-atom18" order="2"/> <bond id="TIGLYL-COA-bond23" atomRefs="TIGLYL-COA-atom39 TIGLYL-COA-atom35" order="1"/> <bond id="TIGLYL-COA-bond24" atomRefs="TIGLYL-COA-atom47 TIGLYL-COA-atom38" order="A"/> <bond id="TIGLYL-COA-bond25" atomRefs="TIGLYL-COA-atom37 TIGLYL-COA-atom52" order="1"/> <bond id="TIGLYL-COA-bond26" atomRefs="TIGLYL-COA-atom36 TIGLYL-COA-atom54" order="1"/> <bond id="TIGLYL-COA-bond27" atomRefs="TIGLYL-COA-atom35 TIGLYL-COA-atom18" order="1"/> <bond id="TIGLYL-COA-bond28" atomRefs="TIGLYL-COA-atom34 TIGLYL-COA-atom49" order="1"/> <bond id="TIGLYL-COA-bond29" atomRefs="TIGLYL-COA-atom33 TIGLYL-COA-atom46" order="1"/> <bond id="TIGLYL-COA-bond30" atomRefs="TIGLYL-COA-atom32 TIGLYL-COA-atom30" order="1"/> <bond id="TIGLYL-COA-bond31" atomRefs="TIGLYL-COA-atom30 TIGLYL-COA-atom49" order="1"/> <bond id="TIGLYL-COA-bond32" atomRefs="TIGLYL-COA-atom29 TIGLYL-COA-atom31" order="1"/> <bond id="TIGLYL-COA-bond33" atomRefs="TIGLYL-COA-atom28 TIGLYL-COA-atom9" order="1"/> <bond id="TIGLYL-COA-bond34" atomRefs="TIGLYL-COA-atom26 TIGLYL-COA-atom50" order="1"/> <bond id="TIGLYL-COA-bond35" atomRefs="TIGLYL-COA-atom25 TIGLYL-COA-atom46" order="1"/> <bond id="TIGLYL-COA-bond36" atomRefs="TIGLYL-COA-atom38 TIGLYL-COA-atom24" order="A"/> <bond id="TIGLYL-COA-bond37" atomRefs="TIGLYL-COA-atom24 TIGLYL-COA-atom12" order="A"/> <bond id="TIGLYL-COA-bond38" atomRefs="TIGLYL-COA-atom23 TIGLYL-COA-atom1" order="1"/> <bond id="TIGLYL-COA-bond39" atomRefs="TIGLYL-COA-atom22 TIGLYL-COA-atom54" order="1"/> <bond id="TIGLYL-COA-bond40" atomRefs="TIGLYL-COA-atom21 TIGLYL-COA-atom46" order="2"/> <bond id="TIGLYL-COA-bond41" atomRefs="TIGLYL-COA-atom20 TIGLYL-COA-atom49" order="2"/> <bond id="TIGLYL-COA-bond42" atomRefs="TIGLYL-COA-atom19 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id="TIGLYL-COA-bond54" atomRefs="TIGLYL-COA-atom7 TIGLYL-COA-atom29" order="1"/> <bond id="TIGLYL-COA-bond55" atomRefs="TIGLYL-COA-atom6 TIGLYL-COA-atom8" order="2"/> <bond id="TIGLYL-COA-bond56" atomRefs="TIGLYL-COA-atom5 TIGLYL-COA-atom47" order="A"/> <bond id="TIGLYL-COA-bond57" atomRefs="TIGLYL-COA-atom4 TIGLYL-COA-atom39" order="1"/> <bond id="TIGLYL-COA-bond58" atomRefs="TIGLYL-COA-atom2 TIGLYL-COA-atom26" order="1"/> <bond id="TIGLYL-COA-bond59" atomRefs="TIGLYL-COA-atom1 TIGLYL-COA-atom27" order="1"/> <bond id="TIGLYL-COA-bond60" atomRefs="TIGLYL-COA-atom1 TIGLYL-COA-atom3" order="1"/> <formula concise="C 26 H 42 N 7 O 17 P 3 S 1" formalCharge="0"/> 849.636 [CH]3(n1(c2(c(nc1)c(N)ncn2)))(O[CH]([CH]([CH](O)3)OP(=O)(O)O)COP(=O)(O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)C(C)=CC) Coenzyme A, S-(2-methyl-2-butenoate), (E)-
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id="2-METHYL-3-HYDROXY-BUTYRYL-COA-bond17" atomRefs="2-METHYL-3-HYDROXY-BUTYRYL-COA-atom45 2-METHYL-3-HYDROXY-BUTYRYL-COA-atom10" order="A"/> <bond id="2-METHYL-3-HYDROXY-BUTYRYL-COA-bond18" atomRefs="2-METHYL-3-HYDROXY-BUTYRYL-COA-atom39 2-METHYL-3-HYDROXY-BUTYRYL-COA-atom45" order="A"/> <bond id="2-METHYL-3-HYDROXY-BUTYRYL-COA-bond19" atomRefs="2-METHYL-3-HYDROXY-BUTYRYL-COA-atom44 2-METHYL-3-HYDROXY-BUTYRYL-COA-atom13" order="1"/> <bond id="2-METHYL-3-HYDROXY-BUTYRYL-COA-bond20" atomRefs="2-METHYL-3-HYDROXY-BUTYRYL-COA-atom43 2-METHYL-3-HYDROXY-BUTYRYL-COA-atom5" order="A"/> <bond id="2-METHYL-3-HYDROXY-BUTYRYL-COA-bond21" atomRefs="2-METHYL-3-HYDROXY-BUTYRYL-COA-atom42 2-METHYL-3-HYDROXY-BUTYRYL-COA-atom51" order="1"/> <bond id="2-METHYL-3-HYDROXY-BUTYRYL-COA-bond22" atomRefs="2-METHYL-3-HYDROXY-BUTYRYL-COA-atom41 2-METHYL-3-HYDROXY-BUTYRYL-COA-atom18" order="2"/> <bond id="2-METHYL-3-HYDROXY-BUTYRYL-COA-bond23" atomRefs="2-METHYL-3-HYDROXY-BUTYRYL-COA-atom40 2-METHYL-3-HYDROXY-BUTYRYL-COA-atom36" order="1"/> <bond id="2-METHYL-3-HYDROXY-BUTYRYL-COA-bond24" atomRefs="2-METHYL-3-HYDROXY-BUTYRYL-COA-atom48 2-METHYL-3-HYDROXY-BUTYRYL-COA-atom39" order="A"/> <bond id="2-METHYL-3-HYDROXY-BUTYRYL-COA-bond25" atomRefs="2-METHYL-3-HYDROXY-BUTYRYL-COA-atom38 2-METHYL-3-HYDROXY-BUTYRYL-COA-atom12" order="1"/> <bond id="2-METHYL-3-HYDROXY-BUTYRYL-COA-bond26" atomRefs="2-METHYL-3-HYDROXY-BUTYRYL-COA-atom37 2-METHYL-3-HYDROXY-BUTYRYL-COA-atom25" order="1"/> <bond id="2-METHYL-3-HYDROXY-BUTYRYL-COA-bond27" atomRefs="2-METHYL-3-HYDROXY-BUTYRYL-COA-atom36 2-METHYL-3-HYDROXY-BUTYRYL-COA-atom18" order="1"/> <bond id="2-METHYL-3-HYDROXY-BUTYRYL-COA-bond28" atomRefs="2-METHYL-3-HYDROXY-BUTYRYL-COA-atom35 2-METHYL-3-HYDROXY-BUTYRYL-COA-atom7" order="1"/> <bond id="2-METHYL-3-HYDROXY-BUTYRYL-COA-bond29" atomRefs="2-METHYL-3-HYDROXY-BUTYRYL-COA-atom34 2-METHYL-3-HYDROXY-BUTYRYL-COA-atom50" order="1"/> <bond id="2-METHYL-3-HYDROXY-BUTYRYL-COA-bond30" atomRefs="2-METHYL-3-HYDROXY-BUTYRYL-COA-atom33 2-METHYL-3-HYDROXY-BUTYRYL-COA-atom47" order="1"/> <bond id="2-METHYL-3-HYDROXY-BUTYRYL-COA-bond31" atomRefs="2-METHYL-3-HYDROXY-BUTYRYL-COA-atom32 2-METHYL-3-HYDROXY-BUTYRYL-COA-atom30" order="1"/> <bond id="2-METHYL-3-HYDROXY-BUTYRYL-COA-bond32" atomRefs="2-METHYL-3-HYDROXY-BUTYRYL-COA-atom31 2-METHYL-3-HYDROXY-BUTYRYL-COA-atom55" order="1"/> <bond id="2-METHYL-3-HYDROXY-BUTYRYL-COA-bond33" atomRefs="2-METHYL-3-HYDROXY-BUTYRYL-COA-atom30 2-METHYL-3-HYDROXY-BUTYRYL-COA-atom50" order="1"/> <bond id="2-METHYL-3-HYDROXY-BUTYRYL-COA-bond34" atomRefs="2-METHYL-3-HYDROXY-BUTYRYL-COA-atom28 2-METHYL-3-HYDROXY-BUTYRYL-COA-atom54" order="1"/> <bond id="2-METHYL-3-HYDROXY-BUTYRYL-COA-bond35" atomRefs="2-METHYL-3-HYDROXY-BUTYRYL-COA-atom26 2-METHYL-3-HYDROXY-BUTYRYL-COA-atom43" order="A"/> <bond id="2-METHYL-3-HYDROXY-BUTYRYL-COA-bond36" atomRefs="2-METHYL-3-HYDROXY-BUTYRYL-COA-atom25 2-METHYL-3-HYDROXY-BUTYRYL-COA-atom12" order="1"/> <bond id="2-METHYL-3-HYDROXY-BUTYRYL-COA-bond37" atomRefs="2-METHYL-3-HYDROXY-BUTYRYL-COA-atom39 2-METHYL-3-HYDROXY-BUTYRYL-COA-atom24" order="A"/> <bond id="2-METHYL-3-HYDROXY-BUTYRYL-COA-bond38" atomRefs="2-METHYL-3-HYDROXY-BUTYRYL-COA-atom24 2-METHYL-3-HYDROXY-BUTYRYL-COA-atom26" order="A"/> <bond id="2-METHYL-3-HYDROXY-BUTYRYL-COA-bond39" atomRefs="2-METHYL-3-HYDROXY-BUTYRYL-COA-atom23 2-METHYL-3-HYDROXY-BUTYRYL-COA-atom1" order="1"/> <bond id="2-METHYL-3-HYDROXY-BUTYRYL-COA-bond40" atomRefs="2-METHYL-3-HYDROXY-BUTYRYL-COA-atom22 2-METHYL-3-HYDROXY-BUTYRYL-COA-atom55" order="1"/> <bond id="2-METHYL-3-HYDROXY-BUTYRYL-COA-bond41" atomRefs="2-METHYL-3-HYDROXY-BUTYRYL-COA-atom21 2-METHYL-3-HYDROXY-BUTYRYL-COA-atom47" order="2"/> <bond id="2-METHYL-3-HYDROXY-BUTYRYL-COA-bond42" atomRefs="2-METHYL-3-HYDROXY-BUTYRYL-COA-atom20 2-METHYL-3-HYDROXY-BUTYRYL-COA-atom50" order="2"/> <bond id="2-METHYL-3-HYDROXY-BUTYRYL-COA-bond43" atomRefs="2-METHYL-3-HYDROXY-BUTYRYL-COA-atom19 2-METHYL-3-HYDROXY-BUTYRYL-COA-atom3" order="1"/> <bond id="2-METHYL-3-HYDROXY-BUTYRYL-COA-bond44" atomRefs="2-METHYL-3-HYDROXY-BUTYRYL-COA-atom18 2-METHYL-3-HYDROXY-BUTYRYL-COA-atom44" order="1"/> <bond id="2-METHYL-3-HYDROXY-BUTYRYL-COA-bond45" atomRefs="2-METHYL-3-HYDROXY-BUTYRYL-COA-atom17 2-METHYL-3-HYDROXY-BUTYRYL-COA-atom22" order="1"/> <bond id="2-METHYL-3-HYDROXY-BUTYRYL-COA-bond46" atomRefs="2-METHYL-3-HYDROXY-BUTYRYL-COA-atom16 2-METHYL-3-HYDROXY-BUTYRYL-COA-atom24" order="1"/> <bond id="2-METHYL-3-HYDROXY-BUTYRYL-COA-bond47" atomRefs="2-METHYL-3-HYDROXY-BUTYRYL-COA-atom15 2-METHYL-3-HYDROXY-BUTYRYL-COA-atom53" order="2"/> <bond id="2-METHYL-3-HYDROXY-BUTYRYL-COA-bond48" atomRefs="2-METHYL-3-HYDROXY-BUTYRYL-COA-atom14 2-METHYL-3-HYDROXY-BUTYRYL-COA-atom1" order="1"/> <bond id="2-METHYL-3-HYDROXY-BUTYRYL-COA-bond49" atomRefs="2-METHYL-3-HYDROXY-BUTYRYL-COA-atom13 2-METHYL-3-HYDROXY-BUTYRYL-COA-atom9" order="1"/> <bond id="2-METHYL-3-HYDROXY-BUTYRYL-COA-bond50" atomRefs="2-METHYL-3-HYDROXY-BUTYRYL-COA-atom12 2-METHYL-3-HYDROXY-BUTYRYL-COA-atom8" order="1"/> <bond id="2-METHYL-3-HYDROXY-BUTYRYL-COA-bond51" atomRefs="2-METHYL-3-HYDROXY-BUTYRYL-COA-atom11 2-METHYL-3-HYDROXY-BUTYRYL-COA-atom7" order="1"/> <bond id="2-METHYL-3-HYDROXY-BUTYRYL-COA-bond52" atomRefs="2-METHYL-3-HYDROXY-BUTYRYL-COA-atom10 2-METHYL-3-HYDROXY-BUTYRYL-COA-atom27" order="A"/> <bond id="2-METHYL-3-HYDROXY-BUTYRYL-COA-bond53" atomRefs="2-METHYL-3-HYDROXY-BUTYRYL-COA-atom9 2-METHYL-3-HYDROXY-BUTYRYL-COA-atom53" order="1"/> <bond id="2-METHYL-3-HYDROXY-BUTYRYL-COA-bond54" atomRefs="2-METHYL-3-HYDROXY-BUTYRYL-COA-atom8 2-METHYL-3-HYDROXY-BUTYRYL-COA-atom58" order="1"/> <bond id="2-METHYL-3-HYDROXY-BUTYRYL-COA-bond55" atomRefs="2-METHYL-3-HYDROXY-BUTYRYL-COA-atom7 2-METHYL-3-HYDROXY-BUTYRYL-COA-atom29" order="1"/> <bond id="2-METHYL-3-HYDROXY-BUTYRYL-COA-bond56" atomRefs="2-METHYL-3-HYDROXY-BUTYRYL-COA-atom6 2-METHYL-3-HYDROXY-BUTYRYL-COA-atom8" order="2"/> <bond id="2-METHYL-3-HYDROXY-BUTYRYL-COA-bond57" atomRefs="2-METHYL-3-HYDROXY-BUTYRYL-COA-atom5 2-METHYL-3-HYDROXY-BUTYRYL-COA-atom48" order="A"/> <bond id="2-METHYL-3-HYDROXY-BUTYRYL-COA-bond58" atomRefs="2-METHYL-3-HYDROXY-BUTYRYL-COA-atom4 2-METHYL-3-HYDROXY-BUTYRYL-COA-atom40" order="1"/> <bond id="2-METHYL-3-HYDROXY-BUTYRYL-COA-bond59" atomRefs="2-METHYL-3-HYDROXY-BUTYRYL-COA-atom2 2-METHYL-3-HYDROXY-BUTYRYL-COA-atom47" order="1"/> <bond id="2-METHYL-3-HYDROXY-BUTYRYL-COA-bond60" atomRefs="2-METHYL-3-HYDROXY-BUTYRYL-COA-atom1 2-METHYL-3-HYDROXY-BUTYRYL-COA-atom27" order="1"/> <bond id="2-METHYL-3-HYDROXY-BUTYRYL-COA-bond61" atomRefs="2-METHYL-3-HYDROXY-BUTYRYL-COA-atom1 2-METHYL-3-HYDROXY-BUTYRYL-COA-atom3" order="1"/> <formula concise="C 26 H 44 N 7 O 18 P 3 S 1" formalCharge="0"/> 867.651 [CH]3(n1(c2(c(nc1)c(N)ncn2)))(O[CH]([CH]([CH](O)3)OP(O)(=O)O)COP(O)(=O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)C(C)C(O)C)
<atom id="TRP-atom1" elementType="H" x2="2.0564" y2="0.0"/> <atom id="TRP-atom2" elementType="N" x2="4.093" y2="-3.3057"/> <atom id="TRP-atom3" elementType="O" x2="2.6288" y2="-4.0606"/> <atom id="TRP-atom4" elementType="O" x2="1.8936" y2="-2.8178"/> <atom id="TRP-atom5" elementType="C" x2="0.0" y2="-1.6919"/> <atom id="TRP-atom6" elementType="C" x2="0.0" y2="-0.8916"/> <atom id="TRP-atom7" elementType="C" x2="0.6963" y2="-2.1279"/> <atom id="TRP-atom8" elementType="C" x2="0.6963" y2="-0.4491"/> <atom id="TRP-atom9" elementType="C" x2="2.6485" y2="-0.9437"/> <atom id="TRP-atom10" elementType="C" x2="3.3772" y2="-2.0434"/> <atom id="TRP-atom11" elementType="C" x2="2.6288" y2="-3.2147"/> <atom id="TRP-atom12" elementType="C" x2="2.6485" y2="-1.6529"/> <atom id="TRP-atom13" elementType="C" x2="1.451" y2="-1.6529"/> <atom id="TRP-atom14" elementType="C" x2="1.451" y2="-0.9437"/> <atom id="TRP-atom15" elementType="C" x2="3.3772" y2="-2.8568"/> <atom id="TRP-atom16" elementType="N" x2="2.0498" y2="-0.5141"/> <bond id="TRP-bond1" atomRefs="TRP-atom1 TRP-atom16" order="1"/> <bond id="TRP-bond2" atomRefs="TRP-atom15 TRP-atom2" order="1"/> <bond id="TRP-bond3" atomRefs="TRP-atom3 TRP-atom11" order="2"/> <bond id="TRP-bond4" atomRefs="TRP-atom4 TRP-atom11" order="1"/> <bond id="TRP-bond5" atomRefs="TRP-atom5 TRP-atom6" order="A"/> <bond id="TRP-bond6" atomRefs="TRP-atom7 TRP-atom5" order="A"/> <bond id="TRP-bond7" atomRefs="TRP-atom6 TRP-atom8" order="A"/> <bond id="TRP-bond8" atomRefs="TRP-atom13 TRP-atom7" order="A"/> <bond id="TRP-bond9" atomRefs="TRP-atom8 TRP-atom14" order="A"/> <bond id="TRP-bond10" atomRefs="TRP-atom12 TRP-atom9" order="A"/> <bond id="TRP-bond11" atomRefs="TRP-atom9 TRP-atom16" order="A"/> <bond id="TRP-bond12" atomRefs="TRP-atom10 TRP-atom12" order="1"/> <bond id="TRP-bond13" atomRefs="TRP-atom15 TRP-atom10" order="1"/> <bond id="TRP-bond14" atomRefs="TRP-atom11 TRP-atom15" order="1"/> <bond id="TRP-bond15" atomRefs="TRP-atom13 TRP-atom12" order="A"/> <bond id="TRP-bond16" atomRefs="TRP-atom14 TRP-atom13" order="A"/> <bond id="TRP-bond17" atomRefs="TRP-atom16 TRP-atom14" order="A"/> <formula concise="C 11 H 12 N 2 O 2" formalCharge="0"/> 204.228 c1(c(CC(N)C(=O)O)c2(c([nH]1)cccc2))
<atom id="3-ENOLPYRUVYL-SHIKIMATE-5P-atom1" elementType="O" x2="-1.0" y2="-0.81188"/> <atom id="3-ENOLPYRUVYL-SHIKIMATE-5P-atom2" elementType="H" x2="0.16832" y2="-0.9637"/> <atom id="3-ENOLPYRUVYL-SHIKIMATE-5P-atom3" elementType="O" x2="-0.39934" y2="-0.16832"/> <atom id="3-ENOLPYRUVYL-SHIKIMATE-5P-atom4" elementType="O" x2="-0.39934" y2="-0.49175"/> <atom id="3-ENOLPYRUVYL-SHIKIMATE-5P-atom5" elementType="H" x2="-0.39934" y2="0.27393"/> <atom id="3-ENOLPYRUVYL-SHIKIMATE-5P-atom6" elementType="H" x2="0.16172" y2="0.26073"/> <atom id="3-ENOLPYRUVYL-SHIKIMATE-5P-atom7" elementType="O" x2="-0.14191" y2="-0.08581"/> <atom id="3-ENOLPYRUVYL-SHIKIMATE-5P-atom8" elementType="H" x2="0.16832" y2="-0.45215"/> <atom id="3-ENOLPYRUVYL-SHIKIMATE-5P-atom9" elementType="C" x2="-0.39934" y2="0.033"/> <atom id="3-ENOLPYRUVYL-SHIKIMATE-5P-atom10" elementType="C" x2="-0.68977" y2="-0.35644"/> <atom id="3-ENOLPYRUVYL-SHIKIMATE-5P-atom11" elementType="C" x2="0.16832" y2="0.033"/> <atom id="3-ENOLPYRUVYL-SHIKIMATE-5P-atom12" elementType="C" x2="0.46535" y2="-0.35644"/> <atom id="3-ENOLPYRUVYL-SHIKIMATE-5P-atom13" elementType="C" x2="0.80858" y2="-0.35644"/> <atom id="3-ENOLPYRUVYL-SHIKIMATE-5P-atom14" elementType="O" x2="0.9967" y2="-0.06931"/> <atom id="3-ENOLPYRUVYL-SHIKIMATE-5P-atom15" elementType="O" x2="-0.0264" y2="-0.28383"/> <atom id="3-ENOLPYRUVYL-SHIKIMATE-5P-atom16" elementType="C" x2="-0.69967" y2="-0.80858"/> <atom id="3-ENOLPYRUVYL-SHIKIMATE-5P-atom17" elementType="H" x2="-0.68977" y2="-0.08581"/> <atom id="3-ENOLPYRUVYL-SHIKIMATE-5P-atom18" elementType="O" x2="-0.68977" y2="-0.61386"/> <atom id="3-ENOLPYRUVYL-SHIKIMATE-5P-atom19" elementType="P" x2="-0.19802" y2="-0.22442"/> <atom id="3-ENOLPYRUVYL-SHIKIMATE-5P-atom20" elementType="C" x2="-0.83498" y2="-0.71287"/> <atom id="3-ENOLPYRUVYL-SHIKIMATE-5P-atom21" elementType="C" x2="0.16832" y2="-0.73597"/> <atom id="3-ENOLPYRUVYL-SHIKIMATE-5P-atom22" elementType="C" x2="-0.39934" y2="-0.73597"/> <atom id="3-ENOLPYRUVYL-SHIKIMATE-5P-atom23" elementType="H" x2="-0.39934" y2="-0.9637"/> <atom id="3-ENOLPYRUVYL-SHIKIMATE-5P-atom24" elementType="C" x2="-0.69637" y2="-1.0"/> <atom id="3-ENOLPYRUVYL-SHIKIMATE-5P-atom25" elementType="O" x2="-0.26403" y2="-0.36634"/> <atom id="3-ENOLPYRUVYL-SHIKIMATE-5P-atom26" elementType="O" x2="-0.83828" y2="-0.51485"/> <atom id="3-ENOLPYRUVYL-SHIKIMATE-5P-atom27" elementType="O" x2="0.93069" y2="-0.66667"/> <bond id="3-ENOLPYRUVYL-SHIKIMATE-5P-bond1" atomRefs="3-ENOLPYRUVYL-SHIKIMATE-5P-atom27 3-ENOLPYRUVYL-SHIKIMATE-5P-atom13" order="1"/> <bond id="3-ENOLPYRUVYL-SHIKIMATE-5P-bond2" atomRefs="3-ENOLPYRUVYL-SHIKIMATE-5P-atom26 3-ENOLPYRUVYL-SHIKIMATE-5P-atom20" order="2"/> <bond id="3-ENOLPYRUVYL-SHIKIMATE-5P-bond3" atomRefs="3-ENOLPYRUVYL-SHIKIMATE-5P-atom25 3-ENOLPYRUVYL-SHIKIMATE-5P-atom19" order="1"/> <bond id="3-ENOLPYRUVYL-SHIKIMATE-5P-bond4" atomRefs="3-ENOLPYRUVYL-SHIKIMATE-5P-atom24 3-ENOLPYRUVYL-SHIKIMATE-5P-atom16" order="2"/> <bond id="3-ENOLPYRUVYL-SHIKIMATE-5P-bond5" atomRefs="3-ENOLPYRUVYL-SHIKIMATE-5P-atom23 3-ENOLPYRUVYL-SHIKIMATE-5P-atom22" order="1"/> <bond id="3-ENOLPYRUVYL-SHIKIMATE-5P-bond6" atomRefs="3-ENOLPYRUVYL-SHIKIMATE-5P-atom21 3-ENOLPYRUVYL-SHIKIMATE-5P-atom22" order="1"/> <bond id="3-ENOLPYRUVYL-SHIKIMATE-5P-bond7" atomRefs="3-ENOLPYRUVYL-SHIKIMATE-5P-atom20 3-ENOLPYRUVYL-SHIKIMATE-5P-atom16" order="1"/> <bond id="3-ENOLPYRUVYL-SHIKIMATE-5P-bond8" atomRefs="3-ENOLPYRUVYL-SHIKIMATE-5P-atom19 3-ENOLPYRUVYL-SHIKIMATE-5P-atom3" order="1"/> <bond id="3-ENOLPYRUVYL-SHIKIMATE-5P-bond9" atomRefs="3-ENOLPYRUVYL-SHIKIMATE-5P-atom18 3-ENOLPYRUVYL-SHIKIMATE-5P-atom10" order="1"/> <bond id="3-ENOLPYRUVYL-SHIKIMATE-5P-bond10" atomRefs="3-ENOLPYRUVYL-SHIKIMATE-5P-atom17 3-ENOLPYRUVYL-SHIKIMATE-5P-atom10" order="1"/> <bond id="3-ENOLPYRUVYL-SHIKIMATE-5P-bond11" atomRefs="3-ENOLPYRUVYL-SHIKIMATE-5P-atom16 3-ENOLPYRUVYL-SHIKIMATE-5P-atom4" order="1"/> <bond id="3-ENOLPYRUVYL-SHIKIMATE-5P-bond12" atomRefs="3-ENOLPYRUVYL-SHIKIMATE-5P-atom15 3-ENOLPYRUVYL-SHIKIMATE-5P-atom19" order="1"/> <bond id="3-ENOLPYRUVYL-SHIKIMATE-5P-bond13" atomRefs="3-ENOLPYRUVYL-SHIKIMATE-5P-atom14 3-ENOLPYRUVYL-SHIKIMATE-5P-atom13" order="2"/> <bond id="3-ENOLPYRUVYL-SHIKIMATE-5P-bond14" atomRefs="3-ENOLPYRUVYL-SHIKIMATE-5P-atom13 3-ENOLPYRUVYL-SHIKIMATE-5P-atom12" order="1"/> <bond id="3-ENOLPYRUVYL-SHIKIMATE-5P-bond15" atomRefs="3-ENOLPYRUVYL-SHIKIMATE-5P-atom12 3-ENOLPYRUVYL-SHIKIMATE-5P-atom21" order="1"/> <bond id="3-ENOLPYRUVYL-SHIKIMATE-5P-bond16" atomRefs="3-ENOLPYRUVYL-SHIKIMATE-5P-atom12 3-ENOLPYRUVYL-SHIKIMATE-5P-atom11" order="2"/> <bond id="3-ENOLPYRUVYL-SHIKIMATE-5P-bond17" atomRefs="3-ENOLPYRUVYL-SHIKIMATE-5P-atom11 3-ENOLPYRUVYL-SHIKIMATE-5P-atom9" order="1"/> <bond id="3-ENOLPYRUVYL-SHIKIMATE-5P-bond18" atomRefs="3-ENOLPYRUVYL-SHIKIMATE-5P-atom10 3-ENOLPYRUVYL-SHIKIMATE-5P-atom9" order="1"/> <bond id="3-ENOLPYRUVYL-SHIKIMATE-5P-bond19" atomRefs="3-ENOLPYRUVYL-SHIKIMATE-5P-atom10 3-ENOLPYRUVYL-SHIKIMATE-5P-atom22" order="1"/> <bond id="3-ENOLPYRUVYL-SHIKIMATE-5P-bond20" atomRefs="3-ENOLPYRUVYL-SHIKIMATE-5P-atom8 3-ENOLPYRUVYL-SHIKIMATE-5P-atom21" order="1"/> <bond id="3-ENOLPYRUVYL-SHIKIMATE-5P-bond21" atomRefs="3-ENOLPYRUVYL-SHIKIMATE-5P-atom7 3-ENOLPYRUVYL-SHIKIMATE-5P-atom19" order="2"/> <bond id="3-ENOLPYRUVYL-SHIKIMATE-5P-bond22" atomRefs="3-ENOLPYRUVYL-SHIKIMATE-5P-atom6 3-ENOLPYRUVYL-SHIKIMATE-5P-atom11" order="1"/> <bond id="3-ENOLPYRUVYL-SHIKIMATE-5P-bond23" atomRefs="3-ENOLPYRUVYL-SHIKIMATE-5P-atom5 3-ENOLPYRUVYL-SHIKIMATE-5P-atom9" order="1"/> <bond id="3-ENOLPYRUVYL-SHIKIMATE-5P-bond24" atomRefs="3-ENOLPYRUVYL-SHIKIMATE-5P-atom4 3-ENOLPYRUVYL-SHIKIMATE-5P-atom22" order="1"/> <bond id="3-ENOLPYRUVYL-SHIKIMATE-5P-bond25" atomRefs="3-ENOLPYRUVYL-SHIKIMATE-5P-atom3 3-ENOLPYRUVYL-SHIKIMATE-5P-atom9" order="1"/> <bond id="3-ENOLPYRUVYL-SHIKIMATE-5P-bond26" atomRefs="3-ENOLPYRUVYL-SHIKIMATE-5P-atom2 3-ENOLPYRUVYL-SHIKIMATE-5P-atom21" order="1"/> <bond id="3-ENOLPYRUVYL-SHIKIMATE-5P-bond27" atomRefs="3-ENOLPYRUVYL-SHIKIMATE-5P-atom1 3-ENOLPYRUVYL-SHIKIMATE-5P-atom20" order="1"/> <formula concise="C 10 H 13 O 10 P 1" formalCharge="0"/> 324.18 C(=O)(O)C1([CH2][CH](OC(=C)C(=O)O)[CH](O)[CH]([CH]=1)OP(O)(O)=O)
5-enolpyruvylshikimate-3-phosphate phospholyase
<atom id="O-PHOSPHO-L-HOMOSERINE-atom1" elementType="O" x2="0.01449" y2="0.1723"/> <atom id="O-PHOSPHO-L-HOMOSERINE-atom2" elementType="O" x2="-0.83253" y2="-1.0"/> <atom id="O-PHOSPHO-L-HOMOSERINE-atom3" elementType="P" x2="0.01449" y2="0.58454"/> <atom id="O-PHOSPHO-L-HOMOSERINE-atom4" elementType="O" x2="-0.34622" y2="0.58454"/> <atom id="O-PHOSPHO-L-HOMOSERINE-atom5" elementType="O" x2="-0.42351" y2="-0.58776"/> <atom id="O-PHOSPHO-L-HOMOSERINE-atom6" elementType="C" x2="-0.83253" y2="-0.58776"/> <atom id="O-PHOSPHO-L-HOMOSERINE-atom7" elementType="N" x2="-0.42029" y2="-0.16908"/> <atom id="O-PHOSPHO-L-HOMOSERINE-atom8" elementType="O" x2="0.42673" y2="0.58454"/> <atom id="O-PHOSPHO-L-HOMOSERINE-atom9" elementType="O" x2="0.01449" y2="0.99678"/> <atom id="O-PHOSPHO-L-HOMOSERINE-atom10" elementType="C" x2="-0.81643" y2="0.58454"/> <atom id="O-PHOSPHO-L-HOMOSERINE-atom11" elementType="C" x2="-1.0" y2="0.18841"/> <atom id="O-PHOSPHO-L-HOMOSERINE-atom12" elementType="C" x2="-0.83253" y2="-0.16908"/> <bond id="O-PHOSPHO-L-HOMOSERINE-bond1" atomRefs="O-PHOSPHO-L-HOMOSERINE-atom12 O-PHOSPHO-L-HOMOSERINE-atom11" order="1"/> <bond id="O-PHOSPHO-L-HOMOSERINE-bond2" atomRefs="O-PHOSPHO-L-HOMOSERINE-atom11 O-PHOSPHO-L-HOMOSERINE-atom10" order="1"/> <bond id="O-PHOSPHO-L-HOMOSERINE-bond3" atomRefs="O-PHOSPHO-L-HOMOSERINE-atom10 O-PHOSPHO-L-HOMOSERINE-atom4" order="1"/> <bond id="O-PHOSPHO-L-HOMOSERINE-bond4" atomRefs="O-PHOSPHO-L-HOMOSERINE-atom9 O-PHOSPHO-L-HOMOSERINE-atom3" order="2"/> <bond id="O-PHOSPHO-L-HOMOSERINE-bond5" atomRefs="O-PHOSPHO-L-HOMOSERINE-atom8 O-PHOSPHO-L-HOMOSERINE-atom3" order="1"/> <bond id="O-PHOSPHO-L-HOMOSERINE-bond6" atomRefs="O-PHOSPHO-L-HOMOSERINE-atom7 O-PHOSPHO-L-HOMOSERINE-atom12" order="1"/> <bond id="O-PHOSPHO-L-HOMOSERINE-bond7" atomRefs="O-PHOSPHO-L-HOMOSERINE-atom6 O-PHOSPHO-L-HOMOSERINE-atom12" order="1"/> <bond id="O-PHOSPHO-L-HOMOSERINE-bond8" atomRefs="O-PHOSPHO-L-HOMOSERINE-atom5 O-PHOSPHO-L-HOMOSERINE-atom6" order="2"/> <bond id="O-PHOSPHO-L-HOMOSERINE-bond9" atomRefs="O-PHOSPHO-L-HOMOSERINE-atom4 O-PHOSPHO-L-HOMOSERINE-atom3" order="1"/> <bond id="O-PHOSPHO-L-HOMOSERINE-bond10" atomRefs="O-PHOSPHO-L-HOMOSERINE-atom2 O-PHOSPHO-L-HOMOSERINE-atom6" order="1"/> <bond id="O-PHOSPHO-L-HOMOSERINE-bond11" atomRefs="O-PHOSPHO-L-HOMOSERINE-atom1 O-PHOSPHO-L-HOMOSERINE-atom3" order="1"/> <formula concise="C 4 H 10 N 1 O 6 P 1" formalCharge="0"/> 199.1 C(O)(=O)C(N)CCOP(O)(=O)O
<atom id="THR-atom1" elementType="C" x2="-1.0" y2="-0.42525"/> <atom id="THR-atom2" elementType="C" x2="-0.00332" y2="-0.42857"/> <atom id="THR-atom3" elementType="O" x2="0.99668" y2="-0.42525"/> <atom id="THR-atom4" elementType="C" x2="-0.50498" y2="-0.13953"/> <atom id="THR-atom5" elementType="C" x2="0.50166" y2="-0.13953"/> <atom id="THR-atom6" elementType="O" x2="-0.50498" y2="0.43189"/> <atom id="THR-atom7" elementType="O" x2="0.50166" y2="0.43189"/> <atom id="THR-atom8" elementType="N" x2="-0.00332" y2="-1.0"/> <bond id="THR-bond1" atomRefs="THR-atom8 THR-atom2" order="1"/> <bond id="THR-bond2" atomRefs="THR-atom7 THR-atom5" order="2"/> <bond id="THR-bond3" atomRefs="THR-atom6 THR-atom4" order="1"/> <bond id="THR-bond4" atomRefs="THR-atom5 THR-atom2" order="1"/> <bond id="THR-bond5" atomRefs="THR-atom4 THR-atom2" order="1"/> <bond id="THR-bond6" atomRefs="THR-atom3 THR-atom5" order="1"/> <bond id="THR-bond7" atomRefs="THR-atom1 THR-atom4" order="1"/> <formula concise="C 4 H 9 N 1 O 3" formalCharge="0"/> 119.12 CC(O)C(N)C(=O)O
<atom id="PHE-atom1" elementType="C" x2="-0.20392" y2="-0.7292"/> <atom id="PHE-atom2" elementType="C" x2="-0.60522" y2="-0.05057"/> <atom id="PHE-atom3" elementType="C" x2="0.56933" y2="-0.68026"/> <atom id="PHE-atom4" elementType="O" x2="0.26591" y2="-1.0"/> <atom id="PHE-atom5" elementType="C" x2="0.07993" y2="-0.10604"/> <atom id="PHE-atom6" elementType="C" x2="0.49103" y2="-0.27243"/> <atom id="PHE-atom7" elementType="C" x2="-1.0" y2="-0.29201"/> <atom id="PHE-atom8" elementType="C" x2="-0.20392" y2="-0.29201"/> <atom id="PHE-atom9" elementType="O" x2="0.99674" y2="-0.79445"/> <atom id="PHE-atom10" elementType="C" x2="-1.0" y2="-0.7292"/> <atom id="PHE-atom11" elementType="C" x2="-0.60522" y2="-0.98369"/> <atom id="PHE-atom12" elementType="N" x2="0.79772" y2="0.04405"/> <bond id="PHE-bond1" atomRefs="PHE-atom12 PHE-atom6" order="1"/> <bond id="PHE-bond2" atomRefs="PHE-atom11 PHE-atom10" order="A"/> <bond id="PHE-bond3" atomRefs="PHE-atom1 PHE-atom11" order="A"/> <bond id="PHE-bond4" atomRefs="PHE-atom10 PHE-atom7" order="A"/> <bond id="PHE-bond5" atomRefs="PHE-atom9 PHE-atom3" order="2"/> <bond id="PHE-bond6" atomRefs="PHE-atom8 PHE-atom5" order="1"/> <bond id="PHE-bond7" atomRefs="PHE-atom7 PHE-atom2" order="A"/> <bond id="PHE-bond8" atomRefs="PHE-atom6 PHE-atom3" order="1"/> <bond id="PHE-bond9" atomRefs="PHE-atom5 PHE-atom6" order="1"/> <bond id="PHE-bond10" atomRefs="PHE-atom4 PHE-atom3" order="1"/> <bond id="PHE-bond11" atomRefs="PHE-atom2 PHE-atom8" order="A"/> <bond id="PHE-bond12" atomRefs="PHE-atom8 PHE-atom1" order="A"/> <formula concise="C 9 H 11 N 1 O 2" formalCharge="0"/> 165.191 C(O)(=O)C(N)Cc1(ccccc1)
<atom id="L-CYSTATHIONINE-atom1" elementType="C" x2="0.5457063" y2="-0.6260388"/> <atom id="L-CYSTATHIONINE-atom2" elementType="C" x2="-0.1163435" y2="-0.7479224"/> <atom id="L-CYSTATHIONINE-atom3" elementType="S" x2="0.105263114" y2="-0.6260388"/> <atom id="L-CYSTATHIONINE-atom4" elementType="O" x2="0.9972298" y2="-0.6260388"/> <atom id="L-CYSTATHIONINE-atom5" elementType="C" x2="-0.33240998" y2="-0.6260388"/> <atom id="L-CYSTATHIONINE-atom6" elementType="C" x2="-0.5623269" y2="-0.7479224"/> <atom id="L-CYSTATHIONINE-atom7" elementType="N" x2="-0.5623269" y2="-1.0"/> <atom id="L-CYSTATHIONINE-atom8" elementType="O" x2="-0.78116345" y2="-0.3739612"/> <atom id="L-CYSTATHIONINE-atom9" elementType="C" x2="0.33240998" y2="-0.7479224"/> <atom id="L-CYSTATHIONINE-atom10" elementType="C" x2="0.77285314" y2="-0.7479224"/> <atom id="L-CYSTATHIONINE-atom11" elementType="N" x2="0.5457063" y2="-0.3739612"/> <atom id="L-CYSTATHIONINE-atom12" elementType="O" x2="0.77285314" y2="-1.0"/> <atom id="L-CYSTATHIONINE-atom13" elementType="O" x2="-1.0" y2="-0.7479224"/> <atom id="L-CYSTATHIONINE-atom14" elementType="C" x2="-0.78116345" y2="-0.6260388"/> <bond id="L-CYSTATHIONINE-bond1" atomRefs="L-CYSTATHIONINE-atom14 L-CYSTATHIONINE-atom6" order="1"/> <bond id="L-CYSTATHIONINE-bond2" atomRefs="L-CYSTATHIONINE-atom13 L-CYSTATHIONINE-atom14" order="1"/> <bond id="L-CYSTATHIONINE-bond3" atomRefs="L-CYSTATHIONINE-atom12 L-CYSTATHIONINE-atom10" order="2"/> <bond id="L-CYSTATHIONINE-bond4" atomRefs="L-CYSTATHIONINE-atom11 L-CYSTATHIONINE-atom1" order="1"/> <bond id="L-CYSTATHIONINE-bond5" atomRefs="L-CYSTATHIONINE-atom9 L-CYSTATHIONINE-atom1" order="1"/> <bond id="L-CYSTATHIONINE-bond6" atomRefs="L-CYSTATHIONINE-atom8 L-CYSTATHIONINE-atom14" order="2"/> <bond id="L-CYSTATHIONINE-bond7" atomRefs="L-CYSTATHIONINE-atom7 L-CYSTATHIONINE-atom6" order="1"/> <bond id="L-CYSTATHIONINE-bond8" atomRefs="L-CYSTATHIONINE-atom6 L-CYSTATHIONINE-atom5" order="1"/> <bond id="L-CYSTATHIONINE-bond9" atomRefs="L-CYSTATHIONINE-atom5 L-CYSTATHIONINE-atom2" order="1"/> <bond id="L-CYSTATHIONINE-bond10" atomRefs="L-CYSTATHIONINE-atom4 L-CYSTATHIONINE-atom10" order="1"/> <bond id="L-CYSTATHIONINE-bond11" atomRefs="L-CYSTATHIONINE-atom3 L-CYSTATHIONINE-atom9" order="1"/> <bond id="L-CYSTATHIONINE-bond12" atomRefs="L-CYSTATHIONINE-atom2 L-CYSTATHIONINE-atom3" order="1"/> <bond id="L-CYSTATHIONINE-bond13" atomRefs="L-CYSTATHIONINE-atom1 L-CYSTATHIONINE-atom10" order="1"/> <formula concise="C 7 H 14 N 2 O 4 S 1" formalCharge="0"/> 222.259 C(CC(N)C(O)=O)SCC(N)C(=O)O
<atom id="S-LACTOYL-GLUTATHIONE-atom1" elementType="O" x2="0.35197" y2="-0.82895"/> <atom id="S-LACTOYL-GLUTATHIONE-atom2" elementType="N" x2="0.49342" y2="-0.11513"/> <atom id="S-LACTOYL-GLUTATHIONE-atom3" elementType="C" x2="-0.82895" y2="-0.11513"/> <atom id="S-LACTOYL-GLUTATHIONE-atom4" elementType="C" x2="0.65789" y2="-0.21053"/> <atom id="S-LACTOYL-GLUTATHIONE-atom5" elementType="C" x2="-0.49671" y2="-0.11513"/> <atom id="S-LACTOYL-GLUTATHIONE-atom6" elementType="O" x2="-1.0" y2="-0.21382"/> <atom id="S-LACTOYL-GLUTATHIONE-atom7" elementType="N" x2="-0.66447" y2="-0.40789"/> <atom id="S-LACTOYL-GLUTATHIONE-atom8" elementType="C" x2="0.05263" y2="-1.0"/> <atom id="S-LACTOYL-GLUTATHIONE-atom9" elementType="O" x2="0.99671" y2="-0.20395"/> <atom id="S-LACTOYL-GLUTATHIONE-atom10" elementType="C" x2="0.82237" y2="-0.11184"/> <atom id="S-LACTOYL-GLUTATHIONE-atom11" elementType="C" x2="0.32566" y2="-0.21053"/> <atom id="S-LACTOYL-GLUTATHIONE-atom12" elementType="S" x2="0.15461" y2="-0.51974"/> <atom id="S-LACTOYL-GLUTATHIONE-atom13" elementType="N" x2="-0.00329" y2="-0.21053"/> <atom id="S-LACTOYL-GLUTATHIONE-atom14" elementType="C" x2="0.16118" y2="-0.11513"/> <atom id="S-LACTOYL-GLUTATHIONE-atom15" elementType="C" x2="-0.33553" y2="-0.21053"/> <atom id="S-LACTOYL-GLUTATHIONE-atom16" elementType="O" x2="0.32566" y2="-0.40789"/> <atom id="S-LACTOYL-GLUTATHIONE-atom17" elementType="C" x2="0.04605" y2="-0.67763"/> <atom id="S-LACTOYL-GLUTATHIONE-atom18" elementType="O" x2="-0.17105" y2="0.08224"/> <atom id="S-LACTOYL-GLUTATHIONE-atom19" elementType="C" x2="0.09211" y2="-0.32895"/> <atom id="S-LACTOYL-GLUTATHIONE-atom20" elementType="C" x2="-0.66447" y2="-0.21053"/> <atom id="S-LACTOYL-GLUTATHIONE-atom21" elementType="O" x2="0.82237" y2="0.08553"/> <atom id="S-LACTOYL-GLUTATHIONE-atom22" elementType="C" x2="0.15461" y2="-0.82895"/> <atom id="S-LACTOYL-GLUTATHIONE-atom23" elementType="O" x2="-0.82895" y2="0.08224"/> <atom id="S-LACTOYL-GLUTATHIONE-atom24" elementType="O" x2="-0.15132" y2="-0.67763"/> <atom id="S-LACTOYL-GLUTATHIONE-atom25" elementType="C" x2="-0.17105" y2="-0.11513"/> <bond id="S-LACTOYL-GLUTATHIONE-bond1" atomRefs="S-LACTOYL-GLUTATHIONE-atom25 S-LACTOYL-GLUTATHIONE-atom13" order="1"/> <bond id="S-LACTOYL-GLUTATHIONE-bond2" atomRefs="S-LACTOYL-GLUTATHIONE-atom24 S-LACTOYL-GLUTATHIONE-atom17" order="2"/> <bond id="S-LACTOYL-GLUTATHIONE-bond3" atomRefs="S-LACTOYL-GLUTATHIONE-atom23 S-LACTOYL-GLUTATHIONE-atom3" order="2"/> <bond id="S-LACTOYL-GLUTATHIONE-bond4" atomRefs="S-LACTOYL-GLUTATHIONE-atom22 S-LACTOYL-GLUTATHIONE-atom17" order="1"/> <bond id="S-LACTOYL-GLUTATHIONE-bond5" atomRefs="S-LACTOYL-GLUTATHIONE-atom21 S-LACTOYL-GLUTATHIONE-atom10" order="2"/> <bond id="S-LACTOYL-GLUTATHIONE-bond6" atomRefs="S-LACTOYL-GLUTATHIONE-atom20 S-LACTOYL-GLUTATHIONE-atom5" order="1"/> <bond id="S-LACTOYL-GLUTATHIONE-bond7" atomRefs="S-LACTOYL-GLUTATHIONE-atom19 S-LACTOYL-GLUTATHIONE-atom14" order="1"/> <bond id="S-LACTOYL-GLUTATHIONE-bond8" atomRefs="S-LACTOYL-GLUTATHIONE-atom18 S-LACTOYL-GLUTATHIONE-atom25" order="2"/> <bond id="S-LACTOYL-GLUTATHIONE-bond9" atomRefs="S-LACTOYL-GLUTATHIONE-atom17 S-LACTOYL-GLUTATHIONE-atom12" order="1"/> <bond id="S-LACTOYL-GLUTATHIONE-bond10" atomRefs="S-LACTOYL-GLUTATHIONE-atom16 S-LACTOYL-GLUTATHIONE-atom11" order="2"/> <bond id="S-LACTOYL-GLUTATHIONE-bond11" atomRefs="S-LACTOYL-GLUTATHIONE-atom15 S-LACTOYL-GLUTATHIONE-atom25" order="1"/> <bond id="S-LACTOYL-GLUTATHIONE-bond12" atomRefs="S-LACTOYL-GLUTATHIONE-atom13 S-LACTOYL-GLUTATHIONE-atom14" order="1"/> <bond id="S-LACTOYL-GLUTATHIONE-bond13" atomRefs="S-LACTOYL-GLUTATHIONE-atom12 S-LACTOYL-GLUTATHIONE-atom19" order="1"/> <bond id="S-LACTOYL-GLUTATHIONE-bond14" atomRefs="S-LACTOYL-GLUTATHIONE-atom11 S-LACTOYL-GLUTATHIONE-atom14" order="1"/> <bond id="S-LACTOYL-GLUTATHIONE-bond15" atomRefs="S-LACTOYL-GLUTATHIONE-atom10 S-LACTOYL-GLUTATHIONE-atom4" order="1"/> <bond id="S-LACTOYL-GLUTATHIONE-bond16" atomRefs="S-LACTOYL-GLUTATHIONE-atom9 S-LACTOYL-GLUTATHIONE-atom10" order="1"/> <bond id="S-LACTOYL-GLUTATHIONE-bond17" atomRefs="S-LACTOYL-GLUTATHIONE-atom8 S-LACTOYL-GLUTATHIONE-atom22" order="1"/> <bond id="S-LACTOYL-GLUTATHIONE-bond18" atomRefs="S-LACTOYL-GLUTATHIONE-atom7 S-LACTOYL-GLUTATHIONE-atom20" order="1"/> <bond id="S-LACTOYL-GLUTATHIONE-bond19" atomRefs="S-LACTOYL-GLUTATHIONE-atom6 S-LACTOYL-GLUTATHIONE-atom3" order="1"/> <bond id="S-LACTOYL-GLUTATHIONE-bond20" atomRefs="S-LACTOYL-GLUTATHIONE-atom5 S-LACTOYL-GLUTATHIONE-atom15" order="1"/> <bond id="S-LACTOYL-GLUTATHIONE-bond21" atomRefs="S-LACTOYL-GLUTATHIONE-atom4 S-LACTOYL-GLUTATHIONE-atom2" order="1"/> <bond id="S-LACTOYL-GLUTATHIONE-bond22" atomRefs="S-LACTOYL-GLUTATHIONE-atom3 S-LACTOYL-GLUTATHIONE-atom20" order="1"/> <bond id="S-LACTOYL-GLUTATHIONE-bond23" atomRefs="S-LACTOYL-GLUTATHIONE-atom2 S-LACTOYL-GLUTATHIONE-atom11" order="1"/> <bond id="S-LACTOYL-GLUTATHIONE-bond24" atomRefs="S-LACTOYL-GLUTATHIONE-atom1 S-LACTOYL-GLUTATHIONE-atom22" order="1"/> <formula concise="C 13 H 21 N 3 O 8 S 1" formalCharge="0"/> 379.384 C(O)(=O)C(N)CCC(=O)NC(CSC(=O)C(C)O)C(=O)NCC(=O)O
<atom id="METHYL-GLYOXAL-atom1" elementType="O" x2="-0.33223" y2="0.14711"/> <atom id="METHYL-GLYOXAL-atom2" elementType="C" x2="0.32893" y2="-0.99669"/> <atom id="METHYL-GLYOXAL-atom3" elementType="O" x2="0.99669" y2="-0.62314"/> <atom id="METHYL-GLYOXAL-atom4" elementType="C" x2="-0.33223" y2="-0.61983"/> <atom id="METHYL-GLYOXAL-atom5" elementType="C" x2="-1.0" y2="-1.0"/> <bond id="METHYL-GLYOXAL-bond1" atomRefs="METHYL-GLYOXAL-atom5 METHYL-GLYOXAL-atom4" order="1"/> <bond id="METHYL-GLYOXAL-bond2" atomRefs="METHYL-GLYOXAL-atom4 METHYL-GLYOXAL-atom1" order="2"/> <bond id="METHYL-GLYOXAL-bond3" atomRefs="METHYL-GLYOXAL-atom3 METHYL-GLYOXAL-atom2" order="2"/> <bond id="METHYL-GLYOXAL-bond4" atomRefs="METHYL-GLYOXAL-atom2 METHYL-GLYOXAL-atom4" order="1"/> <formula concise="C 3 H 4 O 2" formalCharge="0"/> 72.063 C(=O)C(C)=O
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id="UDP-N-ACETYL-D-GLUCOSAMINE-atom35" elementType="O" x2="0.002" y2="-3.3047"/> <atom id="UDP-N-ACETYL-D-GLUCOSAMINE-atom36" elementType="O" x2="8.3416" y2="-3.9046"/> <atom id="UDP-N-ACETYL-D-GLUCOSAMINE-atom37" elementType="C" x2="2.8558" y2="-0.006"/> <atom id="UDP-N-ACETYL-D-GLUCOSAMINE-atom38" elementType="C" x2="3.5711" y2="0.4051"/> <atom id="UDP-N-ACETYL-D-GLUCOSAMINE-atom39" elementType="N" x2="2.8542" y2="-0.831"/> <atom id="UDP-N-ACETYL-D-GLUCOSAMINE-atom40" elementType="O" x2="2.1422" y2="0.4078"/> <bond id="UDP-N-ACETYL-D-GLUCOSAMINE-bond1" atomRefs="UDP-N-ACETYL-D-GLUCOSAMINE-atom37 UDP-N-ACETYL-D-GLUCOSAMINE-atom40" order="2"/> <bond id="UDP-N-ACETYL-D-GLUCOSAMINE-bond2" atomRefs="UDP-N-ACETYL-D-GLUCOSAMINE-atom37 UDP-N-ACETYL-D-GLUCOSAMINE-atom38" order="1"/> <bond id="UDP-N-ACETYL-D-GLUCOSAMINE-bond3" atomRefs="UDP-N-ACETYL-D-GLUCOSAMINE-atom39 UDP-N-ACETYL-D-GLUCOSAMINE-atom37" order="1"/> <bond id="UDP-N-ACETYL-D-GLUCOSAMINE-bond4" atomRefs="UDP-N-ACETYL-D-GLUCOSAMINE-atom30 UDP-N-ACETYL-D-GLUCOSAMINE-atom12" order="1"/> <bond id="UDP-N-ACETYL-D-GLUCOSAMINE-bond5" atomRefs="UDP-N-ACETYL-D-GLUCOSAMINE-atom34 UDP-N-ACETYL-D-GLUCOSAMINE-atom35" order="1"/> <bond id="UDP-N-ACETYL-D-GLUCOSAMINE-bond6" atomRefs="UDP-N-ACETYL-D-GLUCOSAMINE-atom1 UDP-N-ACETYL-D-GLUCOSAMINE-atom31" order="1"/> <bond id="UDP-N-ACETYL-D-GLUCOSAMINE-bond7" atomRefs="UDP-N-ACETYL-D-GLUCOSAMINE-atom23 UDP-N-ACETYL-D-GLUCOSAMINE-atom34" order="1"/> <bond id="UDP-N-ACETYL-D-GLUCOSAMINE-bond8" atomRefs="UDP-N-ACETYL-D-GLUCOSAMINE-atom36 UDP-N-ACETYL-D-GLUCOSAMINE-atom19" order="2"/> <bond id="UDP-N-ACETYL-D-GLUCOSAMINE-bond9" atomRefs="UDP-N-ACETYL-D-GLUCOSAMINE-atom18 UDP-N-ACETYL-D-GLUCOSAMINE-atom2" order="1"/> <bond id="UDP-N-ACETYL-D-GLUCOSAMINE-bond10" atomRefs="UDP-N-ACETYL-D-GLUCOSAMINE-atom3 UDP-N-ACETYL-D-GLUCOSAMINE-atom20" order="2"/> <bond id="UDP-N-ACETYL-D-GLUCOSAMINE-bond11" atomRefs="UDP-N-ACETYL-D-GLUCOSAMINE-atom4 UDP-N-ACETYL-D-GLUCOSAMINE-atom32" order="2"/> <bond id="UDP-N-ACETYL-D-GLUCOSAMINE-bond12" atomRefs="UDP-N-ACETYL-D-GLUCOSAMINE-atom5 UDP-N-ACETYL-D-GLUCOSAMINE-atom33" order="2"/> <bond id="UDP-N-ACETYL-D-GLUCOSAMINE-bond13" atomRefs="UDP-N-ACETYL-D-GLUCOSAMINE-atom24 UDP-N-ACETYL-D-GLUCOSAMINE-atom6" order="1"/> <bond id="UDP-N-ACETYL-D-GLUCOSAMINE-bond14" atomRefs="UDP-N-ACETYL-D-GLUCOSAMINE-atom26 UDP-N-ACETYL-D-GLUCOSAMINE-atom39" order="1"/> <bond id="UDP-N-ACETYL-D-GLUCOSAMINE-bond15" atomRefs="UDP-N-ACETYL-D-GLUCOSAMINE-atom27 UDP-N-ACETYL-D-GLUCOSAMINE-atom7" order="1"/> <bond id="UDP-N-ACETYL-D-GLUCOSAMINE-bond16" atomRefs="UDP-N-ACETYL-D-GLUCOSAMINE-atom28 UDP-N-ACETYL-D-GLUCOSAMINE-atom8" order="1"/> <bond id="UDP-N-ACETYL-D-GLUCOSAMINE-bond17" atomRefs="UDP-N-ACETYL-D-GLUCOSAMINE-atom9 UDP-N-ACETYL-D-GLUCOSAMINE-atom32" order="1"/> <bond id="UDP-N-ACETYL-D-GLUCOSAMINE-bond18" atomRefs="UDP-N-ACETYL-D-GLUCOSAMINE-atom10 UDP-N-ACETYL-D-GLUCOSAMINE-atom33" order="1"/> <bond id="UDP-N-ACETYL-D-GLUCOSAMINE-bond19" atomRefs="UDP-N-ACETYL-D-GLUCOSAMINE-atom11 UDP-N-ACETYL-D-GLUCOSAMINE-atom13" order="1"/> <bond id="UDP-N-ACETYL-D-GLUCOSAMINE-bond20" atomRefs="UDP-N-ACETYL-D-GLUCOSAMINE-atom25 UDP-N-ACETYL-D-GLUCOSAMINE-atom11" order="1"/> <bond id="UDP-N-ACETYL-D-GLUCOSAMINE-bond21" atomRefs="UDP-N-ACETYL-D-GLUCOSAMINE-atom12 UDP-N-ACETYL-D-GLUCOSAMINE-atom19" order="A"/> <bond id="UDP-N-ACETYL-D-GLUCOSAMINE-bond22" atomRefs="UDP-N-ACETYL-D-GLUCOSAMINE-atom22 UDP-N-ACETYL-D-GLUCOSAMINE-atom12" order="A"/> <bond id="UDP-N-ACETYL-D-GLUCOSAMINE-bond23" atomRefs="UDP-N-ACETYL-D-GLUCOSAMINE-atom13 UDP-N-ACETYL-D-GLUCOSAMINE-atom32" order="1"/> <bond id="UDP-N-ACETYL-D-GLUCOSAMINE-bond24" atomRefs="UDP-N-ACETYL-D-GLUCOSAMINE-atom14 UDP-N-ACETYL-D-GLUCOSAMINE-atom23" order="1"/> <bond id="UDP-N-ACETYL-D-GLUCOSAMINE-bond25" atomRefs="UDP-N-ACETYL-D-GLUCOSAMINE-atom14 UDP-N-ACETYL-D-GLUCOSAMINE-atom29" order="1"/> <bond id="UDP-N-ACETYL-D-GLUCOSAMINE-bond26" atomRefs="UDP-N-ACETYL-D-GLUCOSAMINE-atom15 UDP-N-ACETYL-D-GLUCOSAMINE-atom25" order="1"/> <bond id="UDP-N-ACETYL-D-GLUCOSAMINE-bond27" atomRefs="UDP-N-ACETYL-D-GLUCOSAMINE-atom15 UDP-N-ACETYL-D-GLUCOSAMINE-atom30" order="1"/> <bond id="UDP-N-ACETYL-D-GLUCOSAMINE-bond28" atomRefs="UDP-N-ACETYL-D-GLUCOSAMINE-atom29 UDP-N-ACETYL-D-GLUCOSAMINE-atom16" order="1"/> <bond id="UDP-N-ACETYL-D-GLUCOSAMINE-bond29" atomRefs="UDP-N-ACETYL-D-GLUCOSAMINE-atom16 UDP-N-ACETYL-D-GLUCOSAMINE-atom33" order="1"/> <bond id="UDP-N-ACETYL-D-GLUCOSAMINE-bond30" atomRefs="UDP-N-ACETYL-D-GLUCOSAMINE-atom17 UDP-N-ACETYL-D-GLUCOSAMINE-atom32" order="1"/> <bond id="UDP-N-ACETYL-D-GLUCOSAMINE-bond31" atomRefs="UDP-N-ACETYL-D-GLUCOSAMINE-atom17 UDP-N-ACETYL-D-GLUCOSAMINE-atom33" order="1"/> <bond id="UDP-N-ACETYL-D-GLUCOSAMINE-bond32" atomRefs="UDP-N-ACETYL-D-GLUCOSAMINE-atom18 UDP-N-ACETYL-D-GLUCOSAMINE-atom23" order="1"/> <bond id="UDP-N-ACETYL-D-GLUCOSAMINE-bond33" atomRefs="UDP-N-ACETYL-D-GLUCOSAMINE-atom18 UDP-N-ACETYL-D-GLUCOSAMINE-atom24" order="1"/> <bond id="UDP-N-ACETYL-D-GLUCOSAMINE-bond34" atomRefs="UDP-N-ACETYL-D-GLUCOSAMINE-atom19 UDP-N-ACETYL-D-GLUCOSAMINE-atom31" order="A"/> <bond id="UDP-N-ACETYL-D-GLUCOSAMINE-bond35" atomRefs="UDP-N-ACETYL-D-GLUCOSAMINE-atom20 UDP-N-ACETYL-D-GLUCOSAMINE-atom21" order="A"/> <bond id="UDP-N-ACETYL-D-GLUCOSAMINE-bond36" atomRefs="UDP-N-ACETYL-D-GLUCOSAMINE-atom31 UDP-N-ACETYL-D-GLUCOSAMINE-atom20" order="A"/> <bond id="UDP-N-ACETYL-D-GLUCOSAMINE-bond37" atomRefs="UDP-N-ACETYL-D-GLUCOSAMINE-atom21 UDP-N-ACETYL-D-GLUCOSAMINE-atom22" order="A"/> <bond id="UDP-N-ACETYL-D-GLUCOSAMINE-bond38" atomRefs="UDP-N-ACETYL-D-GLUCOSAMINE-atom24 UDP-N-ACETYL-D-GLUCOSAMINE-atom26" order="1"/> <bond id="UDP-N-ACETYL-D-GLUCOSAMINE-bond39" atomRefs="UDP-N-ACETYL-D-GLUCOSAMINE-atom25 UDP-N-ACETYL-D-GLUCOSAMINE-atom27" order="1"/> <bond id="UDP-N-ACETYL-D-GLUCOSAMINE-bond40" atomRefs="UDP-N-ACETYL-D-GLUCOSAMINE-atom26 UDP-N-ACETYL-D-GLUCOSAMINE-atom29" order="1"/> <bond id="UDP-N-ACETYL-D-GLUCOSAMINE-bond41" atomRefs="UDP-N-ACETYL-D-GLUCOSAMINE-atom27 UDP-N-ACETYL-D-GLUCOSAMINE-atom28" order="1"/> <bond id="UDP-N-ACETYL-D-GLUCOSAMINE-bond42" atomRefs="UDP-N-ACETYL-D-GLUCOSAMINE-atom28 UDP-N-ACETYL-D-GLUCOSAMINE-atom30" order="1"/> <formula concise="C 17 H 27 N 3 O 17 P 2" formalCharge="0"/> 607.358 C(C1(OC(C(O)C(O)1)n2(c(=O)[nH]c(=O)cc2)))OP(O)(=O)OP(O)(=O)OC3(C(NC(=O)C)C(O)C(O)C(O3)CO)
uridine diphosphate N-acetylglucosamine
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id="UDP-N-ACETYL-GALACTOSAMINE-atom23" elementType="O" x2="5.9011" y2="-5.366"/> <atom id="UDP-N-ACETYL-GALACTOSAMINE-atom24" elementType="O" x2="9.1248" y2="-5.3761"/> <atom id="UDP-N-ACETYL-GALACTOSAMINE-atom25" elementType="C" x2="7.4193" y2="-1.2367"/> <atom id="UDP-N-ACETYL-GALACTOSAMINE-atom26" elementType="C" x2="17.0343" y2="-10.6166"/> <atom id="UDP-N-ACETYL-GALACTOSAMINE-atom27" elementType="C" x2="16.0002" y2="-8.7747"/> <atom id="UDP-N-ACETYL-GALACTOSAMINE-atom28" elementType="C" x2="2.2636" y2="-3.2773"/> <atom id="UDP-N-ACETYL-GALACTOSAMINE-atom29" elementType="C" x2="15.0748" y2="-4.8661"/> <atom id="UDP-N-ACETYL-GALACTOSAMINE-atom30" elementType="C" x2="3.4733" y2="-2.5735"/> <atom id="UDP-N-ACETYL-GALACTOSAMINE-atom31" elementType="C" x2="16.313" y2="-4.8661"/> <atom id="UDP-N-ACETYL-GALACTOSAMINE-atom32" elementType="C" x2="2.2636" y2="-4.6697"/> <atom id="UDP-N-ACETYL-GALACTOSAMINE-atom33" elementType="C" x2="14.6862" y2="-6.027"/> <atom id="UDP-N-ACETYL-GALACTOSAMINE-atom34" elementType="C" x2="4.6912" y2="-4.6698"/> <atom id="UDP-N-ACETYL-GALACTOSAMINE-atom35" elementType="C" x2="4.6912" y2="-3.2775"/> <atom id="UDP-N-ACETYL-GALACTOSAMINE-atom36" elementType="C" x2="16.6812" y2="-6.0064"/> <atom id="UDP-N-ACETYL-GALACTOSAMINE-atom37" elementType="N" x2="15.9913" y2="-10.0011"/> <atom id="UDP-N-ACETYL-GALACTOSAMINE-atom38" elementType="N" x2="17.0525" y2="-8.1636"/> <atom id="UDP-N-ACETYL-GALACTOSAMINE-atom39" elementType="P" x2="10.9232" y2="-5.4227"/> <atom id="UDP-N-ACETYL-GALACTOSAMINE-atom40" elementType="P" x2="7.3961" y2="-5.3684"/> <bond id="UDP-N-ACETYL-GALACTOSAMINE-bond1" atomRefs="UDP-N-ACETYL-GALACTOSAMINE-atom36 UDP-N-ACETYL-GALACTOSAMINE-atom38" order="1"/> <bond id="UDP-N-ACETYL-GALACTOSAMINE-bond2" atomRefs="UDP-N-ACETYL-GALACTOSAMINE-atom34 UDP-N-ACETYL-GALACTOSAMINE-atom35" order="1"/> <bond id="UDP-N-ACETYL-GALACTOSAMINE-bond3" atomRefs="UDP-N-ACETYL-GALACTOSAMINE-atom31 UDP-N-ACETYL-GALACTOSAMINE-atom36" order="1"/> <bond id="UDP-N-ACETYL-GALACTOSAMINE-bond4" atomRefs="UDP-N-ACETYL-GALACTOSAMINE-atom30 UDP-N-ACETYL-GALACTOSAMINE-atom35" order="1"/> <bond id="UDP-N-ACETYL-GALACTOSAMINE-bond5" atomRefs="UDP-N-ACETYL-GALACTOSAMINE-atom29 UDP-N-ACETYL-GALACTOSAMINE-atom33" order="1"/> <bond id="UDP-N-ACETYL-GALACTOSAMINE-bond6" atomRefs="UDP-N-ACETYL-GALACTOSAMINE-atom29 UDP-N-ACETYL-GALACTOSAMINE-atom31" order="1"/> <bond id="UDP-N-ACETYL-GALACTOSAMINE-bond7" atomRefs="UDP-N-ACETYL-GALACTOSAMINE-atom28 UDP-N-ACETYL-GALACTOSAMINE-atom32" order="1"/> <bond id="UDP-N-ACETYL-GALACTOSAMINE-bond8" atomRefs="UDP-N-ACETYL-GALACTOSAMINE-atom28 UDP-N-ACETYL-GALACTOSAMINE-atom30" order="1"/> <bond id="UDP-N-ACETYL-GALACTOSAMINE-bond9" atomRefs="UDP-N-ACETYL-GALACTOSAMINE-atom27 UDP-N-ACETYL-GALACTOSAMINE-atom38" order="A"/> <bond id="UDP-N-ACETYL-GALACTOSAMINE-bond10" atomRefs="UDP-N-ACETYL-GALACTOSAMINE-atom37 UDP-N-ACETYL-GALACTOSAMINE-atom27" order="A"/> <bond id="UDP-N-ACETYL-GALACTOSAMINE-bond11" atomRefs="UDP-N-ACETYL-GALACTOSAMINE-atom26 UDP-N-ACETYL-GALACTOSAMINE-atom37" order="A"/> <bond id="UDP-N-ACETYL-GALACTOSAMINE-bond12" atomRefs="UDP-N-ACETYL-GALACTOSAMINE-atom24 UDP-N-ACETYL-GALACTOSAMINE-atom40" order="1"/> <bond id="UDP-N-ACETYL-GALACTOSAMINE-bond13" atomRefs="UDP-N-ACETYL-GALACTOSAMINE-atom24 UDP-N-ACETYL-GALACTOSAMINE-atom39" order="1"/> <bond id="UDP-N-ACETYL-GALACTOSAMINE-bond14" atomRefs="UDP-N-ACETYL-GALACTOSAMINE-atom23 UDP-N-ACETYL-GALACTOSAMINE-atom40" order="1"/> <bond id="UDP-N-ACETYL-GALACTOSAMINE-bond15" atomRefs="UDP-N-ACETYL-GALACTOSAMINE-atom34 UDP-N-ACETYL-GALACTOSAMINE-atom23" order="1"/> <bond id="UDP-N-ACETYL-GALACTOSAMINE-bond16" atomRefs="UDP-N-ACETYL-GALACTOSAMINE-atom22 UDP-N-ACETYL-GALACTOSAMINE-atom36" order="1"/> <bond id="UDP-N-ACETYL-GALACTOSAMINE-bond17" atomRefs="UDP-N-ACETYL-GALACTOSAMINE-atom22 UDP-N-ACETYL-GALACTOSAMINE-atom33" order="1"/> <bond id="UDP-N-ACETYL-GALACTOSAMINE-bond18" atomRefs="UDP-N-ACETYL-GALACTOSAMINE-atom21 UDP-N-ACETYL-GALACTOSAMINE-atom34" order="1"/> <bond id="UDP-N-ACETYL-GALACTOSAMINE-bond19" atomRefs="UDP-N-ACETYL-GALACTOSAMINE-atom21 UDP-N-ACETYL-GALACTOSAMINE-atom32" order="1"/> <bond id="UDP-N-ACETYL-GALACTOSAMINE-bond20" atomRefs="UDP-N-ACETYL-GALACTOSAMINE-atom20 UDP-N-ACETYL-GALACTOSAMINE-atom39" order="1"/> <bond id="UDP-N-ACETYL-GALACTOSAMINE-bond21" atomRefs="UDP-N-ACETYL-GALACTOSAMINE-atom35 UDP-N-ACETYL-GALACTOSAMINE-atom19" order="1"/> <bond id="UDP-N-ACETYL-GALACTOSAMINE-bond22" atomRefs="UDP-N-ACETYL-GALACTOSAMINE-atom19 UDP-N-ACETYL-GALACTOSAMINE-atom25" order="1"/> <bond id="UDP-N-ACETYL-GALACTOSAMINE-bond23" atomRefs="UDP-N-ACETYL-GALACTOSAMINE-atom33 UDP-N-ACETYL-GALACTOSAMINE-atom18" order="1"/> <bond id="UDP-N-ACETYL-GALACTOSAMINE-bond24" atomRefs="UDP-N-ACETYL-GALACTOSAMINE-atom18 UDP-N-ACETYL-GALACTOSAMINE-atom20" order="1"/> <bond id="UDP-N-ACETYL-GALACTOSAMINE-bond25" atomRefs="UDP-N-ACETYL-GALACTOSAMINE-atom32 UDP-N-ACETYL-GALACTOSAMINE-atom17" order="1"/> <bond id="UDP-N-ACETYL-GALACTOSAMINE-bond26" atomRefs="UDP-N-ACETYL-GALACTOSAMINE-atom38 UDP-N-ACETYL-GALACTOSAMINE-atom16" order="A"/> <bond id="UDP-N-ACETYL-GALACTOSAMINE-bond27" atomRefs="UDP-N-ACETYL-GALACTOSAMINE-atom15 UDP-N-ACETYL-GALACTOSAMINE-atom26" order="A"/> <bond id="UDP-N-ACETYL-GALACTOSAMINE-bond28" atomRefs="UDP-N-ACETYL-GALACTOSAMINE-atom16 UDP-N-ACETYL-GALACTOSAMINE-atom15" order="A"/> <bond id="UDP-N-ACETYL-GALACTOSAMINE-bond29" atomRefs="UDP-N-ACETYL-GALACTOSAMINE-atom14 UDP-N-ACETYL-GALACTOSAMINE-atom40" order="1"/> <bond id="UDP-N-ACETYL-GALACTOSAMINE-bond30" atomRefs="UDP-N-ACETYL-GALACTOSAMINE-atom13 UDP-N-ACETYL-GALACTOSAMINE-atom39" order="1"/> <bond id="UDP-N-ACETYL-GALACTOSAMINE-bond31" atomRefs="UDP-N-ACETYL-GALACTOSAMINE-atom31 UDP-N-ACETYL-GALACTOSAMINE-atom12" order="1"/> <bond id="UDP-N-ACETYL-GALACTOSAMINE-bond32" atomRefs="UDP-N-ACETYL-GALACTOSAMINE-atom30 UDP-N-ACETYL-GALACTOSAMINE-atom11" order="1"/> <bond id="UDP-N-ACETYL-GALACTOSAMINE-bond33" atomRefs="UDP-N-ACETYL-GALACTOSAMINE-atom29 UDP-N-ACETYL-GALACTOSAMINE-atom10" order="1"/> <bond id="UDP-N-ACETYL-GALACTOSAMINE-bond34" atomRefs="UDP-N-ACETYL-GALACTOSAMINE-atom28 UDP-N-ACETYL-GALACTOSAMINE-atom9" order="1"/> <bond id="UDP-N-ACETYL-GALACTOSAMINE-bond35" atomRefs="UDP-N-ACETYL-GALACTOSAMINE-atom8 UDP-N-ACETYL-GALACTOSAMINE-atom17" order="1"/> <bond id="UDP-N-ACETYL-GALACTOSAMINE-bond36" atomRefs="UDP-N-ACETYL-GALACTOSAMINE-atom7 UDP-N-ACETYL-GALACTOSAMINE-atom40" order="2"/> <bond id="UDP-N-ACETYL-GALACTOSAMINE-bond37" atomRefs="UDP-N-ACETYL-GALACTOSAMINE-atom6 UDP-N-ACETYL-GALACTOSAMINE-atom39" order="2"/> <bond id="UDP-N-ACETYL-GALACTOSAMINE-bond38" atomRefs="UDP-N-ACETYL-GALACTOSAMINE-atom5 UDP-N-ACETYL-GALACTOSAMINE-atom27" order="2"/> <bond id="UDP-N-ACETYL-GALACTOSAMINE-bond39" atomRefs="UDP-N-ACETYL-GALACTOSAMINE-atom4 UDP-N-ACETYL-GALACTOSAMINE-atom26" order="2"/> <bond id="UDP-N-ACETYL-GALACTOSAMINE-bond40" atomRefs="UDP-N-ACETYL-GALACTOSAMINE-atom3 UDP-N-ACETYL-GALACTOSAMINE-atom25" order="2"/> <bond id="UDP-N-ACETYL-GALACTOSAMINE-bond41" atomRefs="UDP-N-ACETYL-GALACTOSAMINE-atom2 UDP-N-ACETYL-GALACTOSAMINE-atom25" order="1"/> <bond id="UDP-N-ACETYL-GALACTOSAMINE-bond42" atomRefs="UDP-N-ACETYL-GALACTOSAMINE-atom1 UDP-N-ACETYL-GALACTOSAMINE-atom37" order="1"/> <formula concise="C 17 H 27 N 3 O 17 P 2" formalCharge="0"/> 607.358 CC(=O)NC1(C(OC(CO)C(O)C1O)OP(=O)(O)OP(=O)(O)OCC2(OC(C(O)C2O)n3(c(=O)[nH]c(=O)cc3)))
uridine diphosphate N-acetylgalactosamine
Uridine diphosphoacetylglucosamine epimerase
Uridine diphosphate galactose 4-epimerase
N-(5'-phosphoribosyl)anthranilate isomerase
phosphoribosylanthranilate isomerization
<atom id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom1" elementType="O" x2="0.62" y2="-0.58285713"/> <atom id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom2" elementType="O" x2="-0.33714285" y2="-0.26857144"/> <atom id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom3" elementType="H" x2="0.025714286" y2="0.14"/> <atom id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom4" elementType="P" x2="-0.80857146" y2="0.12571429"/> <atom id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom5" elementType="N" x2="0.84" y2="-0.122857146"/> <atom id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom6" elementType="C" x2="-0.41714287" y2="0.12571429"/> <atom id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom7" elementType="N" x2="0.48" y2="0.45714286"/> <atom id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom8" elementType="O" x2="-1.0" y2="0.12571429"/> <atom id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom9" elementType="N" x2="0.99714285" y2="0.20285714"/> <atom id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom10" elementType="O" x2="0.35428572" y2="0.27714285"/> <atom id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom11" elementType="C" x2="0.99714285" y2="0.022857143"/> <atom id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom12" elementType="O" x2="0.0028571428" y2="-0.78"/> <atom id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom13" elementType="H" x2="-0.41714287" y2="-0.09142857"/> <atom id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom14" elementType="H" x2="-0.06285714" y2="-0.037142858"/> <atom id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom15" elementType="C" x2="0.025714286" y2="0.022857143"/> <atom id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom16" elementType="C" x2="0.54571426" y2="0.27714285"/> <atom id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom17" elementType="O" x2="-0.80857146" y2="0.31714284"/> <atom id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom18" elementType="C" x2="0.84" y2="-0.71428573"/> <atom id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom19" elementType="H" x2="0.84" y2="-0.8314286"/> <atom id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom20" elementType="H" x2="0.75714284" y2="-0.76857144"/> <atom id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom21" elementType="O" x2="-0.62857145" y2="0.12571429"/> <atom id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom22" elementType="C" x2="0.6685714" y2="0.20285714"/> <atom id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom23" elementType="O" x2="-0.2" y2="0.14285715"/> <atom id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom24" elementType="C" x2="-0.06285714" y2="-0.15142857"/> <atom id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom25" elementType="O" x2="0.18857142" y2="-0.5885714"/> <atom id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom26" elementType="C" x2="0.48285714" y2="-0.88285714"/> <atom id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom27" elementType="C" x2="0.32285714" y2="0.022857143"/> <atom id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom28" elementType="N" x2="0.17142858" y2="-0.14285715"/> <atom id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom29" elementType="H" x2="0.4" y2="-0.8314286"/> <atom id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom30" elementType="C" x2="0.4" y2="-0.5885714"/> <atom id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom31" elementType="C" x2="0.6685714" y2="0.022857143"/> <atom id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom32" elementType="O" x2="0.75714284" y2="-1.0"/> <atom id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom33" elementType="H" x2="-0.33714285" y2="-0.037142858"/> <atom id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom34" elementType="C" x2="0.75714284" y2="-0.88285714"/> <atom id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom35" elementType="O" x2="0.0028571428" y2="-0.39714286"/> <atom id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom36" elementType="O" x2="-0.80857146" y2="-0.065714285"/> <atom id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom37" elementType="O" x2="-0.06285714" y2="-0.26857144"/> <atom id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom38" elementType="N" x2="0.48857144" y2="-0.14857143"/> <atom id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom39" elementType="O" x2="0.48285714" y2="-1.0"/> <atom id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom40" elementType="H" x2="0.48285714" y2="-0.76857144"/> <atom id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom41" elementType="C" x2="0.4" y2="-0.71428573"/> <atom id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom42" elementType="O" x2="-0.18857142" y2="-0.5885714"/> <atom id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom43" elementType="P" x2="0.0028571428" y2="-0.5885714"/> <atom id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom44" elementType="C" x2="-0.33714285" y2="-0.15142857"/> <atom id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom45" elementType="C" x2="-0.41714287" y2="0.022857143"/> <bond id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-bond1" atomRefs="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom45 PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom23" order="1"/> <bond id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-bond2" atomRefs="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom45 PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom44" order="1"/> <bond id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-bond3" atomRefs="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom44 PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom24" order="1"/> <bond id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-bond4" atomRefs="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom43 PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom25" order="1"/> <bond id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-bond5" atomRefs="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom42 PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom43" order="1"/> <bond id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-bond6" atomRefs="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom41 PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom1" order="1"/> <bond id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-bond7" atomRefs="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom41 PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom26" order="1"/> <bond id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-bond8" atomRefs="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom40 PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom26" order="1"/> <bond id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-bond9" atomRefs="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom38 PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom31" order="1"/> <bond id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-bond10" atomRefs="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom37 PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom24" order="1"/> <bond id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-bond11" atomRefs="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom36 PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom4" order="1"/> <bond id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-bond12" atomRefs="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom35 PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom43" order="2"/> <bond id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-bond13" atomRefs="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom34 PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom32" order="1"/> <bond id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-bond14" atomRefs="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom33 PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom44" order="1"/> <bond id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-bond15" atomRefs="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom31 PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom5" order="A"/> <bond id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-bond16" atomRefs="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom30 PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom41" order="1"/> <bond id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-bond17" atomRefs="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom29 PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom41" order="1"/> <bond id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-bond18" atomRefs="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom28 PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom27" order="1"/> <bond id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-bond19" atomRefs="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom27 PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom38" order="2"/> <bond id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-bond20" atomRefs="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom26 PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom34" order="1"/> <bond id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-bond21" atomRefs="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom26 PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom39" order="1"/> <bond id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-bond22" atomRefs="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom25 PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom30" order="1"/> <bond id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-bond23" atomRefs="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom23 PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom15" order="1"/> <bond id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-bond24" atomRefs="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom22 PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom31" order="A"/> <bond id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-bond25" atomRefs="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom21 PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom6" order="1"/> <bond id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-bond26" atomRefs="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom20 PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom34" order="1"/> <bond id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-bond27" atomRefs="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom19 PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom18" order="1"/> <bond id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-bond28" atomRefs="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom18 PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom5" order="1"/> <bond id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-bond29" atomRefs="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom18 PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom34" order="1"/> <bond id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-bond30" atomRefs="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom17 PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom4" order="2"/> <bond id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-bond31" atomRefs="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom16 PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom22" order="1"/> <bond id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-bond32" atomRefs="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom15 PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom24" order="1"/> <bond id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-bond33" atomRefs="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom15 PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom28" order="1"/> <bond id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-bond34" atomRefs="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom14 PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom24" order="1"/> <bond id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-bond35" atomRefs="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom13 PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom45" order="1"/> <bond id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-bond36" atomRefs="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom12 PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom43" order="1"/> <bond id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-bond37" atomRefs="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom11 PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom9" order="A"/> <bond id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-bond38" atomRefs="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom10 PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom16" order="2"/> <bond id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-bond39" atomRefs="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom9 PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom22" order="A"/> <bond id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-bond40" atomRefs="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom8 PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom4" order="1"/> <bond id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-bond41" atomRefs="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom7 PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom16" order="1"/> <bond id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-bond42" atomRefs="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom6 PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom45" order="1"/> <bond id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-bond43" atomRefs="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom5 PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom11" order="A"/> <bond id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-bond44" atomRefs="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom4 PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom21" order="1"/> <bond id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-bond45" atomRefs="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom3 PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom15" order="1"/> <bond id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-bond46" atomRefs="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom2 PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom44" order="1"/> <bond id="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-bond47" atomRefs="PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom1 PHOSPHORIBOSYL-FORMIMINO-AICAR-P-atom18" order="1"/> <formula concise="C 15 H 25 N 5 O 15 P 2" formalCharge="0"/> 577.334 C(OP(=O)(O)O)[CH]1(O[CH]([CH](O)[CH]1O)NC=Nc2(n(cnc2C(=O)N)[CH]3(O[CH]([CH](O)[CH](O)3)COP(=O)(O)O)))
N-5-phosphoribosyl-formimino-5-amino-imidazole-4-carboxamide ribonucleotide
N-(5'-phospho-D-ribosylformimino)-5-amino-1-(5''-phosphoribosyl)-4- imidazole carboxamide isomerase
<atom id="PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-atom1" elementType="C" x2="0.36571428" y2="-0.04857143"/> <atom id="PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-atom2" elementType="O" x2="-0.068571426" y2="0.12857144"/> <atom id="PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-atom3" elementType="C" x2="0.5742857" y2="0.22571428"/> <atom id="PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-atom4" elementType="C" x2="0.6857143" y2="0.122857146"/> <atom id="PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-atom5" elementType="O" x2="-0.82285714" y2="0.12857144"/> <atom id="PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-atom6" elementType="O" x2="0.065714285" y2="-0.79714286"/> <atom id="PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-atom7" elementType="O" x2="-0.82285714" y2="-0.22285715"/> <atom id="PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-atom8" elementType="O" x2="-0.22" y2="-0.23142858"/> <atom id="PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-atom9" elementType="N" x2="0.6942857" y2="0.35428572"/> <atom id="PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-atom10" elementType="N" 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elementType="N" x2="0.22285715" y2="-0.20571429"/> <atom id="PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-atom40" elementType="C" x2="0.08571429" y2="-0.04857143"/> <atom id="PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-atom41" elementType="P" x2="-0.82285714" y2="-0.04857143"/> <atom id="PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-atom42" elementType="C" x2="-0.36857143" y2="-0.04857143"/> <atom id="PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-atom43" elementType="C" x2="0.6857143" y2="-0.04857143"/> <bond id="PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-bond1" atomRefs="PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-atom43 PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-atom4" order="A"/> <bond id="PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-bond2" atomRefs="PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-atom42 PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-atom21" order="1"/> <bond id="PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-bond3" atomRefs="PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-atom42 PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-atom32" order="1"/> <bond id="PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-bond4" 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atomRefs="PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-atom30 PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-atom41" order="1"/> <bond id="PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-bond17" atomRefs="PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-atom29 PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-atom14" order="1"/> <bond id="PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-bond18" atomRefs="PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-atom28 PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-atom26" order="A"/> <bond id="PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-bond19" atomRefs="PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-atom27 PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-atom42" order="1"/> <bond id="PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-bond20" atomRefs="PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-atom26 PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-atom16" order="A"/> <bond id="PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-bond21" atomRefs="PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-atom25 PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-atom38" order="1"/> <bond id="PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-bond22" atomRefs="PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-atom24 PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-atom23" order="1"/> <bond id="PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-bond23" atomRefs="PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-atom24 PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-atom14" order="1"/> <bond id="PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-bond24" atomRefs="PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-atom22 PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-atom38" order="1"/> <bond id="PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-bond25" atomRefs="PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-atom21 PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-atom15" order="1"/> <bond id="PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-bond26" atomRefs="PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-atom20 PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-atom33" order="2"/> <bond id="PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-bond27" atomRefs="PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-atom19 PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-atom42" order="1"/> <bond id="PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-bond28" atomRefs="PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-atom18 PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-atom19" order="1"/> <bond id="PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-bond29" atomRefs="PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-atom16 PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-atom43" order="A"/> <bond id="PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-bond30" atomRefs="PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-atom14 PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-atom17" order="1"/> <bond id="PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-bond31" atomRefs="PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-atom13 PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-atom33" order="1"/> <bond id="PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-bond32" atomRefs="PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-atom12 PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-atom21" order="1"/> <bond id="PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-bond33" atomRefs="PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-atom11 PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-atom14" order="1"/> <bond id="PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-bond34" atomRefs="PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-atom11 PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-atom16" order="1"/> <bond id="PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-bond35" atomRefs="PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-atom10 PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-atom43" order="1"/> <bond id="PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-bond36" atomRefs="PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-atom9 PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-atom3" order="1"/> <bond id="PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-bond37" atomRefs="PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-atom8 PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-atom21" order="1"/> <bond id="PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-bond38" atomRefs="PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-atom7 PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-atom41" order="1"/> <bond id="PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-bond39" atomRefs="PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-atom6 PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-atom33" order="1"/> <bond id="PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-bond40" atomRefs="PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-atom5 PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-atom41" order="2"/> <bond id="PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-bond41" atomRefs="PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-atom4 PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-atom28" order="A"/> <bond id="PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-bond42" atomRefs="PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-atom3 PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-atom4" order="1"/> <bond id="PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-bond43" atomRefs="PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-atom2 PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-atom15" order="2"/> <bond id="PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-bond44" atomRefs="PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-atom1 PHOSPHORIBULOSYL-FORMIMINO-AICAR-P-atom10" order="2"/> <formula concise="C 15 H 25 N 5 O 15 P 2" formalCharge="0"/> 577.334 C(N)(=O)c1(c(n(cn1)[CH]2(O[CH]([CH](O)[CH](O)2)COP(O)(=O)O))N=CNCC(=O)[CH](O)[CH](O)COP(O)(O)=O)
phosphoribulosyl-formimino-5-aminoimidazole-4-carboxamide ribotide phosphate
phosphoribulosyl-formimino-5-aminoimidazole-4-carboxamide ribonucleotide phosphate
PHOSPHORIBOSYLFORMIMINO-5-AMINOIMIDAZOLE CARBOXAMIDE RIBOTIDE ISOMERASE
<atom id="XYLOSE-atom1" elementType="O" x2="0.0" y2="-1.4"/> <atom id="XYLOSE-atom2" elementType="O" x2="4.8497" y2="-4.2"/> <atom id="XYLOSE-atom3" elementType="O" x2="2.4249" y2="0.0"/> <atom id="XYLOSE-atom4" elementType="O" x2="4.8497" y2="-1.4"/> <atom id="XYLOSE-atom5" elementType="C" x2="1.2124" y2="-3.5"/> <atom id="XYLOSE-atom6" elementType="O" x2="2.4249" y2="-4.2"/> <atom id="XYLOSE-atom7" elementType="C" x2="1.2124" y2="-2.1"/> <atom id="XYLOSE-atom8" elementType="C" x2="3.6373" y2="-3.5"/> <atom id="XYLOSE-atom9" elementType="C" x2="2.4249" y2="-1.4"/> <atom id="XYLOSE-atom10" elementType="C" x2="3.6373" y2="-2.1"/> <bond id="XYLOSE-bond1" atomRefs="XYLOSE-atom9 XYLOSE-atom10" order="1"/> <bond id="XYLOSE-bond2" atomRefs="XYLOSE-atom8 XYLOSE-atom10" order="1"/> <bond id="XYLOSE-bond3" atomRefs="XYLOSE-atom7 XYLOSE-atom9" order="1"/> <bond id="XYLOSE-bond4" atomRefs="XYLOSE-atom6 XYLOSE-atom8" order="1"/> <bond id="XYLOSE-bond5" atomRefs="XYLOSE-atom5 XYLOSE-atom7" order="1"/> <bond id="XYLOSE-bond6" atomRefs="XYLOSE-atom5 XYLOSE-atom6" order="1"/> <bond id="XYLOSE-bond7" atomRefs="XYLOSE-atom10 XYLOSE-atom4" order="1"/> <bond id="XYLOSE-bond8" atomRefs="XYLOSE-atom9 XYLOSE-atom3" order="1"/> <bond id="XYLOSE-bond9" atomRefs="XYLOSE-atom8 XYLOSE-atom2" order="1"/> <bond id="XYLOSE-bond10" atomRefs="XYLOSE-atom7 XYLOSE-atom1" order="1"/> <formula concise="C 5 H 10 O 5" formalCharge="0"/> 150.131 C1(C(O)C(O)C(O)C(O1)O)
<atom id="MANNOSE-6P-atom1" elementType="O" x2="1.4184" y2="-4.951"/> <atom id="MANNOSE-6P-atom2" elementType="O" x2="8.8611" y2="-4.2"/> <atom id="MANNOSE-6P-atom3" elementType="O" x2="8.8611" y2="-1.4"/> <atom id="MANNOSE-6P-atom4" elementType="O" x2="6.4362" y2="0.0"/> <atom id="MANNOSE-6P-atom5" elementType="O" x2="4.0114" y2="-1.4"/> <atom id="MANNOSE-6P-atom6" elementType="O" x2="1.3976" y2="-2.1511"/> <atom id="MANNOSE-6P-atom7" elementType="O" x2="0.0" y2="-3.5305"/> <atom id="MANNOSE-6P-atom8" elementType="C" x2="4.0114" y2="-4.2"/> <atom id="MANNOSE-6P-atom9" elementType="O" x2="2.7989" y2="-3.5"/> <atom id="MANNOSE-6P-atom10" elementType="O" x2="6.4362" y2="-4.2"/> <atom id="MANNOSE-6P-atom11" elementType="C" x2="7.6487" y2="-3.5"/> <atom id="MANNOSE-6P-atom12" elementType="C" x2="7.6487" y2="-2.1"/> <atom id="MANNOSE-6P-atom13" elementType="C" x2="6.4362" y2="-1.4"/> <atom id="MANNOSE-6P-atom14" elementType="C" x2="5.2238" y2="-2.1"/> <atom id="MANNOSE-6P-atom15" elementType="C" x2="5.2238" y2="-3.5"/> <atom id="MANNOSE-6P-atom16" elementType="P" x2="1.3998" y2="-3.5511"/> <bond id="MANNOSE-6P-bond1" atomRefs="MANNOSE-6P-atom14 MANNOSE-6P-atom15" order="1"/> <bond id="MANNOSE-6P-bond2" atomRefs="MANNOSE-6P-atom13 MANNOSE-6P-atom14" order="1"/> <bond id="MANNOSE-6P-bond3" atomRefs="MANNOSE-6P-atom12 MANNOSE-6P-atom13" order="1"/> <bond id="MANNOSE-6P-bond4" atomRefs="MANNOSE-6P-atom11 MANNOSE-6P-atom12" order="1"/> <bond id="MANNOSE-6P-bond5" atomRefs="MANNOSE-6P-atom10 MANNOSE-6P-atom15" order="1"/> <bond id="MANNOSE-6P-bond6" atomRefs="MANNOSE-6P-atom10 MANNOSE-6P-atom11" order="1"/> <bond id="MANNOSE-6P-bond7" atomRefs="MANNOSE-6P-atom9 MANNOSE-6P-atom16" order="1"/> <bond id="MANNOSE-6P-bond8" atomRefs="MANNOSE-6P-atom15 MANNOSE-6P-atom8" order="1"/> <bond id="MANNOSE-6P-bond9" atomRefs="MANNOSE-6P-atom8 MANNOSE-6P-atom9" order="1"/> <bond id="MANNOSE-6P-bond10" atomRefs="MANNOSE-6P-atom7 MANNOSE-6P-atom16" order="1"/> <bond id="MANNOSE-6P-bond11" atomRefs="MANNOSE-6P-atom6 MANNOSE-6P-atom16" order="1"/> <bond id="MANNOSE-6P-bond12" atomRefs="MANNOSE-6P-atom14 MANNOSE-6P-atom5" order="1"/> <bond id="MANNOSE-6P-bond13" atomRefs="MANNOSE-6P-atom13 MANNOSE-6P-atom4" order="1"/> <bond id="MANNOSE-6P-bond14" atomRefs="MANNOSE-6P-atom12 MANNOSE-6P-atom3" order="1"/> <bond id="MANNOSE-6P-bond15" atomRefs="MANNOSE-6P-atom11 MANNOSE-6P-atom2" order="1"/> <bond id="MANNOSE-6P-bond16" atomRefs="MANNOSE-6P-atom1 MANNOSE-6P-atom16" order="2"/> <formula concise="C 6 H 13 O 9 P 1" formalCharge="0"/> 260.137 C(OP(O)(O)=O)C1(C(O)C(O)C(O)C(O1)O)
<atom id="GLUTAMATE-1-SEMIALDEHYDE-atom1" elementType="C" x2="0.3292" y2="2.8083"/> <atom id="GLUTAMATE-1-SEMIALDEHYDE-atom2" elementType="C" x2="0.9787" y2="2.4333"/> <atom id="GLUTAMATE-1-SEMIALDEHYDE-atom3" elementType="C" x2="1.6282" y2="2.8083"/> <atom id="GLUTAMATE-1-SEMIALDEHYDE-atom4" elementType="C" x2="2.2777" y2="2.4333"/> <atom id="GLUTAMATE-1-SEMIALDEHYDE-atom5" elementType="C" x2="2.9272" y2="2.8083"/> <atom id="GLUTAMATE-1-SEMIALDEHYDE-atom6" elementType="O" x2="2.9456" y2="3.5957"/> <atom id="GLUTAMATE-1-SEMIALDEHYDE-atom7" elementType="O" x2="3.5756" y2="2.4311"/> <atom id="GLUTAMATE-1-SEMIALDEHYDE-atom8" elementType="N" x2="0.9787" y2="1.6833"/> <atom id="GLUTAMATE-1-SEMIALDEHYDE-atom9" elementType="O" x2="-0.3204" y2="2.4333"/> <atom id="GLUTAMATE-1-SEMIALDEHYDE-atom10" elementType="H" x2="0.3292" y2="3.5583"/> <bond id="GLUTAMATE-1-SEMIALDEHYDE-bond1" atomRefs="GLUTAMATE-1-SEMIALDEHYDE-atom1 GLUTAMATE-1-SEMIALDEHYDE-atom10" order="1"/> <bond id="GLUTAMATE-1-SEMIALDEHYDE-bond2" atomRefs="GLUTAMATE-1-SEMIALDEHYDE-atom1 GLUTAMATE-1-SEMIALDEHYDE-atom9" order="2"/> <bond id="GLUTAMATE-1-SEMIALDEHYDE-bond3" atomRefs="GLUTAMATE-1-SEMIALDEHYDE-atom2 GLUTAMATE-1-SEMIALDEHYDE-atom8" order="1"/> <bond id="GLUTAMATE-1-SEMIALDEHYDE-bond4" atomRefs="GLUTAMATE-1-SEMIALDEHYDE-atom4 GLUTAMATE-1-SEMIALDEHYDE-atom5" order="1"/> <bond id="GLUTAMATE-1-SEMIALDEHYDE-bond5" atomRefs="GLUTAMATE-1-SEMIALDEHYDE-atom5 GLUTAMATE-1-SEMIALDEHYDE-atom7" order="2"/> <bond id="GLUTAMATE-1-SEMIALDEHYDE-bond6" atomRefs="GLUTAMATE-1-SEMIALDEHYDE-atom5 GLUTAMATE-1-SEMIALDEHYDE-atom6" order="1"/> <bond id="GLUTAMATE-1-SEMIALDEHYDE-bond7" atomRefs="GLUTAMATE-1-SEMIALDEHYDE-atom3 GLUTAMATE-1-SEMIALDEHYDE-atom4" order="1"/> <bond id="GLUTAMATE-1-SEMIALDEHYDE-bond8" atomRefs="GLUTAMATE-1-SEMIALDEHYDE-atom2 GLUTAMATE-1-SEMIALDEHYDE-atom3" order="1"/> <bond id="GLUTAMATE-1-SEMIALDEHYDE-bond9" atomRefs="GLUTAMATE-1-SEMIALDEHYDE-atom1 GLUTAMATE-1-SEMIALDEHYDE-atom2" order="1"/> <formula concise="C 5 H 9 N 1 O 3" formalCharge="0"/> 131.131 [CH](=O)C(N)CCC(=O)O
Glutamate-1-semialdehyde 2,1-aminomutase
Glutamate-1-semialdehyde aminotransferase
<atom id="CYCLOARTENOL-atom1" elementType="C" x2="3.0625" y2="0.8937"/> <atom id="CYCLOARTENOL-atom2" elementType="C" x2="4.4914" y2="2.5438"/> <atom id="CYCLOARTENOL-atom3" elementType="C" x2="5.2059" y2="2.1313"/> <atom id="CYCLOARTENOL-atom4" elementType="C" x2="5.2059" y2="1.3062"/> <atom id="CYCLOARTENOL-atom5" elementType="C" x2="4.4914" y2="0.8937"/> <atom id="CYCLOARTENOL-atom6" elementType="C" x2="5.2059" y2="-0.3438"/> <atom id="CYCLOARTENOL-atom7" elementType="C" x2="4.4914" y2="0.0687"/> <atom id="CYCLOARTENOL-atom8" elementType="C" x2="6.705" y2="-0.1863"/> <atom id="CYCLOARTENOL-atom9" elementType="C" x2="8.3475" y2="-0.3429"/> <atom id="CYCLOARTENOL-atom10" elementType="C" x2="10.4685" y2="0.1724"/> <atom id="CYCLOARTENOL-atom11" elementType="C" x2="9.3045" y2="1.0012"/> <atom id="CYCLOARTENOL-atom12" elementType="C" x2="9.6473" y2="0.2508"/> <atom id="CYCLOARTENOL-atom13" elementType="C" x2="3.777" y2="1.3062"/> <atom id="CYCLOARTENOL-atom14" elementType="C" x2="3.777" 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id="CYCLOARTENOL-bond8" atomRefs="CYCLOARTENOL-atom30 CYCLOARTENOL-atom24" order="1"/> <bond id="CYCLOARTENOL-bond9" atomRefs="CYCLOARTENOL-atom22 CYCLOARTENOL-atom23" order="1"/> <bond id="CYCLOARTENOL-bond10" atomRefs="CYCLOARTENOL-atom14 CYCLOARTENOL-atom5" order="1"/> <bond id="CYCLOARTENOL-bond11" atomRefs="CYCLOARTENOL-atom19 CYCLOARTENOL-atom20" order="1"/> <bond id="CYCLOARTENOL-bond12" atomRefs="CYCLOARTENOL-atom17 CYCLOARTENOL-atom18" order="1"/> <bond id="CYCLOARTENOL-bond13" atomRefs="CYCLOARTENOL-atom29 CYCLOARTENOL-atom15" order="1"/> <bond id="CYCLOARTENOL-bond14" atomRefs="CYCLOARTENOL-atom14 CYCLOARTENOL-atom13" order="1"/> <bond id="CYCLOARTENOL-bond15" atomRefs="CYCLOARTENOL-atom12 CYCLOARTENOL-atom11" order="1"/> <bond id="CYCLOARTENOL-bond16" atomRefs="CYCLOARTENOL-atom10 CYCLOARTENOL-atom12" order="1"/> <bond id="CYCLOARTENOL-bond17" atomRefs="CYCLOARTENOL-atom16 CYCLOARTENOL-atom12" order="2"/> <bond id="CYCLOARTENOL-bond18" atomRefs="CYCLOARTENOL-atom16 CYCLOARTENOL-atom9" order="1"/> <bond id="CYCLOARTENOL-bond19" atomRefs="CYCLOARTENOL-atom21 CYCLOARTENOL-atom9" order="1"/> <bond id="CYCLOARTENOL-bond20" atomRefs="CYCLOARTENOL-atom21 CYCLOARTENOL-atom17" order="1"/> <bond id="CYCLOARTENOL-bond21" atomRefs="CYCLOARTENOL-atom17 CYCLOARTENOL-atom8" order="1"/> <bond id="CYCLOARTENOL-bond22" atomRefs="CYCLOARTENOL-atom6 CYCLOARTENOL-atom29" order="1"/> <bond id="CYCLOARTENOL-bond23" atomRefs="CYCLOARTENOL-atom6 CYCLOARTENOL-atom7" order="1"/> <bond id="CYCLOARTENOL-bond24" atomRefs="CYCLOARTENOL-atom7 CYCLOARTENOL-atom5" order="1"/> <bond id="CYCLOARTENOL-bond25" atomRefs="CYCLOARTENOL-atom5 CYCLOARTENOL-atom4" order="1"/> <bond id="CYCLOARTENOL-bond26" atomRefs="CYCLOARTENOL-atom4 CYCLOARTENOL-atom30" order="1"/> <bond id="CYCLOARTENOL-bond27" atomRefs="CYCLOARTENOL-atom3 CYCLOARTENOL-atom4" order="1"/> <bond id="CYCLOARTENOL-bond28" atomRefs="CYCLOARTENOL-atom2 CYCLOARTENOL-atom3" order="1"/> <bond id="CYCLOARTENOL-bond29" atomRefs="CYCLOARTENOL-atom22 CYCLOARTENOL-atom2" order="1"/> <bond id="CYCLOARTENOL-bond30" atomRefs="CYCLOARTENOL-atom13 CYCLOARTENOL-atom22" order="1"/> <bond id="CYCLOARTENOL-bond31" atomRefs="CYCLOARTENOL-atom5 CYCLOARTENOL-atom13" order="1"/> <bond id="CYCLOARTENOL-bond32" atomRefs="CYCLOARTENOL-atom26 CYCLOARTENOL-atom22" order="1"/> <bond id="CYCLOARTENOL-bond33" atomRefs="CYCLOARTENOL-atom19 CYCLOARTENOL-atom26" order="1"/> <bond id="CYCLOARTENOL-bond34" atomRefs="CYCLOARTENOL-atom28 CYCLOARTENOL-atom19" order="1"/> <bond id="CYCLOARTENOL-bond35" atomRefs="CYCLOARTENOL-atom1 CYCLOARTENOL-atom13" order="1"/> <bond id="CYCLOARTENOL-bond36" atomRefs="CYCLOARTENOL-atom1 CYCLOARTENOL-atom28" order="1"/> <formula concise="C 30 H 50 O 1" formalCharge="0"/> 426.724 CC(C)=CCCC(C)C1(C5(C)(C(C)(CC1)C2(C4(C3([CH](CC2)C(C)(C)C(O)CC3)(C4))(CC5))))
<cml> <molecule id="ACYL-COA" title="an acyl-CoA" dictRef="dictACYL-COA"> <atomArray> <atom id="ACYL-COA-atom1" elementType="P" x2="0.65732086" y2="-0.58566976"/> <atom id="ACYL-COA-atom2" elementType="O" x2="-0.1775701" y2="-0.42990655"/> <atom id="ACYL-COA-atom3" elementType="N" x2="-0.5607477" y2="-0.84423673"/> <atom id="ACYL-COA-atom4" elementType="O" x2="0.12772584" y2="-0.42990655"/> <atom id="ACYL-COA-atom5" elementType="C" x2="0.76012456" y2="0.08099687"/> <atom id="ACYL-COA-atom6" elementType="N" x2="0.62616813" y2="0.4641744"/> <atom id="ACYL-COA-atom7" elementType="O" x2="-0.87227416" y2="-0.1246106"/> <atom id="ACYL-COA-atom8" elementType="C" x2="0.44236755" y2="-0.2679128"/> <atom id="ACYL-COA-atom9" elementType="N" x2="0.90031147" y2="-5.9604645e-8"/> <atom id="ACYL-COA-atom10" elementType="O" x2="0.12772584" y2="-0.10280377"/> <atom id="ACYL-COA-atom11" elementType="C" x2="-0.635514" y2="-0.2866044"/> <atom id="ACYL-COA-atom12" elementType="N" x2="-1.0" 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id="PROPIONYL-COA-bond8" atomRefs="PROPIONYL-COA-atom51 PROPIONYL-COA-atom25" order="1"/> <bond id="PROPIONYL-COA-bond9" atomRefs="PROPIONYL-COA-atom50 PROPIONYL-COA-atom20" order="1"/> <bond id="PROPIONYL-COA-bond10" atomRefs="PROPIONYL-COA-atom49 PROPIONYL-COA-atom5" order="A"/> <bond id="PROPIONYL-COA-bond11" atomRefs="PROPIONYL-COA-atom48 PROPIONYL-COA-atom32" order="1"/> <bond id="PROPIONYL-COA-bond12" atomRefs="PROPIONYL-COA-atom47 PROPIONYL-COA-atom36" order="1"/> <bond id="PROPIONYL-COA-bond13" atomRefs="PROPIONYL-COA-atom26 PROPIONYL-COA-atom46" order="A"/> <bond id="PROPIONYL-COA-bond14" atomRefs="PROPIONYL-COA-atom45 PROPIONYL-COA-atom41" order="1"/> <bond id="PROPIONYL-COA-bond15" atomRefs="PROPIONYL-COA-atom43 PROPIONYL-COA-atom10" order="A"/> <bond id="PROPIONYL-COA-bond16" atomRefs="PROPIONYL-COA-atom42 PROPIONYL-COA-atom8" order="2"/> <bond id="PROPIONYL-COA-bond17" atomRefs="PROPIONYL-COA-atom41 PROPIONYL-COA-atom52" order="1"/> <bond id="PROPIONYL-COA-bond18" atomRefs="PROPIONYL-COA-atom40 PROPIONYL-COA-atom25" order="1"/> <bond id="PROPIONYL-COA-bond19" atomRefs="PROPIONYL-COA-atom39 PROPIONYL-COA-atom3" order="1"/> <bond id="PROPIONYL-COA-bond20" atomRefs="PROPIONYL-COA-atom38 PROPIONYL-COA-atom53" order="1"/> <bond id="PROPIONYL-COA-bond21" atomRefs="PROPIONYL-COA-atom46 PROPIONYL-COA-atom37" order="A"/> <bond id="PROPIONYL-COA-bond22" atomRefs="PROPIONYL-COA-atom37 PROPIONYL-COA-atom43" order="A"/> <bond id="PROPIONYL-COA-bond23" atomRefs="PROPIONYL-COA-atom36 PROPIONYL-COA-atom24" order="1"/> <bond id="PROPIONYL-COA-bond24" atomRefs="PROPIONYL-COA-atom35 PROPIONYL-COA-atom1" order="1"/> <bond id="PROPIONYL-COA-bond25" atomRefs="PROPIONYL-COA-atom34 PROPIONYL-COA-atom51" order="1"/> <bond id="PROPIONYL-COA-bond26" atomRefs="PROPIONYL-COA-atom33 PROPIONYL-COA-atom23" order="1"/> <bond id="PROPIONYL-COA-bond27" atomRefs="PROPIONYL-COA-atom32 PROPIONYL-COA-atom45" order="1"/> <bond id="PROPIONYL-COA-bond28" atomRefs="PROPIONYL-COA-atom31 PROPIONYL-COA-atom15" order="1"/> <bond id="PROPIONYL-COA-bond29" atomRefs="PROPIONYL-COA-atom30 PROPIONYL-COA-atom56" order="1"/> <bond id="PROPIONYL-COA-bond30" atomRefs="PROPIONYL-COA-atom29 PROPIONYL-COA-atom45" order="2"/> <bond id="PROPIONYL-COA-bond31" atomRefs="PROPIONYL-COA-atom28 PROPIONYL-COA-atom56" order="2"/> <bond id="PROPIONYL-COA-bond32" atomRefs="PROPIONYL-COA-atom27 PROPIONYL-COA-atom50" order="1"/> <bond id="PROPIONYL-COA-bond33" atomRefs="PROPIONYL-COA-atom25 PROPIONYL-COA-atom19" order="1"/> <bond id="PROPIONYL-COA-bond34" atomRefs="PROPIONYL-COA-atom24 PROPIONYL-COA-atom21" order="1"/> <bond id="PROPIONYL-COA-bond35" atomRefs="PROPIONYL-COA-atom37 PROPIONYL-COA-atom23" order="A"/> <bond id="PROPIONYL-COA-bond36" atomRefs="PROPIONYL-COA-atom22 PROPIONYL-COA-atom54" order="1"/> <bond id="PROPIONYL-COA-bond37" atomRefs="PROPIONYL-COA-atom21 PROPIONYL-COA-atom31" order="1"/> <bond id="PROPIONYL-COA-bond38" atomRefs="PROPIONYL-COA-atom20 PROPIONYL-COA-atom55" order="1"/> <bond id="PROPIONYL-COA-bond39" atomRefs="PROPIONYL-COA-atom19 PROPIONYL-COA-atom17" order="1"/> <bond id="PROPIONYL-COA-bond40" atomRefs="PROPIONYL-COA-atom18 PROPIONYL-COA-atom8" order="1"/> <bond id="PROPIONYL-COA-bond41" atomRefs="PROPIONYL-COA-atom17 PROPIONYL-COA-atom48" order="1"/> <bond id="PROPIONYL-COA-bond42" atomRefs="PROPIONYL-COA-atom16 PROPIONYL-COA-atom48" order="2"/> <bond id="PROPIONYL-COA-bond43" atomRefs="PROPIONYL-COA-atom15 PROPIONYL-COA-atom18" order="1"/> <bond id="PROPIONYL-COA-bond44" atomRefs="PROPIONYL-COA-atom14 PROPIONYL-COA-atom20" order="2"/> <bond id="PROPIONYL-COA-bond45" atomRefs="PROPIONYL-COA-atom13 PROPIONYL-COA-atom1" order="1"/> <bond id="PROPIONYL-COA-bond46" atomRefs="PROPIONYL-COA-atom12 PROPIONYL-COA-atom25" order="1"/> <bond id="PROPIONYL-COA-bond47" atomRefs="PROPIONYL-COA-atom11 PROPIONYL-COA-atom49" order="A"/> <bond id="PROPIONYL-COA-bond48" atomRefs="PROPIONYL-COA-atom23 PROPIONYL-COA-atom11" order="A"/> <bond 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<atom id="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom1" elementType="H" x2="0.48254" y2="-0.69206"/> <atom id="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom2" elementType="C" x2="0.09841" y2="0.01587"/> <atom id="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom3" elementType="C" x2="-0.20952" y2="-0.39365"/> <atom id="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom4" elementType="H" x2="-0.07937" y2="-0.66984"/> <atom id="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom5" elementType="C" x2="0.88571" y2="0.26984"/> <atom id="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom6" elementType="C" x2="0.48254" y2="-0.52698"/> <atom id="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom7" elementType="P" x2="-0.72381" y2="-0.39365"/> <atom id="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom8" elementType="C" x2="-0.20952" y2="-0.56825"/> <atom id="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom9" elementType="C" x2="0.34921" y2="-0.83492"/> <atom id="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom10" elementType="O" x2="-0.47302" y2="-0.39365"/> <atom id="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom11" elementType="O" x2="0.99683" y2="0.51111"/> <atom id="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom12" elementType="O" x2="-1.0" y2="-0.39365"/> <atom id="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom13" elementType="N" x2="0.48254" y2="0.01587"/> <atom id="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom14" elementType="H" x2="0.34921" y2="-0.66984"/> <atom id="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom15" elementType="N" x2="0.47619" y2="0.26984"/> <atom id="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom16" elementType="O" x2="0.14286" y2="-0.37143"/> <atom id="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom17" elementType="N" x2="-0.09206" y2="-0.18413"/> <atom id="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom18" elementType="O" x2="-0.72381" y2="-0.11746"/> <atom id="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom19" elementType="C" x2="-0.07937" y2="-0.83492"/> <atom id="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom20" elementType="H" x2="-0.20952" y2="-0.73333"/> <atom id="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom21" elementType="O" x2="-0.72381" y2="-0.66984"/> <atom id="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom22" elementType="O" x2="-0.07937" y2="-1.0"/> <atom id="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom23" elementType="O" x2="0.34921" y2="-1.0"/> <atom id="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom24" elementType="C" x2="0.09841" y2="0.26984"/> <bond id="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-bond1" atomRefs="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom24 5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom2" order="1"/> <bond id="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-bond2" atomRefs="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom23 5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom9" order="1"/> <bond id="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-bond3" atomRefs="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom22 5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom19" order="1"/> <bond id="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-bond4" atomRefs="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom21 5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom7" order="1"/> <bond id="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-bond5" atomRefs="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom20 5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom8" order="1"/> <bond id="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-bond6" atomRefs="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom19 5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom9" order="1"/> <bond id="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-bond7" atomRefs="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom18 5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom7" order="2"/> <bond id="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-bond8" atomRefs="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom17 5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom2" order="2"/> <bond id="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-bond9" atomRefs="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom16 5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom6" order="1"/> <bond id="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-bond10" atomRefs="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom15 5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom24" order="1"/> <bond id="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-bond11" atomRefs="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom14 5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom9" order="1"/> <bond id="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-bond12" atomRefs="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom13 5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom6" order="1"/> <bond id="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-bond13" atomRefs="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom12 5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom7" order="1"/> <bond id="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-bond14" atomRefs="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom11 5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom5" order="2"/> <bond id="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-bond15" atomRefs="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom10 5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom3" order="1"/> <bond id="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-bond16" atomRefs="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom8 5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom19" order="1"/> <bond id="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-bond17" atomRefs="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom8 5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom16" order="1"/> <bond id="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-bond18" atomRefs="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom7 5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom10" order="1"/> <bond id="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-bond19" atomRefs="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom6 5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom9" order="1"/> <bond id="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-bond20" atomRefs="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom5 5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom15" order="1"/> <bond id="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-bond21" atomRefs="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom4 5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom19" order="1"/> <bond id="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-bond22" atomRefs="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom3 5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom8" order="1"/> <bond id="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-bond23" atomRefs="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom2 5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom13" order="1"/> <bond id="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-bond24" atomRefs="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom1 5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom6" order="1"/> <formula concise="C 8 H 16 N 3 O 8 P 1" formalCharge="0"/> 313.203 C(=N)(CNC=O)N[CH]1(O[CH]([CH](O)[CH](O)1)COP(=O)(O)O)
5'-phosphoribosyl-N-formyl glycineamidine
phosphoribosylformylglycinamidine cyclo-ligase
<atom id="5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-atom1" elementType="N" x2="5.0719" y2="-2.3503"/> <atom id="5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-atom2" elementType="O" x2="1.3747" y2="-3.4911"/> <atom id="5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-atom3" elementType="O" x2="4.687" y2="-7.9446"/> <atom id="5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-atom4" elementType="O" x2="6.8862" y2="-7.9446"/> <atom id="5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-atom5" elementType="O" x2="0.0" y2="-4.9068"/> <atom id="5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-atom6" elementType="O" x2="1.3747" y2="-6.24"/> <atom id="5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-atom7" elementType="C" x2="6.3779" y2="-0.5224"/> <atom id="5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-atom8" elementType="C" x2="8.5221" y2="-1.2368"/> <atom id="5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-atom9" elementType="C" x2="3.9998" y2="-4.9068"/> <atom id="5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-atom10" elementType="N" x2="7.5737" y2="0.0"/> <atom id="5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-atom11" elementType="O" x2="2.6392" y2="-4.9068"/> <atom id="5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-atom12" elementType="O" x2="5.8278" y2="-4.7693"/> <atom id="5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-atom13" elementType="C" x2="6.3779" y2="-1.8416"/> <atom id="5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-atom14" elementType="C" x2="4.687" y2="-7.1201"/> <atom id="5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-atom15" elementType="C" x2="6.8862" y2="-7.1201"/> <atom id="5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-atom16" elementType="C" x2="3.9998" y2="-5.7591"/> <atom id="5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-atom17" elementType="C" x2="7.6011" y2="-5.5529"/> <atom id="5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-atom18" elementType="N" x2="7.6011" y2="-2.4877"/> <atom id="5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-atom19" elementType="P" x2="1.3747" y2="-4.9068"/> <bond id="5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-bond1" atomRefs="5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-atom17 5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-atom18" order="1"/> <bond id="5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-bond2" atomRefs="5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-atom15 5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-atom17" order="1"/> <bond id="5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-bond3" atomRefs="5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-atom14 5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-atom16" order="1"/> <bond id="5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-bond4" atomRefs="5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-atom14 5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-atom15" order="1"/> <bond id="5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-bond5" atomRefs="5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-atom13 5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-atom18" order="A"/> <bond id="5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-bond6" atomRefs="5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-atom12 5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-atom17" order="1"/> <bond id="5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-bond7" atomRefs="5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-atom12 5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-atom16" order="1"/> <bond id="5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-bond8" atomRefs="5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-atom11 5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-atom19" order="1"/> <bond id="5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-bond9" atomRefs="5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-atom9 5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-atom16" order="1"/> <bond id="5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-bond10" atomRefs="5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-atom9 5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-atom11" order="1"/> <bond id="5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-bond11" atomRefs="5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-atom18 5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-atom8" order="A"/> <bond id="5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-bond12" atomRefs="5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-atom8 5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-atom10" order="A"/> <bond id="5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-bond13" atomRefs="5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-atom7 5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-atom13" order="A"/> <bond id="5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-bond14" atomRefs="5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-atom10 5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-atom7" order="A"/> <bond id="5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-bond15" atomRefs="5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-atom6 5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-atom19" order="1"/> <bond id="5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-bond16" atomRefs="5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-atom5 5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-atom19" order="1"/> <bond id="5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-bond17" atomRefs="5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-atom4 5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-atom15" order="1"/> <bond id="5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-bond18" atomRefs="5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-atom3 5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-atom14" order="1"/> <bond id="5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-bond19" atomRefs="5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-atom2 5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-atom19" order="2"/> <bond id="5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-bond20" atomRefs="5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-atom1 5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-atom13" order="1"/> <formula concise="C 8 H 14 N 3 O 7 P 1" formalCharge="0"/> 295.188 c1(c(N)n(cn1)C2(OC(C(O)C2O)COP(O)(O)=O))
phosphoribosyl-aminoimidazole synthetase
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elementType="C" x2="4.9996" y2="-2.3935"/> <atom id="ADENYLOSUCC-atom29" elementType="C" x2="7.1881" y2="-2.3935"/> <atom id="ADENYLOSUCC-atom30" elementType="N" x2="8.2472" y2="-4.6283"/> <atom id="ADENYLOSUCC-atom31" elementType="C" x2="6.3673" y2="-9.6939"/> <atom id="ADENYLOSUCC-atom32" elementType="P" x2="1.3525" y2="-1.9187"/> <bond id="ADENYLOSUCC-bond1" atomRefs="ADENYLOSUCC-atom29 ADENYLOSUCC-atom30" order="1"/> <bond id="ADENYLOSUCC-bond2" atomRefs="ADENYLOSUCC-atom27 ADENYLOSUCC-atom29" order="1"/> <bond id="ADENYLOSUCC-bond3" atomRefs="ADENYLOSUCC-atom26 ADENYLOSUCC-atom28" order="1"/> <bond id="ADENYLOSUCC-bond4" atomRefs="ADENYLOSUCC-atom26 ADENYLOSUCC-atom27" order="1"/> <bond id="ADENYLOSUCC-bond5" atomRefs="ADENYLOSUCC-atom25 ADENYLOSUCC-atom30" order="A"/> <bond id="ADENYLOSUCC-bond6" atomRefs="ADENYLOSUCC-atom24 ADENYLOSUCC-atom25" order="A"/> <bond id="ADENYLOSUCC-bond7" atomRefs="ADENYLOSUCC-atom23 ADENYLOSUCC-atom24" order="A"/> <bond id="ADENYLOSUCC-bond8" atomRefs="ADENYLOSUCC-atom22 ADENYLOSUCC-atom31" order="1"/> <bond id="ADENYLOSUCC-bond9" atomRefs="ADENYLOSUCC-atom20 ADENYLOSUCC-atom29" order="1"/> <bond id="ADENYLOSUCC-bond10" atomRefs="ADENYLOSUCC-atom20 ADENYLOSUCC-atom28" order="1"/> <bond id="ADENYLOSUCC-bond11" atomRefs="ADENYLOSUCC-atom19 ADENYLOSUCC-atom32" order="1"/> <bond id="ADENYLOSUCC-bond12" atomRefs="ADENYLOSUCC-atom18 ADENYLOSUCC-atom31" order="1"/> <bond id="ADENYLOSUCC-bond13" atomRefs="ADENYLOSUCC-atom18 ADENYLOSUCC-atom23" order="1"/> <bond id="ADENYLOSUCC-bond14" atomRefs="ADENYLOSUCC-atom17 ADENYLOSUCC-atom24" order="A"/> <bond id="ADENYLOSUCC-bond15" atomRefs="ADENYLOSUCC-atom25 ADENYLOSUCC-atom16" order="A"/> <bond id="ADENYLOSUCC-bond16" atomRefs="ADENYLOSUCC-atom15 ADENYLOSUCC-atom23" order="A"/> <bond id="ADENYLOSUCC-bond17" atomRefs="ADENYLOSUCC-atom31 ADENYLOSUCC-atom14" order="1"/> <bond id="ADENYLOSUCC-bond18" atomRefs="ADENYLOSUCC-atom14 ADENYLOSUCC-atom21" order="1"/> <bond id="ADENYLOSUCC-bond19" atomRefs="ADENYLOSUCC-atom28 ADENYLOSUCC-atom13" order="1"/> <bond id="ADENYLOSUCC-bond20" atomRefs="ADENYLOSUCC-atom13 ADENYLOSUCC-atom19" order="1"/> <bond id="ADENYLOSUCC-bond21" atomRefs="ADENYLOSUCC-atom30 ADENYLOSUCC-atom12" order="A"/> <bond id="ADENYLOSUCC-bond22" atomRefs="ADENYLOSUCC-atom12 ADENYLOSUCC-atom17" order="A"/> <bond id="ADENYLOSUCC-bond23" atomRefs="ADENYLOSUCC-atom16 ADENYLOSUCC-atom11" order="A"/> <bond id="ADENYLOSUCC-bond24" atomRefs="ADENYLOSUCC-atom11 ADENYLOSUCC-atom15" order="A"/> <bond id="ADENYLOSUCC-bond25" atomRefs="ADENYLOSUCC-atom10 ADENYLOSUCC-atom32" order="1"/> <bond id="ADENYLOSUCC-bond26" atomRefs="ADENYLOSUCC-atom9 ADENYLOSUCC-atom32" order="1"/> <bond id="ADENYLOSUCC-bond27" atomRefs="ADENYLOSUCC-atom27 ADENYLOSUCC-atom8" order="1"/> <bond id="ADENYLOSUCC-bond28" atomRefs="ADENYLOSUCC-atom26 ADENYLOSUCC-atom7" order="1"/> <bond id="ADENYLOSUCC-bond29" atomRefs="ADENYLOSUCC-atom6 ADENYLOSUCC-atom22" order="1"/> <bond id="ADENYLOSUCC-bond30" atomRefs="ADENYLOSUCC-atom5 ADENYLOSUCC-atom21" order="1"/> <bond id="ADENYLOSUCC-bond31" atomRefs="ADENYLOSUCC-atom4 ADENYLOSUCC-atom32" order="2"/> <bond id="ADENYLOSUCC-bond32" atomRefs="ADENYLOSUCC-atom3 ADENYLOSUCC-atom22" order="2"/> <bond id="ADENYLOSUCC-bond33" atomRefs="ADENYLOSUCC-atom2 ADENYLOSUCC-atom21" order="2"/> <bond id="ADENYLOSUCC-bond34" atomRefs="ADENYLOSUCC-atom31 ADENYLOSUCC-atom1" order="1"/> <formula concise="C 14 H 18 N 5 O 11 P 1" formalCharge="0"/> 463.297 C(OP(O)(O)=O)C1(OC(C(O)C1O)n2(c3(c(nc2)c(ncn3)N[CH](C(O)=O)CC(O)=O)))
<atom id="L-CITRULLINE-atom1" elementType="O" x2="-1.0" y2="-0.69967"/> <atom id="L-CITRULLINE-atom2" elementType="N" x2="-0.49505" y2="-1.0"/> <atom id="L-CITRULLINE-atom3" elementType="C" x2="0.74257" y2="-0.56106"/> <atom id="L-CITRULLINE-atom4" elementType="C" x2="-0.49505" y2="-0.70297"/> <atom id="L-CITRULLINE-atom5" elementType="O" x2="-0.73927" y2="-0.26403"/> <atom id="L-CITRULLINE-atom6" elementType="C" x2="-0.73927" y2="-0.56106"/> <atom id="L-CITRULLINE-atom7" elementType="C" x2="0.24422" y2="-0.56106"/> <atom id="L-CITRULLINE-atom8" elementType="N" x2="0.9967" y2="-0.70957"/> <atom id="L-CITRULLINE-atom9" elementType="O" x2="0.74257" y2="-0.26403"/> <atom id="L-CITRULLINE-atom10" elementType="C" x2="-0.0066" y2="-0.70297"/> <atom id="L-CITRULLINE-atom11" elementType="C" x2="-0.25083" y2="-0.56106"/> <atom id="L-CITRULLINE-atom12" elementType="N" x2="0.48845" y2="-0.70297"/> <bond id="L-CITRULLINE-bond1" atomRefs="L-CITRULLINE-atom12 L-CITRULLINE-atom3" order="1"/> <bond id="L-CITRULLINE-bond2" atomRefs="L-CITRULLINE-atom11 L-CITRULLINE-atom10" order="1"/> <bond id="L-CITRULLINE-bond3" atomRefs="L-CITRULLINE-atom10 L-CITRULLINE-atom7" order="1"/> <bond id="L-CITRULLINE-bond4" atomRefs="L-CITRULLINE-atom9 L-CITRULLINE-atom3" order="2"/> <bond id="L-CITRULLINE-bond5" atomRefs="L-CITRULLINE-atom8 L-CITRULLINE-atom3" order="1"/> <bond id="L-CITRULLINE-bond6" atomRefs="L-CITRULLINE-atom7 L-CITRULLINE-atom12" order="1"/> <bond id="L-CITRULLINE-bond7" atomRefs="L-CITRULLINE-atom6 L-CITRULLINE-atom4" order="1"/> <bond id="L-CITRULLINE-bond8" atomRefs="L-CITRULLINE-atom5 L-CITRULLINE-atom6" order="2"/> <bond id="L-CITRULLINE-bond9" atomRefs="L-CITRULLINE-atom4 L-CITRULLINE-atom11" order="1"/> <bond id="L-CITRULLINE-bond10" atomRefs="L-CITRULLINE-atom2 L-CITRULLINE-atom4" order="1"/> <bond id="L-CITRULLINE-bond11" atomRefs="L-CITRULLINE-atom1 L-CITRULLINE-atom6" order="1"/> <formula concise="C 6 H 13 N 3 O 3" formalCharge="0"/> 175.187 C(O)(=O)C(N)CCCNC(=O)N
α-amino-γ-ureidovaleric acid
<atom id="L-ARGININO-SUCCINATE-atom1" elementType="N" x2="0.79368" y2="-0.15141"/> <atom id="L-ARGININO-SUCCINATE-atom2" elementType="O" x2="0.99667" y2="-0.64725"/> <atom id="L-ARGININO-SUCCINATE-atom3" elementType="C" x2="-0.56073" y2="-0.08486"/> <atom id="L-ARGININO-SUCCINATE-atom4" elementType="C" x2="0.57404" y2="-0.2579"/> <atom id="L-ARGININO-SUCCINATE-atom5" elementType="C" x2="-0.80366" y2="-0.26456"/> <atom id="L-ARGININO-SUCCINATE-atom6" elementType="N" x2="0.57404" y2="-0.43095"/> <atom id="L-ARGININO-SUCCINATE-atom7" elementType="C" x2="0.38436" y2="-0.73045"/> <atom id="L-ARGININO-SUCCINATE-atom8" elementType="O" x2="-0.80366" y2="-0.51082"/> <atom id="L-ARGININO-SUCCINATE-atom9" elementType="O" x2="0.77371" y2="-1.0"/> <atom id="L-ARGININO-SUCCINATE-atom10" elementType="N" x2="-0.56073" y2="0.1614"/> <atom id="L-ARGININO-SUCCINATE-atom11" elementType="C" x2="0.198" y2="-0.61065"/> <atom id="L-ARGININO-SUCCINATE-atom12" elementType="C" x2="-0.32779" y2="-0.22795"/> <atom id="L-ARGININO-SUCCINATE-atom13" elementType="C" x2="0.57404" y2="-0.63394"/> <atom id="L-ARGININO-SUCCINATE-atom14" elementType="N" x2="0.34775" y2="-0.11481"/> <atom id="L-ARGININO-SUCCINATE-atom15" elementType="O" x2="-0.02496" y2="-0.71714"/> <atom id="L-ARGININO-SUCCINATE-atom16" elementType="C" x2="0.77371" y2="-0.75374"/> <atom id="L-ARGININO-SUCCINATE-atom17" elementType="O" x2="0.198" y2="-0.36439"/> <atom id="L-ARGININO-SUCCINATE-atom18" elementType="C" x2="0.12146" y2="-0.23128"/> <atom id="L-ARGININO-SUCCINATE-atom19" elementType="O" x2="-1.0" y2="-0.11814"/> <atom id="L-ARGININO-SUCCINATE-atom20" elementType="C" x2="-0.08486" y2="-0.1015"/> <bond id="L-ARGININO-SUCCINATE-bond1" atomRefs="L-ARGININO-SUCCINATE-atom20 L-ARGININO-SUCCINATE-atom18" order="1"/> <bond id="L-ARGININO-SUCCINATE-bond2" atomRefs="L-ARGININO-SUCCINATE-atom19 L-ARGININO-SUCCINATE-atom5" order="1"/> <bond id="L-ARGININO-SUCCINATE-bond3" atomRefs="L-ARGININO-SUCCINATE-atom18 L-ARGININO-SUCCINATE-atom14" order="1"/> <bond id="L-ARGININO-SUCCINATE-bond4" atomRefs="L-ARGININO-SUCCINATE-atom17 L-ARGININO-SUCCINATE-atom11" order="1"/> <bond id="L-ARGININO-SUCCINATE-bond5" atomRefs="L-ARGININO-SUCCINATE-atom16 L-ARGININO-SUCCINATE-atom13" order="1"/> <bond id="L-ARGININO-SUCCINATE-bond6" atomRefs="L-ARGININO-SUCCINATE-atom15 L-ARGININO-SUCCINATE-atom11" order="2"/> <bond id="L-ARGININO-SUCCINATE-bond7" atomRefs="L-ARGININO-SUCCINATE-atom14 L-ARGININO-SUCCINATE-atom4" order="1"/> <bond id="L-ARGININO-SUCCINATE-bond8" atomRefs="L-ARGININO-SUCCINATE-atom13 L-ARGININO-SUCCINATE-atom6" order="1"/> <bond id="L-ARGININO-SUCCINATE-bond9" atomRefs="L-ARGININO-SUCCINATE-atom12 L-ARGININO-SUCCINATE-atom20" order="1"/> <bond id="L-ARGININO-SUCCINATE-bond10" atomRefs="L-ARGININO-SUCCINATE-atom11 L-ARGININO-SUCCINATE-atom7" order="1"/> <bond id="L-ARGININO-SUCCINATE-bond11" atomRefs="L-ARGININO-SUCCINATE-atom10 L-ARGININO-SUCCINATE-atom3" order="1"/> <bond id="L-ARGININO-SUCCINATE-bond12" atomRefs="L-ARGININO-SUCCINATE-atom9 L-ARGININO-SUCCINATE-atom16" order="1"/> <bond id="L-ARGININO-SUCCINATE-bond13" atomRefs="L-ARGININO-SUCCINATE-atom8 L-ARGININO-SUCCINATE-atom5" order="2"/> <bond id="L-ARGININO-SUCCINATE-bond14" atomRefs="L-ARGININO-SUCCINATE-atom7 L-ARGININO-SUCCINATE-atom13" order="1"/> <bond id="L-ARGININO-SUCCINATE-bond15" atomRefs="L-ARGININO-SUCCINATE-atom6 L-ARGININO-SUCCINATE-atom4" order="1"/> <bond id="L-ARGININO-SUCCINATE-bond16" atomRefs="L-ARGININO-SUCCINATE-atom5 L-ARGININO-SUCCINATE-atom3" order="1"/> <bond id="L-ARGININO-SUCCINATE-bond17" atomRefs="L-ARGININO-SUCCINATE-atom3 L-ARGININO-SUCCINATE-atom12" order="1"/> <bond id="L-ARGININO-SUCCINATE-bond18" atomRefs="L-ARGININO-SUCCINATE-atom2 L-ARGININO-SUCCINATE-atom16" order="2"/> <bond id="L-ARGININO-SUCCINATE-bond19" atomRefs="L-ARGININO-SUCCINATE-atom1 L-ARGININO-SUCCINATE-atom4" order="2"/> <formula concise="C 10 H 18 N 4 O 6" formalCharge="0"/> 290.275 C(=O)(O)C(N)CCCNC(=N)NC(C(O)=O)CC(O)=O
<atom id="HCO3-atom1" elementType="C" x2="-1.0" y2="-0.00153"/> <atom id="HCO3-atom2" elementType="O" x2="-0.00153" y2="-0.00153" formalCharge="-1"/> <atom id="HCO3-atom3" elementType="O" x2="-1.0" y2="0.99695"/> <atom id="HCO3-atom4" elementType="O" x2="-1.0" y2="-1.0"/> <bond id="HCO3-bond1" atomRefs="HCO3-atom4 HCO3-atom1" order="1"/> <bond id="HCO3-bond2" atomRefs="HCO3-atom3 HCO3-atom1" order="2"/> <bond id="HCO3-bond3" atomRefs="HCO3-atom2 HCO3-atom1" order="1"/> <formula concise="C 1 H 1 O 3" formalCharge="-1"/> 61.017 C(=O)(O)[O-]
carbamoyl-phosphate synthetase (glutamine-hydrolysing)
carbamyl phosphate synthetase (glutamine)
glutamine-dependent carbamoyl-phosphate synthetase
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y2="2.0356"/> <atom id="PROTOPORPHYRIN_IX-atom14" elementType="C" x2="4.5549" y2="2.1251"/> <atom id="PROTOPORPHYRIN_IX-atom15" elementType="C" x2="5.2989" y2="-3.857"/> <atom id="PROTOPORPHYRIN_IX-atom16" elementType="C" x2="9.7298" y2="-2.6642"/> <atom id="PROTOPORPHYRIN_IX-atom17" elementType="C" x2="8.8738" y2="0.3368"/> <atom id="PROTOPORPHYRIN_IX-atom18" elementType="C" x2="4.8693" y2="-2.4579"/> <atom id="PROTOPORPHYRIN_IX-atom19" elementType="C" x2="8.4883" y2="-0.3926"/> <atom id="PROTOPORPHYRIN_IX-atom20" elementType="C" x2="5.2549" y2="-1.7286"/> <atom id="PROTOPORPHYRIN_IX-atom21" elementType="C" x2="7.5871" y2="0.5524"/> <atom id="PROTOPORPHYRIN_IX-atom22" elementType="C" x2="6.1753" y2="-2.6927"/> <atom id="PROTOPORPHYRIN_IX-atom23" elementType="C" x2="5.2589" y2="-0.3064"/> <atom id="PROTOPORPHYRIN_IX-atom24" elementType="C" x2="7.6155" y2="-2.715"/> <atom id="PROTOPORPHYRIN_IX-atom25" elementType="C" x2="6.1458" y2="0.5757"/> <atom id="PROTOPORPHYRIN_IX-atom26" 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<atom id="MG+2-atom1" elementType="MG" x2="-1.0" y2="-1.0" formalCharge="2"/> <formula concise="MG 1" formalCharge="2"/> 24.305 [Mg++]
In the vasculature, nitric oxide, which is the active moiety of the endothelium-derived relaxing factor, relaxes smooth muscle and inhibits platelet and leukocyte adhesion. Outside the vasculature, NO participates in the immunologic response to infection and serves as a neurotransmitter.
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Endothelium-derived relaxing factor synthase
Endothelium-derived relaxation factor-forming enzyme
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atomRefs="KDO2-LIPID-IVA-atom116 KDO2-LIPID-IVA-atom119" order="2"/> <bond id="KDO2-LIPID-IVA-bond6" atomRefs="KDO2-LIPID-IVA-atom115 KDO2-LIPID-IVA-atom116" order="1"/> <bond id="KDO2-LIPID-IVA-bond7" atomRefs="KDO2-LIPID-IVA-atom115 KDO2-LIPID-IVA-atom125" order="1"/> <bond id="KDO2-LIPID-IVA-bond8" atomRefs="KDO2-LIPID-IVA-atom114 KDO2-LIPID-IVA-atom117" order="1"/> <bond id="KDO2-LIPID-IVA-bond9" atomRefs="KDO2-LIPID-IVA-atom114 KDO2-LIPID-IVA-atom125" order="1"/> <bond id="KDO2-LIPID-IVA-bond10" atomRefs="KDO2-LIPID-IVA-atom113 KDO2-LIPID-IVA-atom115" order="1"/> <bond id="KDO2-LIPID-IVA-bond11" atomRefs="KDO2-LIPID-IVA-atom112 KDO2-LIPID-IVA-atom124" order="1"/> <bond id="KDO2-LIPID-IVA-bond12" atomRefs="KDO2-LIPID-IVA-atom112 KDO2-LIPID-IVA-atom113" order="1"/> <bond id="KDO2-LIPID-IVA-bond13" atomRefs="KDO2-LIPID-IVA-atom111 KDO2-LIPID-IVA-atom123" order="1"/> <bond id="KDO2-LIPID-IVA-bond14" atomRefs="KDO2-LIPID-IVA-atom111 KDO2-LIPID-IVA-atom112" order="1"/> <bond id="KDO2-LIPID-IVA-bond15" atomRefs="KDO2-LIPID-IVA-atom114 KDO2-LIPID-IVA-atom111" order="1"/> <bond id="KDO2-LIPID-IVA-bond16" atomRefs="KDO2-LIPID-IVA-atom115 KDO2-LIPID-IVA-atom109" order="1"/> <bond id="KDO2-LIPID-IVA-bond17" atomRefs="KDO2-LIPID-IVA-atom97 KDO2-LIPID-IVA-atom109" order="1"/> <bond id="KDO2-LIPID-IVA-bond18" atomRefs="KDO2-LIPID-IVA-atom96 KDO2-LIPID-IVA-atom108" order="1"/> <bond id="KDO2-LIPID-IVA-bond19" atomRefs="KDO2-LIPID-IVA-atom103 KDO2-LIPID-IVA-atom106" order="1"/> <bond id="KDO2-LIPID-IVA-bond20" atomRefs="KDO2-LIPID-IVA-atom102 KDO2-LIPID-IVA-atom107" order="1"/> <bond id="KDO2-LIPID-IVA-bond21" atomRefs="KDO2-LIPID-IVA-atom102 KDO2-LIPID-IVA-atom103" order="1"/> <bond id="KDO2-LIPID-IVA-bond22" atomRefs="KDO2-LIPID-IVA-atom99 KDO2-LIPID-IVA-atom102" order="1"/> <bond id="KDO2-LIPID-IVA-bond23" atomRefs="KDO2-LIPID-IVA-atom101 KDO2-LIPID-IVA-atom105" order="1"/> <bond id="KDO2-LIPID-IVA-bond24" atomRefs="KDO2-LIPID-IVA-atom101 KDO2-LIPID-IVA-atom104" order="2"/> <bond id="KDO2-LIPID-IVA-bond25" atomRefs="KDO2-LIPID-IVA-atom100 KDO2-LIPID-IVA-atom101" order="1"/> <bond id="KDO2-LIPID-IVA-bond26" atomRefs="KDO2-LIPID-IVA-atom97 KDO2-LIPID-IVA-atom98" order="1"/> <bond id="KDO2-LIPID-IVA-bond27" atomRefs="KDO2-LIPID-IVA-atom96 KDO2-LIPID-IVA-atom97" order="1"/> <bond id="KDO2-LIPID-IVA-bond28" atomRefs="KDO2-LIPID-IVA-atom99 KDO2-LIPID-IVA-atom110" order="1"/> <bond id="KDO2-LIPID-IVA-bond29" atomRefs="KDO2-LIPID-IVA-atom99 KDO2-LIPID-IVA-atom96" order="1"/> <bond id="KDO2-LIPID-IVA-bond30" atomRefs="KDO2-LIPID-IVA-atom100 KDO2-LIPID-IVA-atom110" order="1"/> <bond id="KDO2-LIPID-IVA-bond31" atomRefs="KDO2-LIPID-IVA-atom98 KDO2-LIPID-IVA-atom100" order="1"/> <bond id="KDO2-LIPID-IVA-bond32" atomRefs="KDO2-LIPID-IVA-atom100 KDO2-LIPID-IVA-atom95" order="1"/> <bond id="KDO2-LIPID-IVA-bond33" atomRefs="KDO2-LIPID-IVA-atom93 KDO2-LIPID-IVA-atom94" order="1"/> <bond id="KDO2-LIPID-IVA-bond34" atomRefs="KDO2-LIPID-IVA-atom92 KDO2-LIPID-IVA-atom94" order="1"/> <bond id="KDO2-LIPID-IVA-bond35" atomRefs="KDO2-LIPID-IVA-atom91 KDO2-LIPID-IVA-atom94" order="2"/> <bond id="KDO2-LIPID-IVA-bond36" atomRefs="KDO2-LIPID-IVA-atom94 KDO2-LIPID-IVA-atom90" order="1"/> <bond id="KDO2-LIPID-IVA-bond37" atomRefs="KDO2-LIPID-IVA-atom28 KDO2-LIPID-IVA-atom80" order="1"/> <bond id="KDO2-LIPID-IVA-bond38" atomRefs="KDO2-LIPID-IVA-atom88 KDO2-LIPID-IVA-atom89" order="1"/> <bond id="KDO2-LIPID-IVA-bond39" atomRefs="KDO2-LIPID-IVA-atom87 KDO2-LIPID-IVA-atom88" order="1"/> <bond id="KDO2-LIPID-IVA-bond40" atomRefs="KDO2-LIPID-IVA-atom85 KDO2-LIPID-IVA-atom86" order="1"/> <bond id="KDO2-LIPID-IVA-bond41" atomRefs="KDO2-LIPID-IVA-atom85 KDO2-LIPID-IVA-atom89" order="1"/> <bond id="KDO2-LIPID-IVA-bond42" atomRefs="KDO2-LIPID-IVA-atom87 KDO2-LIPID-IVA-atom80" order="1"/> <bond id="KDO2-LIPID-IVA-bond43" atomRefs="KDO2-LIPID-IVA-atom79 KDO2-LIPID-IVA-atom86" order="1"/> <bond id="KDO2-LIPID-IVA-bond44" atomRefs="KDO2-LIPID-IVA-atom79 KDO2-LIPID-IVA-atom87" order="1"/> <bond id="KDO2-LIPID-IVA-bond45" atomRefs="KDO2-LIPID-IVA-atom78 KDO2-LIPID-IVA-atom82" order="1"/> <bond id="KDO2-LIPID-IVA-bond46" atomRefs="KDO2-LIPID-IVA-atom89 KDO2-LIPID-IVA-atom78" order="1"/> <bond id="KDO2-LIPID-IVA-bond47" atomRefs="KDO2-LIPID-IVA-atom77 KDO2-LIPID-IVA-atom81" order="1"/> <bond id="KDO2-LIPID-IVA-bond48" atomRefs="KDO2-LIPID-IVA-atom88 KDO2-LIPID-IVA-atom77" order="1"/> <bond id="KDO2-LIPID-IVA-bond49" atomRefs="KDO2-LIPID-IVA-atom76 KDO2-LIPID-IVA-atom82" order="1"/> <bond id="KDO2-LIPID-IVA-bond50" atomRefs="KDO2-LIPID-IVA-atom76 KDO2-LIPID-IVA-atom84" order="1"/> <bond id="KDO2-LIPID-IVA-bond51" atomRefs="KDO2-LIPID-IVA-atom75 KDO2-LIPID-IVA-atom81" order="1"/> <bond id="KDO2-LIPID-IVA-bond52" atomRefs="KDO2-LIPID-IVA-atom75 KDO2-LIPID-IVA-atom83" order="1"/> <bond id="KDO2-LIPID-IVA-bond53" atomRefs="KDO2-LIPID-IVA-atom74 KDO2-LIPID-IVA-atom84" order="1"/> <bond id="KDO2-LIPID-IVA-bond54" atomRefs="KDO2-LIPID-IVA-atom73 KDO2-LIPID-IVA-atom83" order="1"/> <bond id="KDO2-LIPID-IVA-bond55" atomRefs="KDO2-LIPID-IVA-atom86 KDO2-LIPID-IVA-atom72" order="1"/> <bond id="KDO2-LIPID-IVA-bond56" atomRefs="KDO2-LIPID-IVA-atom71 KDO2-LIPID-IVA-atom74" order="1"/> <bond id="KDO2-LIPID-IVA-bond57" atomRefs="KDO2-LIPID-IVA-atom70 KDO2-LIPID-IVA-atom73" order="1"/> <bond id="KDO2-LIPID-IVA-bond58" atomRefs="KDO2-LIPID-IVA-atom69 KDO2-LIPID-IVA-atom71" order="1"/> <bond id="KDO2-LIPID-IVA-bond59" atomRefs="KDO2-LIPID-IVA-atom68 KDO2-LIPID-IVA-atom70" order="1"/> <bond id="KDO2-LIPID-IVA-bond60" atomRefs="KDO2-LIPID-IVA-atom67 KDO2-LIPID-IVA-atom69" order="1"/> <bond id="KDO2-LIPID-IVA-bond61" atomRefs="KDO2-LIPID-IVA-atom66 KDO2-LIPID-IVA-atom68" order="1"/> <bond id="KDO2-LIPID-IVA-bond62" atomRefs="KDO2-LIPID-IVA-atom65 KDO2-LIPID-IVA-atom67" order="1"/> <bond id="KDO2-LIPID-IVA-bond63" atomRefs="KDO2-LIPID-IVA-atom64 KDO2-LIPID-IVA-atom66" order="1"/> <bond id="KDO2-LIPID-IVA-bond64" atomRefs="KDO2-LIPID-IVA-atom63 KDO2-LIPID-IVA-atom65" order="1"/> <bond id="KDO2-LIPID-IVA-bond65" atomRefs="KDO2-LIPID-IVA-atom62 KDO2-LIPID-IVA-atom64" order="1"/> <bond id="KDO2-LIPID-IVA-bond66" atomRefs="KDO2-LIPID-IVA-atom61 KDO2-LIPID-IVA-atom63" order="1"/> <bond id="KDO2-LIPID-IVA-bond67" atomRefs="KDO2-LIPID-IVA-atom60 KDO2-LIPID-IVA-atom62" order="1"/> <bond id="KDO2-LIPID-IVA-bond68" atomRefs="KDO2-LIPID-IVA-atom59 KDO2-LIPID-IVA-atom61" order="1"/> <bond id="KDO2-LIPID-IVA-bond69" atomRefs="KDO2-LIPID-IVA-atom58 KDO2-LIPID-IVA-atom60" order="1"/> <bond id="KDO2-LIPID-IVA-bond70" atomRefs="KDO2-LIPID-IVA-atom57 KDO2-LIPID-IVA-atom59" order="1"/> <bond id="KDO2-LIPID-IVA-bond71" atomRefs="KDO2-LIPID-IVA-atom56 KDO2-LIPID-IVA-atom58" order="1"/> <bond id="KDO2-LIPID-IVA-bond72" atomRefs="KDO2-LIPID-IVA-atom55 KDO2-LIPID-IVA-atom57" order="1"/> <bond id="KDO2-LIPID-IVA-bond73" atomRefs="KDO2-LIPID-IVA-atom54 KDO2-LIPID-IVA-atom56" order="1"/> <bond id="KDO2-LIPID-IVA-bond74" atomRefs="KDO2-LIPID-IVA-atom85 KDO2-LIPID-IVA-atom90" order="1"/> <bond id="KDO2-LIPID-IVA-bond75" atomRefs="KDO2-LIPID-IVA-atom84 KDO2-LIPID-IVA-atom53" order="1"/> <bond id="KDO2-LIPID-IVA-bond76" atomRefs="KDO2-LIPID-IVA-atom83 KDO2-LIPID-IVA-atom52" order="1"/> <bond id="KDO2-LIPID-IVA-bond77" atomRefs="KDO2-LIPID-IVA-atom95 KDO2-LIPID-IVA-atom72" order="1"/> <bond id="KDO2-LIPID-IVA-bond78" atomRefs="KDO2-LIPID-IVA-atom51 KDO2-LIPID-IVA-atom82" order="2"/> <bond id="KDO2-LIPID-IVA-bond79" atomRefs="KDO2-LIPID-IVA-atom81 KDO2-LIPID-IVA-atom50" order="2"/> <bond id="KDO2-LIPID-IVA-bond80" atomRefs="KDO2-LIPID-IVA-atom49 KDO2-LIPID-IVA-atom55" order="1"/> <bond id="KDO2-LIPID-IVA-bond81" atomRefs="KDO2-LIPID-IVA-atom48 KDO2-LIPID-IVA-atom54" order="1"/> <bond id="KDO2-LIPID-IVA-bond82" atomRefs="KDO2-LIPID-IVA-atom46 KDO2-LIPID-IVA-atom47" order="1"/> <bond id="KDO2-LIPID-IVA-bond83" atomRefs="KDO2-LIPID-IVA-atom37 KDO2-LIPID-IVA-atom3" order="2"/> <bond id="KDO2-LIPID-IVA-bond84" atomRefs="KDO2-LIPID-IVA-atom1 KDO2-LIPID-IVA-atom10" order="1"/> <bond id="KDO2-LIPID-IVA-bond85" atomRefs="KDO2-LIPID-IVA-atom2 KDO2-LIPID-IVA-atom11" order="1"/> <bond id="KDO2-LIPID-IVA-bond86" atomRefs="KDO2-LIPID-IVA-atom4 KDO2-LIPID-IVA-atom38" order="2"/> <bond id="KDO2-LIPID-IVA-bond87" atomRefs="KDO2-LIPID-IVA-atom5 KDO2-LIPID-IVA-atom46" order="2"/> <bond id="KDO2-LIPID-IVA-bond88" atomRefs="KDO2-LIPID-IVA-atom39 KDO2-LIPID-IVA-atom6" order="1"/> <bond id="KDO2-LIPID-IVA-bond89" atomRefs="KDO2-LIPID-IVA-atom40 KDO2-LIPID-IVA-atom7" order="1"/> <bond id="KDO2-LIPID-IVA-bond90" atomRefs="KDO2-LIPID-IVA-atom41 KDO2-LIPID-IVA-atom8" order="1"/> <bond id="KDO2-LIPID-IVA-bond91" atomRefs="KDO2-LIPID-IVA-atom9 KDO2-LIPID-IVA-atom46" order="1"/> <bond id="KDO2-LIPID-IVA-bond92" atomRefs="KDO2-LIPID-IVA-atom10 KDO2-LIPID-IVA-atom12" order="1"/> <bond id="KDO2-LIPID-IVA-bond93" atomRefs="KDO2-LIPID-IVA-atom11 KDO2-LIPID-IVA-atom13" order="1"/> <bond id="KDO2-LIPID-IVA-bond94" atomRefs="KDO2-LIPID-IVA-atom12 KDO2-LIPID-IVA-atom14" order="1"/> <bond id="KDO2-LIPID-IVA-bond95" atomRefs="KDO2-LIPID-IVA-atom13 KDO2-LIPID-IVA-atom15" order="1"/> <bond id="KDO2-LIPID-IVA-bond96" atomRefs="KDO2-LIPID-IVA-atom14 KDO2-LIPID-IVA-atom16" order="1"/> <bond id="KDO2-LIPID-IVA-bond97" atomRefs="KDO2-LIPID-IVA-atom15 KDO2-LIPID-IVA-atom17" order="1"/> <bond id="KDO2-LIPID-IVA-bond98" atomRefs="KDO2-LIPID-IVA-atom16 KDO2-LIPID-IVA-atom18" order="1"/> <bond id="KDO2-LIPID-IVA-bond99" atomRefs="KDO2-LIPID-IVA-atom17 KDO2-LIPID-IVA-atom19" order="1"/> <bond id="KDO2-LIPID-IVA-bond100" atomRefs="KDO2-LIPID-IVA-atom18 KDO2-LIPID-IVA-atom20" order="1"/> <bond id="KDO2-LIPID-IVA-bond101" atomRefs="KDO2-LIPID-IVA-atom19 KDO2-LIPID-IVA-atom21" order="1"/> <bond id="KDO2-LIPID-IVA-bond102" atomRefs="KDO2-LIPID-IVA-atom20 KDO2-LIPID-IVA-atom22" order="1"/> <bond id="KDO2-LIPID-IVA-bond103" atomRefs="KDO2-LIPID-IVA-atom21 KDO2-LIPID-IVA-atom23" order="1"/> <bond id="KDO2-LIPID-IVA-bond104" atomRefs="KDO2-LIPID-IVA-atom22 KDO2-LIPID-IVA-atom24" order="1"/> <bond id="KDO2-LIPID-IVA-bond105" atomRefs="KDO2-LIPID-IVA-atom23 KDO2-LIPID-IVA-atom25" order="1"/> <bond id="KDO2-LIPID-IVA-bond106" atomRefs="KDO2-LIPID-IVA-atom24 KDO2-LIPID-IVA-atom26" order="1"/> <bond id="KDO2-LIPID-IVA-bond107" atomRefs="KDO2-LIPID-IVA-atom25 KDO2-LIPID-IVA-atom27" order="1"/> <bond id="KDO2-LIPID-IVA-bond108" atomRefs="KDO2-LIPID-IVA-atom26 KDO2-LIPID-IVA-atom29" order="1"/> <bond id="KDO2-LIPID-IVA-bond109" atomRefs="KDO2-LIPID-IVA-atom27 KDO2-LIPID-IVA-atom30" order="1"/> <bond id="KDO2-LIPID-IVA-bond110" atomRefs="KDO2-LIPID-IVA-atom42 KDO2-LIPID-IVA-atom28" order="1"/> <bond id="KDO2-LIPID-IVA-bond111" atomRefs="KDO2-LIPID-IVA-atom29 KDO2-LIPID-IVA-atom39" order="1"/> <bond id="KDO2-LIPID-IVA-bond112" atomRefs="KDO2-LIPID-IVA-atom30 KDO2-LIPID-IVA-atom40" order="1"/> <bond id="KDO2-LIPID-IVA-bond113" atomRefs="KDO2-LIPID-IVA-atom31 KDO2-LIPID-IVA-atom37" order="1"/> <bond 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KDO2-LAUROYL-LIPID-IVA-atom126" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond12" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom125 KDO2-LAUROYL-LIPID-IVA-atom137" order="2"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond13" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom124 KDO2-LAUROYL-LIPID-IVA-atom125" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond14" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom116 KDO2-LAUROYL-LIPID-IVA-atom119" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond15" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom115 KDO2-LAUROYL-LIPID-IVA-atom120" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond16" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom115 KDO2-LAUROYL-LIPID-IVA-atom116" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond17" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom114 KDO2-LAUROYL-LIPID-IVA-atom118" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond18" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom114 KDO2-LAUROYL-LIPID-IVA-atom117" order="2"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond19" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom113 KDO2-LAUROYL-LIPID-IVA-atom114" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond20" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom113 KDO2-LAUROYL-LIPID-IVA-atom123" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond21" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom112 KDO2-LAUROYL-LIPID-IVA-atom115" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond22" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom112 KDO2-LAUROYL-LIPID-IVA-atom123" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond23" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom111 KDO2-LAUROYL-LIPID-IVA-atom113" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond24" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom110 KDO2-LAUROYL-LIPID-IVA-atom122" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond25" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom110 KDO2-LAUROYL-LIPID-IVA-atom111" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond26" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom109 KDO2-LAUROYL-LIPID-IVA-atom121" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond27" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom109 KDO2-LAUROYL-LIPID-IVA-atom110" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond28" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom112 KDO2-LAUROYL-LIPID-IVA-atom109" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond29" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom113 KDO2-LAUROYL-LIPID-IVA-atom107" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond30" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom95 KDO2-LAUROYL-LIPID-IVA-atom107" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond31" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom94 KDO2-LAUROYL-LIPID-IVA-atom106" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond32" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom101 KDO2-LAUROYL-LIPID-IVA-atom104" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond33" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom100 KDO2-LAUROYL-LIPID-IVA-atom105" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond34" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom100 KDO2-LAUROYL-LIPID-IVA-atom101" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond35" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom97 KDO2-LAUROYL-LIPID-IVA-atom100" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond36" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom99 KDO2-LAUROYL-LIPID-IVA-atom103" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond37" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom99 KDO2-LAUROYL-LIPID-IVA-atom102" order="2"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond38" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom98 KDO2-LAUROYL-LIPID-IVA-atom99" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond39" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom95 KDO2-LAUROYL-LIPID-IVA-atom96" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond40" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom94 KDO2-LAUROYL-LIPID-IVA-atom95" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond41" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom97 KDO2-LAUROYL-LIPID-IVA-atom108" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond42" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom97 KDO2-LAUROYL-LIPID-IVA-atom94" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond43" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom98 KDO2-LAUROYL-LIPID-IVA-atom108" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond44" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom96 KDO2-LAUROYL-LIPID-IVA-atom98" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond45" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom98 KDO2-LAUROYL-LIPID-IVA-atom93" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond46" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom91 KDO2-LAUROYL-LIPID-IVA-atom92" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond47" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom90 KDO2-LAUROYL-LIPID-IVA-atom92" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond48" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom89 KDO2-LAUROYL-LIPID-IVA-atom92" order="2"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond49" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom92 KDO2-LAUROYL-LIPID-IVA-atom88" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond50" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom28 KDO2-LAUROYL-LIPID-IVA-atom78" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond51" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom86 KDO2-LAUROYL-LIPID-IVA-atom87" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond52" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom85 KDO2-LAUROYL-LIPID-IVA-atom86" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond53" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom83 KDO2-LAUROYL-LIPID-IVA-atom84" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond54" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom83 KDO2-LAUROYL-LIPID-IVA-atom87" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond55" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom85 KDO2-LAUROYL-LIPID-IVA-atom78" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond56" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom77 KDO2-LAUROYL-LIPID-IVA-atom84" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond57" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom77 KDO2-LAUROYL-LIPID-IVA-atom85" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond58" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom76 KDO2-LAUROYL-LIPID-IVA-atom80" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond59" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom87 KDO2-LAUROYL-LIPID-IVA-atom76" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond60" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom75 KDO2-LAUROYL-LIPID-IVA-atom79" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond61" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom86 KDO2-LAUROYL-LIPID-IVA-atom75" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond62" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom74 KDO2-LAUROYL-LIPID-IVA-atom80" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond63" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom74 KDO2-LAUROYL-LIPID-IVA-atom82" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond64" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom73 KDO2-LAUROYL-LIPID-IVA-atom79" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond65" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom73 KDO2-LAUROYL-LIPID-IVA-atom81" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond66" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom72 KDO2-LAUROYL-LIPID-IVA-atom82" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond67" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom71 KDO2-LAUROYL-LIPID-IVA-atom81" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond68" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom84 KDO2-LAUROYL-LIPID-IVA-atom70" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond69" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom69 KDO2-LAUROYL-LIPID-IVA-atom72" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond70" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom68 KDO2-LAUROYL-LIPID-IVA-atom71" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond71" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom67 KDO2-LAUROYL-LIPID-IVA-atom69" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond72" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom66 KDO2-LAUROYL-LIPID-IVA-atom68" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond73" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom65 KDO2-LAUROYL-LIPID-IVA-atom67" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond74" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom64 KDO2-LAUROYL-LIPID-IVA-atom66" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond75" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom63 KDO2-LAUROYL-LIPID-IVA-atom65" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond76" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom62 KDO2-LAUROYL-LIPID-IVA-atom64" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond77" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom61 KDO2-LAUROYL-LIPID-IVA-atom63" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond78" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom60 KDO2-LAUROYL-LIPID-IVA-atom62" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond79" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom59 KDO2-LAUROYL-LIPID-IVA-atom61" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond80" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom58 KDO2-LAUROYL-LIPID-IVA-atom60" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond81" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom57 KDO2-LAUROYL-LIPID-IVA-atom59" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond82" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom56 KDO2-LAUROYL-LIPID-IVA-atom58" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond83" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom55 KDO2-LAUROYL-LIPID-IVA-atom57" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond84" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom54 KDO2-LAUROYL-LIPID-IVA-atom56" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond85" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom53 KDO2-LAUROYL-LIPID-IVA-atom55" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond86" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom52 KDO2-LAUROYL-LIPID-IVA-atom54" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond87" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom83 KDO2-LAUROYL-LIPID-IVA-atom88" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond88" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom82 KDO2-LAUROYL-LIPID-IVA-atom138" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond89" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom81 KDO2-LAUROYL-LIPID-IVA-atom124" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond90" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom93 KDO2-LAUROYL-LIPID-IVA-atom70" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond91" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom51 KDO2-LAUROYL-LIPID-IVA-atom80" order="2"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond92" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom79 KDO2-LAUROYL-LIPID-IVA-atom50" order="2"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond93" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom49 KDO2-LAUROYL-LIPID-IVA-atom53" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond94" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom48 KDO2-LAUROYL-LIPID-IVA-atom52" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond95" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom46 KDO2-LAUROYL-LIPID-IVA-atom47" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond96" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom37 KDO2-LAUROYL-LIPID-IVA-atom3" order="2"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond97" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom1 KDO2-LAUROYL-LIPID-IVA-atom10" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond98" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom2 KDO2-LAUROYL-LIPID-IVA-atom11" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond99" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom4 KDO2-LAUROYL-LIPID-IVA-atom38" order="2"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond100" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom5 KDO2-LAUROYL-LIPID-IVA-atom46" order="2"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond101" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom39 KDO2-LAUROYL-LIPID-IVA-atom6" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond102" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom40 KDO2-LAUROYL-LIPID-IVA-atom7" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond103" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom41 KDO2-LAUROYL-LIPID-IVA-atom8" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond104" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom9 KDO2-LAUROYL-LIPID-IVA-atom46" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond105" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom10 KDO2-LAUROYL-LIPID-IVA-atom12" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond106" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom11 KDO2-LAUROYL-LIPID-IVA-atom13" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond107" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom12 KDO2-LAUROYL-LIPID-IVA-atom14" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond108" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom13 KDO2-LAUROYL-LIPID-IVA-atom15" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond109" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom14 KDO2-LAUROYL-LIPID-IVA-atom16" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond110" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom15 KDO2-LAUROYL-LIPID-IVA-atom17" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond111" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom16 KDO2-LAUROYL-LIPID-IVA-atom18" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond112" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom17 KDO2-LAUROYL-LIPID-IVA-atom19" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond113" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom18 KDO2-LAUROYL-LIPID-IVA-atom20" order="1"/> <bond id="KDO2-LAUROYL-LIPID-IVA-bond114" atomRefs="KDO2-LAUROYL-LIPID-IVA-atom19 KDO2-LAUROYL-LIPID-IVA-atom21" order="1"/> <bond 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KDO2-PALMITOLEOYL-LIPID-IVA-atom93" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond51" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom91 KDO2-PALMITOLEOYL-LIPID-IVA-atom93" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond52" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom90 KDO2-PALMITOLEOYL-LIPID-IVA-atom93" order="2"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond53" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom93 KDO2-PALMITOLEOYL-LIPID-IVA-atom89" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond54" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom28 KDO2-PALMITOLEOYL-LIPID-IVA-atom79" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond55" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom87 KDO2-PALMITOLEOYL-LIPID-IVA-atom88" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond56" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom86 KDO2-PALMITOLEOYL-LIPID-IVA-atom87" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond57" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom84 KDO2-PALMITOLEOYL-LIPID-IVA-atom85" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond58" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom84 KDO2-PALMITOLEOYL-LIPID-IVA-atom88" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond59" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom86 KDO2-PALMITOLEOYL-LIPID-IVA-atom79" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond60" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom78 KDO2-PALMITOLEOYL-LIPID-IVA-atom85" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond61" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom78 KDO2-PALMITOLEOYL-LIPID-IVA-atom86" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond62" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom77 KDO2-PALMITOLEOYL-LIPID-IVA-atom81" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond63" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom88 KDO2-PALMITOLEOYL-LIPID-IVA-atom77" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond64" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom76 KDO2-PALMITOLEOYL-LIPID-IVA-atom80" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond65" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom87 KDO2-PALMITOLEOYL-LIPID-IVA-atom76" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond66" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom75 KDO2-PALMITOLEOYL-LIPID-IVA-atom81" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond67" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom75 KDO2-PALMITOLEOYL-LIPID-IVA-atom83" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond68" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom74 KDO2-PALMITOLEOYL-LIPID-IVA-atom80" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond69" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom74 KDO2-PALMITOLEOYL-LIPID-IVA-atom82" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond70" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom73 KDO2-PALMITOLEOYL-LIPID-IVA-atom83" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond71" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom72 KDO2-PALMITOLEOYL-LIPID-IVA-atom82" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond72" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom85 KDO2-PALMITOLEOYL-LIPID-IVA-atom71" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond73" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom70 KDO2-PALMITOLEOYL-LIPID-IVA-atom73" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond74" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom69 KDO2-PALMITOLEOYL-LIPID-IVA-atom72" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond75" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom68 KDO2-PALMITOLEOYL-LIPID-IVA-atom70" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond76" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom67 KDO2-PALMITOLEOYL-LIPID-IVA-atom69" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond77" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom66 KDO2-PALMITOLEOYL-LIPID-IVA-atom68" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond78" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom65 KDO2-PALMITOLEOYL-LIPID-IVA-atom67" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond79" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom64 KDO2-PALMITOLEOYL-LIPID-IVA-atom66" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond80" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom63 KDO2-PALMITOLEOYL-LIPID-IVA-atom65" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond81" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom62 KDO2-PALMITOLEOYL-LIPID-IVA-atom64" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond82" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom61 KDO2-PALMITOLEOYL-LIPID-IVA-atom63" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond83" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom60 KDO2-PALMITOLEOYL-LIPID-IVA-atom62" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond84" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom59 KDO2-PALMITOLEOYL-LIPID-IVA-atom61" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond85" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom58 KDO2-PALMITOLEOYL-LIPID-IVA-atom60" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond86" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom57 KDO2-PALMITOLEOYL-LIPID-IVA-atom59" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond87" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom56 KDO2-PALMITOLEOYL-LIPID-IVA-atom58" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond88" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom55 KDO2-PALMITOLEOYL-LIPID-IVA-atom57" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond89" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom54 KDO2-PALMITOLEOYL-LIPID-IVA-atom56" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond90" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom53 KDO2-PALMITOLEOYL-LIPID-IVA-atom55" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond91" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom84 KDO2-PALMITOLEOYL-LIPID-IVA-atom89" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond92" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom83 KDO2-PALMITOLEOYL-LIPID-IVA-atom52" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond93" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom82 KDO2-PALMITOLEOYL-LIPID-IVA-atom125" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond94" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom94 KDO2-PALMITOLEOYL-LIPID-IVA-atom71" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond95" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom51 KDO2-PALMITOLEOYL-LIPID-IVA-atom81" order="2"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond96" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom80 KDO2-PALMITOLEOYL-LIPID-IVA-atom50" order="2"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond97" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom49 KDO2-PALMITOLEOYL-LIPID-IVA-atom54" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond98" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom48 KDO2-PALMITOLEOYL-LIPID-IVA-atom53" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond99" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom46 KDO2-PALMITOLEOYL-LIPID-IVA-atom47" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond100" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom37 KDO2-PALMITOLEOYL-LIPID-IVA-atom3" order="2"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond101" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom1 KDO2-PALMITOLEOYL-LIPID-IVA-atom10" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond102" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom2 KDO2-PALMITOLEOYL-LIPID-IVA-atom11" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond103" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom4 KDO2-PALMITOLEOYL-LIPID-IVA-atom38" order="2"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond104" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom5 KDO2-PALMITOLEOYL-LIPID-IVA-atom46" order="2"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond105" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom39 KDO2-PALMITOLEOYL-LIPID-IVA-atom6" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond106" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom40 KDO2-PALMITOLEOYL-LIPID-IVA-atom7" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond107" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom41 KDO2-PALMITOLEOYL-LIPID-IVA-atom8" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond108" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom9 KDO2-PALMITOLEOYL-LIPID-IVA-atom46" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond109" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom10 KDO2-PALMITOLEOYL-LIPID-IVA-atom12" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond110" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom11 KDO2-PALMITOLEOYL-LIPID-IVA-atom13" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond111" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom12 KDO2-PALMITOLEOYL-LIPID-IVA-atom14" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond112" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom13 KDO2-PALMITOLEOYL-LIPID-IVA-atom15" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond113" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom14 KDO2-PALMITOLEOYL-LIPID-IVA-atom16" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond114" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom15 KDO2-PALMITOLEOYL-LIPID-IVA-atom17" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond115" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom16 KDO2-PALMITOLEOYL-LIPID-IVA-atom18" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond116" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom17 KDO2-PALMITOLEOYL-LIPID-IVA-atom19" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond117" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom18 KDO2-PALMITOLEOYL-LIPID-IVA-atom20" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond118" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom19 KDO2-PALMITOLEOYL-LIPID-IVA-atom21" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond119" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom20 KDO2-PALMITOLEOYL-LIPID-IVA-atom22" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond120" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom21 KDO2-PALMITOLEOYL-LIPID-IVA-atom23" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond121" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom22 KDO2-PALMITOLEOYL-LIPID-IVA-atom24" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond122" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom23 KDO2-PALMITOLEOYL-LIPID-IVA-atom25" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond123" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom24 KDO2-PALMITOLEOYL-LIPID-IVA-atom26" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond124" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom25 KDO2-PALMITOLEOYL-LIPID-IVA-atom27" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond125" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom26 KDO2-PALMITOLEOYL-LIPID-IVA-atom29" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond126" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom27 KDO2-PALMITOLEOYL-LIPID-IVA-atom30" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond127" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom42 KDO2-PALMITOLEOYL-LIPID-IVA-atom28" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond128" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom29 KDO2-PALMITOLEOYL-LIPID-IVA-atom39" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond129" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom30 KDO2-PALMITOLEOYL-LIPID-IVA-atom40" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond130" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom31 KDO2-PALMITOLEOYL-LIPID-IVA-atom37" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond131" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom31 KDO2-PALMITOLEOYL-LIPID-IVA-atom39" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond132" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom32 KDO2-PALMITOLEOYL-LIPID-IVA-atom38" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond133" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom32 KDO2-PALMITOLEOYL-LIPID-IVA-atom40" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond134" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom33 KDO2-PALMITOLEOYL-LIPID-IVA-atom37" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond135" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom44 KDO2-PALMITOLEOYL-LIPID-IVA-atom33" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond136" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom34 KDO2-PALMITOLEOYL-LIPID-IVA-atom38" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond137" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom45 KDO2-PALMITOLEOYL-LIPID-IVA-atom34" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond138" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom35 KDO2-PALMITOLEOYL-LIPID-IVA-atom42" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond139" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom35 KDO2-PALMITOLEOYL-LIPID-IVA-atom43" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond140" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom43 KDO2-PALMITOLEOYL-LIPID-IVA-atom36" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond141" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom36 KDO2-PALMITOLEOYL-LIPID-IVA-atom46" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond142" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom41 KDO2-PALMITOLEOYL-LIPID-IVA-atom42" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond143" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom41 KDO2-PALMITOLEOYL-LIPID-IVA-atom45" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond144" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom43 KDO2-PALMITOLEOYL-LIPID-IVA-atom44" order="1"/> <bond id="KDO2-PALMITOLEOYL-LIPID-IVA-bond145" atomRefs="KDO2-PALMITOLEOYL-LIPID-IVA-atom44 KDO2-PALMITOLEOYL-LIPID-IVA-atom45" order="1"/> <formula concise="C 100 H 182 N 2 O 38 P 2" formalCharge="0"/> 2082.476 CCCCCCCCCCCC(O)CC(=O)NC1(C(OP(=O)(O)O)OC(C(O)C1OC(=O)CC(O)CCCCCCCCCCC)COC2(C(C(OC(=O)CC(O)CCCCCCCCCCC)C(OP(O)(O)=O)C(O2)COC3(CC(C(O)C(O3)C(O)CO)OC4(OC(C(O)CO)C(O)C(O)C4)(C(O)=O))(C(O)=O))NC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCC))
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<bond id="KDO2-LIPID-IVA-COLD-bond104" atomRefs="KDO2-LIPID-IVA-COLD-atom53 KDO2-LIPID-IVA-COLD-atom55" order="1"/> <bond id="KDO2-LIPID-IVA-COLD-bond105" atomRefs="KDO2-LIPID-IVA-COLD-atom52 KDO2-LIPID-IVA-COLD-atom54" order="1"/> <bond id="KDO2-LIPID-IVA-COLD-bond106" atomRefs="KDO2-LIPID-IVA-COLD-atom83 KDO2-LIPID-IVA-COLD-atom88" order="1"/> <bond id="KDO2-LIPID-IVA-COLD-bond107" atomRefs="KDO2-LIPID-IVA-COLD-atom82 KDO2-LIPID-IVA-COLD-atom142" order="1"/> <bond id="KDO2-LIPID-IVA-COLD-bond108" atomRefs="KDO2-LIPID-IVA-COLD-atom81 KDO2-LIPID-IVA-COLD-atom124" order="1"/> <bond id="KDO2-LIPID-IVA-COLD-bond109" atomRefs="KDO2-LIPID-IVA-COLD-atom93 KDO2-LIPID-IVA-COLD-atom70" order="1"/> <bond id="KDO2-LIPID-IVA-COLD-bond110" atomRefs="KDO2-LIPID-IVA-COLD-atom51 KDO2-LIPID-IVA-COLD-atom80" order="2"/> <bond id="KDO2-LIPID-IVA-COLD-bond111" atomRefs="KDO2-LIPID-IVA-COLD-atom79 KDO2-LIPID-IVA-COLD-atom50" order="2"/> <bond id="KDO2-LIPID-IVA-COLD-bond112" atomRefs="KDO2-LIPID-IVA-COLD-atom49 KDO2-LIPID-IVA-COLD-atom53" order="1"/> <bond id="KDO2-LIPID-IVA-COLD-bond113" atomRefs="KDO2-LIPID-IVA-COLD-atom48 KDO2-LIPID-IVA-COLD-atom52" order="1"/> <bond id="KDO2-LIPID-IVA-COLD-bond114" atomRefs="KDO2-LIPID-IVA-COLD-atom46 KDO2-LIPID-IVA-COLD-atom47" order="1"/> <bond id="KDO2-LIPID-IVA-COLD-bond115" atomRefs="KDO2-LIPID-IVA-COLD-atom37 KDO2-LIPID-IVA-COLD-atom3" order="2"/> <bond id="KDO2-LIPID-IVA-COLD-bond116" atomRefs="KDO2-LIPID-IVA-COLD-atom1 KDO2-LIPID-IVA-COLD-atom10" order="1"/> <bond id="KDO2-LIPID-IVA-COLD-bond117" atomRefs="KDO2-LIPID-IVA-COLD-atom2 KDO2-LIPID-IVA-COLD-atom11" order="1"/> <bond id="KDO2-LIPID-IVA-COLD-bond118" atomRefs="KDO2-LIPID-IVA-COLD-atom4 KDO2-LIPID-IVA-COLD-atom38" order="2"/> <bond id="KDO2-LIPID-IVA-COLD-bond119" atomRefs="KDO2-LIPID-IVA-COLD-atom5 KDO2-LIPID-IVA-COLD-atom46" order="2"/> <bond id="KDO2-LIPID-IVA-COLD-bond120" atomRefs="KDO2-LIPID-IVA-COLD-atom39 KDO2-LIPID-IVA-COLD-atom6" order="1"/> <bond id="KDO2-LIPID-IVA-COLD-bond121" atomRefs="KDO2-LIPID-IVA-COLD-atom40 KDO2-LIPID-IVA-COLD-atom7" order="1"/> <bond id="KDO2-LIPID-IVA-COLD-bond122" atomRefs="KDO2-LIPID-IVA-COLD-atom41 KDO2-LIPID-IVA-COLD-atom8" order="1"/> <bond id="KDO2-LIPID-IVA-COLD-bond123" atomRefs="KDO2-LIPID-IVA-COLD-atom9 KDO2-LIPID-IVA-COLD-atom46" order="1"/> <bond id="KDO2-LIPID-IVA-COLD-bond124" atomRefs="KDO2-LIPID-IVA-COLD-atom10 KDO2-LIPID-IVA-COLD-atom12" order="1"/> <bond id="KDO2-LIPID-IVA-COLD-bond125" atomRefs="KDO2-LIPID-IVA-COLD-atom11 KDO2-LIPID-IVA-COLD-atom13" order="1"/> <bond id="KDO2-LIPID-IVA-COLD-bond126" atomRefs="KDO2-LIPID-IVA-COLD-atom12 KDO2-LIPID-IVA-COLD-atom14" order="1"/> <bond id="KDO2-LIPID-IVA-COLD-bond127" atomRefs="KDO2-LIPID-IVA-COLD-atom13 KDO2-LIPID-IVA-COLD-atom15" order="1"/> <bond id="KDO2-LIPID-IVA-COLD-bond128" atomRefs="KDO2-LIPID-IVA-COLD-atom14 KDO2-LIPID-IVA-COLD-atom16" order="1"/> <bond id="KDO2-LIPID-IVA-COLD-bond129" atomRefs="KDO2-LIPID-IVA-COLD-atom15 KDO2-LIPID-IVA-COLD-atom17" order="1"/> <bond id="KDO2-LIPID-IVA-COLD-bond130" atomRefs="KDO2-LIPID-IVA-COLD-atom16 KDO2-LIPID-IVA-COLD-atom18" order="1"/> <bond id="KDO2-LIPID-IVA-COLD-bond131" atomRefs="KDO2-LIPID-IVA-COLD-atom17 KDO2-LIPID-IVA-COLD-atom19" order="1"/> <bond id="KDO2-LIPID-IVA-COLD-bond132" atomRefs="KDO2-LIPID-IVA-COLD-atom18 KDO2-LIPID-IVA-COLD-atom20" order="1"/> <bond id="KDO2-LIPID-IVA-COLD-bond133" atomRefs="KDO2-LIPID-IVA-COLD-atom19 KDO2-LIPID-IVA-COLD-atom21" order="1"/> <bond id="KDO2-LIPID-IVA-COLD-bond134" atomRefs="KDO2-LIPID-IVA-COLD-atom20 KDO2-LIPID-IVA-COLD-atom22" order="1"/> <bond id="KDO2-LIPID-IVA-COLD-bond135" atomRefs="KDO2-LIPID-IVA-COLD-atom21 KDO2-LIPID-IVA-COLD-atom23" order="1"/> <bond id="KDO2-LIPID-IVA-COLD-bond136" atomRefs="KDO2-LIPID-IVA-COLD-atom22 KDO2-LIPID-IVA-COLD-atom24" order="1"/> <bond id="KDO2-LIPID-IVA-COLD-bond137" atomRefs="KDO2-LIPID-IVA-COLD-atom23 KDO2-LIPID-IVA-COLD-atom25" order="1"/> <bond id="KDO2-LIPID-IVA-COLD-bond138" atomRefs="KDO2-LIPID-IVA-COLD-atom24 KDO2-LIPID-IVA-COLD-atom26" order="1"/> <bond id="KDO2-LIPID-IVA-COLD-bond139" atomRefs="KDO2-LIPID-IVA-COLD-atom25 KDO2-LIPID-IVA-COLD-atom27" order="1"/> <bond id="KDO2-LIPID-IVA-COLD-bond140" atomRefs="KDO2-LIPID-IVA-COLD-atom26 KDO2-LIPID-IVA-COLD-atom29" order="1"/> <bond id="KDO2-LIPID-IVA-COLD-bond141" atomRefs="KDO2-LIPID-IVA-COLD-atom27 KDO2-LIPID-IVA-COLD-atom30" order="1"/> <bond id="KDO2-LIPID-IVA-COLD-bond142" atomRefs="KDO2-LIPID-IVA-COLD-atom42 KDO2-LIPID-IVA-COLD-atom28" order="1"/> <bond id="KDO2-LIPID-IVA-COLD-bond143" atomRefs="KDO2-LIPID-IVA-COLD-atom29 KDO2-LIPID-IVA-COLD-atom39" order="1"/> <bond id="KDO2-LIPID-IVA-COLD-bond144" atomRefs="KDO2-LIPID-IVA-COLD-atom30 KDO2-LIPID-IVA-COLD-atom40" order="1"/> <bond id="KDO2-LIPID-IVA-COLD-bond145" atomRefs="KDO2-LIPID-IVA-COLD-atom31 KDO2-LIPID-IVA-COLD-atom37" order="1"/> <bond id="KDO2-LIPID-IVA-COLD-bond146" atomRefs="KDO2-LIPID-IVA-COLD-atom31 KDO2-LIPID-IVA-COLD-atom39" order="1"/> <bond id="KDO2-LIPID-IVA-COLD-bond147" atomRefs="KDO2-LIPID-IVA-COLD-atom32 KDO2-LIPID-IVA-COLD-atom38" order="1"/> <bond id="KDO2-LIPID-IVA-COLD-bond148" atomRefs="KDO2-LIPID-IVA-COLD-atom32 KDO2-LIPID-IVA-COLD-atom40" order="1"/> <bond id="KDO2-LIPID-IVA-COLD-bond149" atomRefs="KDO2-LIPID-IVA-COLD-atom33 KDO2-LIPID-IVA-COLD-atom37" order="1"/> <bond id="KDO2-LIPID-IVA-COLD-bond150" atomRefs="KDO2-LIPID-IVA-COLD-atom44 KDO2-LIPID-IVA-COLD-atom33" order="1"/> <bond id="KDO2-LIPID-IVA-COLD-bond151" atomRefs="KDO2-LIPID-IVA-COLD-atom34 KDO2-LIPID-IVA-COLD-atom38" order="1"/> <bond id="KDO2-LIPID-IVA-COLD-bond152" atomRefs="KDO2-LIPID-IVA-COLD-atom45 KDO2-LIPID-IVA-COLD-atom34" order="1"/> <bond id="KDO2-LIPID-IVA-COLD-bond153" atomRefs="KDO2-LIPID-IVA-COLD-atom35 KDO2-LIPID-IVA-COLD-atom42" order="1"/> <bond id="KDO2-LIPID-IVA-COLD-bond154" atomRefs="KDO2-LIPID-IVA-COLD-atom35 KDO2-LIPID-IVA-COLD-atom43" order="1"/> <bond id="KDO2-LIPID-IVA-COLD-bond155" atomRefs="KDO2-LIPID-IVA-COLD-atom43 KDO2-LIPID-IVA-COLD-atom36" order="1"/> <bond id="KDO2-LIPID-IVA-COLD-bond156" atomRefs="KDO2-LIPID-IVA-COLD-atom36 KDO2-LIPID-IVA-COLD-atom46" order="1"/> <bond id="KDO2-LIPID-IVA-COLD-bond157" atomRefs="KDO2-LIPID-IVA-COLD-atom41 KDO2-LIPID-IVA-COLD-atom42" order="1"/> <bond id="KDO2-LIPID-IVA-COLD-bond158" atomRefs="KDO2-LIPID-IVA-COLD-atom41 KDO2-LIPID-IVA-COLD-atom45" order="1"/> <bond id="KDO2-LIPID-IVA-COLD-bond159" atomRefs="KDO2-LIPID-IVA-COLD-atom43 KDO2-LIPID-IVA-COLD-atom44" order="1"/> <bond id="KDO2-LIPID-IVA-COLD-bond160" atomRefs="KDO2-LIPID-IVA-COLD-atom44 KDO2-LIPID-IVA-COLD-atom45" order="1"/> <formula concise="C 114 H 208 N 2 O 39 P 2" formalCharge="0"/> 2292.835 CCCCCCCCCCCC(O)CC(=O)NC1(C(OP(=O)(O)O)OC(C(O)C1OC(=O)CC(O)CCCCCCCCCCC)COC2(C(C(C(OP(O)(O)=O)C(O2)COC3(CC(C(O)C(O3)C(O)CO)OC4(OC(C(O)CO)C(O)C(O)C4)(C(O)=O))(C(O)=O))OC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)NC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCC))
KDO2-(palmitoleoyl-myristoyl)-lipid A
<atom id="CYS-GLY-atom1" elementType="N" x2="2.1957" y2="-2.3293"/> <atom id="CYS-GLY-atom2" elementType="N" x2="0.0484" y2="-1.9409"/> <atom id="CYS-GLY-atom3" elementType="C" x2="2.9116" y2="-1.0798"/> <atom id="CYS-GLY-atom4" elementType="C" x2="2.9116" y2="-1.9409"/> <atom id="CYS-GLY-atom5" elementType="O" x2="1.4922" y2="-1.1402"/> <atom id="CYS-GLY-atom6" elementType="C" x2="0.7399" y2="-3.1299"/> <atom id="CYS-GLY-atom7" elementType="C" x2="0.7399" y2="-2.3293"/> <atom id="CYS-GLY-atom8" elementType="S" x2="0.1212" y2="-3.6395"/> <atom id="CYS-GLY-atom9" elementType="C" x2="1.4922" y2="-1.9409"/> <atom id="CYS-GLY-atom10" elementType="O" x2="2.1837" y2="-0.7523"/> <atom id="CYS-GLY-atom11" elementType="O" x2="3.6274" y2="-0.7399"/> <bond id="CYS-GLY-bond1" atomRefs="CYS-GLY-atom1 CYS-GLY-atom9" order="1"/> <bond id="CYS-GLY-bond2" atomRefs="CYS-GLY-atom2 CYS-GLY-atom7" order="1"/> <bond id="CYS-GLY-bond3" atomRefs="CYS-GLY-atom3 CYS-GLY-atom4" order="1"/> <bond id="CYS-GLY-bond4" atomRefs="CYS-GLY-atom4 CYS-GLY-atom1" order="1"/> <bond id="CYS-GLY-bond5" atomRefs="CYS-GLY-atom5 CYS-GLY-atom9" order="2"/> <bond id="CYS-GLY-bond6" atomRefs="CYS-GLY-atom6 CYS-GLY-atom7" order="1"/> <bond id="CYS-GLY-bond7" atomRefs="CYS-GLY-atom8 CYS-GLY-atom6" order="1"/> <bond id="CYS-GLY-bond8" atomRefs="CYS-GLY-atom9 CYS-GLY-atom7" order="1"/> <bond id="CYS-GLY-bond9" atomRefs="CYS-GLY-atom10 CYS-GLY-atom3" order="2"/> <bond id="CYS-GLY-bond10" atomRefs="CYS-GLY-atom11 CYS-GLY-atom3" order="1"/> <formula concise="C 5 H 10 N 2 O 3 S 1" formalCharge="0"/> 178.206 C(O)(=O)CNC(=O)C(N)CS
<cml> <molecule id="ACYL-SN-GLYCEROL-3P" title="a 2-lysophosphatidate" dictRef="dictACYL-SN-GLYCEROL-3P"> <atomArray> <atom id="ACYL-SN-GLYCEROL-3P-atom1" elementType="O" x2="1.2102" y2="0.0"/> <atom id="ACYL-SN-GLYCEROL-3P-atom2" elementType="O" x2="5.0309" y2="-5.584"/> <atom id="ACYL-SN-GLYCEROL-3P-atom3" elementType="O" x2="6.0509" y2="-1.4002"/> <atom id="ACYL-SN-GLYCEROL-3P-atom4" elementType="O" x2="3.6131" y2="-7.0191"/> <atom id="ACYL-SN-GLYCEROL-3P-atom5" elementType="O" x2="2.2302" y2="-5.584"/> <atom id="ACYL-SN-GLYCEROL-3P-atom6" elementType="R" x2="0.0" y2="-2.0919"/> <atom id="ACYL-SN-GLYCEROL-3P-atom7" elementType="C" x2="3.6304" y2="-1.4002"/> <atom id="ACYL-SN-GLYCEROL-3P-atom8" elementType="C" x2="4.8406" y2="-3.4921"/> <atom id="ACYL-SN-GLYCEROL-3P-atom9" elementType="O" x2="2.4205" y2="-2.0919"/> <atom id="ACYL-SN-GLYCEROL-3P-atom10" elementType="O" x2="3.6304" y2="-4.1838"/> <atom id="ACYL-SN-GLYCEROL-3P-atom11" elementType="C" x2="1.2102" y2="-1.4002"/> <atom id="ACYL-SN-GLYCEROL-3P-atom12" elementType="C" x2="4.8406" y2="-2.0919"/> <atom id="ACYL-SN-GLYCEROL-3P-atom13" elementType="P" x2="3.6304" y2="-5.584"/> </atomArray> <bondArray> <bond id="ACYL-SN-GLYCEROL-3P-bond1" atomRefs="ACYL-SN-GLYCEROL-3P-atom10 ACYL-SN-GLYCEROL-3P-atom13" order="1"/> <bond id="ACYL-SN-GLYCEROL-3P-bond2" atomRefs="ACYL-SN-GLYCEROL-3P-atom9 ACYL-SN-GLYCEROL-3P-atom11" order="1"/> <bond id="ACYL-SN-GLYCEROL-3P-bond3" atomRefs="ACYL-SN-GLYCEROL-3P-atom8 ACYL-SN-GLYCEROL-3P-atom12" order="1"/> <bond id="ACYL-SN-GLYCEROL-3P-bond4" atomRefs="ACYL-SN-GLYCEROL-3P-atom8 ACYL-SN-GLYCEROL-3P-atom10" order="1"/> <bond id="ACYL-SN-GLYCEROL-3P-bond5" atomRefs="ACYL-SN-GLYCEROL-3P-atom7 ACYL-SN-GLYCEROL-3P-atom12" order="1"/> <bond id="ACYL-SN-GLYCEROL-3P-bond6" atomRefs="ACYL-SN-GLYCEROL-3P-atom7 ACYL-SN-GLYCEROL-3P-atom9" order="1"/> <bond id="ACYL-SN-GLYCEROL-3P-bond7" atomRefs="ACYL-SN-GLYCEROL-3P-atom6 ACYL-SN-GLYCEROL-3P-atom11" order="1"/> <bond id="ACYL-SN-GLYCEROL-3P-bond8" atomRefs="ACYL-SN-GLYCEROL-3P-atom5 ACYL-SN-GLYCEROL-3P-atom13" order="1"/> <bond id="ACYL-SN-GLYCEROL-3P-bond9" atomRefs="ACYL-SN-GLYCEROL-3P-atom4 ACYL-SN-GLYCEROL-3P-atom13" order="1"/> <bond id="ACYL-SN-GLYCEROL-3P-bond10" atomRefs="ACYL-SN-GLYCEROL-3P-atom12 ACYL-SN-GLYCEROL-3P-atom3" order="1"/> <bond id="ACYL-SN-GLYCEROL-3P-bond11" atomRefs="ACYL-SN-GLYCEROL-3P-atom2 ACYL-SN-GLYCEROL-3P-atom13" order="2"/> <bond id="ACYL-SN-GLYCEROL-3P-bond12" atomRefs="ACYL-SN-GLYCEROL-3P-atom1 ACYL-SN-GLYCEROL-3P-atom11" order="2"/> </bondArray> <formula concise="C 4 H 8 O 7 R 1 P 1" formalCharge="0"/> </molecule> </cml>
1-acylglycerol-3-phosphate O-acyltransferase
<atom id="HYDROGEN-MOLECULE-atom1" elementType="H" x2="-1.0" y2="-1.0"/> <atom id="HYDROGEN-MOLECULE-atom2" elementType="H" x2="0.99451" y2="-1.0"/> <bond id="HYDROGEN-MOLECULE-bond1" atomRefs="HYDROGEN-MOLECULE-atom2 HYDROGEN-MOLECULE-atom1" order="1"/> <formula concise="H 2" formalCharge="0"/> 2.016 [HH] Hydrogen
Glyceraldehyde-3-phosphate dehydrogenase (ferredoxin)
electron transfer flavoprotein, oxidized
<atom id="BUTYRYL-COA-atom1" elementType="C" x2="0.89109" y2="0.22112"/> <atom id="BUTYRYL-COA-atom2" elementType="O" x2="0.22112" y2="0.21122"/> <atom id="BUTYRYL-COA-atom3" elementType="C" x2="0.82508" y2="0.34653"/> <atom id="BUTYRYL-COA-atom4" elementType="C" x2="0.58416" y2="0.51485"/> <atom id="BUTYRYL-COA-atom5" elementType="N" x2="0.61386" y2="-0.05941"/> <atom id="BUTYRYL-COA-atom6" elementType="O" x2="-0.63696" y2="0.38614"/> <atom id="BUTYRYL-COA-atom7" elementType="O" x2="0.56106" y2="0.81518"/> <atom id="BUTYRYL-COA-atom8" elementType="C" x2="-0.86469" y2="0.05281"/> <atom id="BUTYRYL-COA-atom9" elementType="O" x2="-0.10891" y2="0.21122"/> <atom id="BUTYRYL-COA-atom10" elementType="C" x2="0.9967" y2="-0.22772"/> <atom id="BUTYRYL-COA-atom11" elementType="O" x2="0.93069" y2="0.81518"/> <atom id="BUTYRYL-COA-atom12" elementType="N" x2="0.45875" y2="-0.30363"/> <atom id="BUTYRYL-COA-atom13" elementType="C" x2="-0.60066" y2="-0.13201"/> <atom id="BUTYRYL-COA-atom14" elementType="O" x2="0.71947" y2="0.12871"/> <atom id="BUTYRYL-COA-atom15" elementType="O" x2="0.17162" y2="0.84158"/> <atom id="BUTYRYL-COA-atom16" elementType="C" x2="-1.0" y2="0.57096"/> <atom id="BUTYRYL-COA-atom17" elementType="O" x2="0.22112" y2="-0.15842"/> <atom id="BUTYRYL-COA-atom18" elementType="O" x2="-0.31353" y2="0.0264"/> <atom id="BUTYRYL-COA-atom19" elementType="N" x2="-1.0" y2="0.13201"/> <atom id="BUTYRYL-COA-atom20" elementType="C" x2="-0.47525" y2="0.13201"/> <atom id="BUTYRYL-COA-atom21" elementType="C" x2="0.17162" y2="0.65677"/> <atom id="BUTYRYL-COA-atom22" elementType="C" x2="-0.63696" y2="0.57096"/> <atom id="BUTYRYL-COA-atom23" elementType="H" x2="0.82508" y2="0.23432"/> <atom id="BUTYRYL-COA-atom24" elementType="C" x2="0.59406" y2="-0.38944"/> <atom id="BUTYRYL-COA-atom25" elementType="N" x2="-0.44554" y2="0.68317"/> <atom id="BUTYRYL-COA-atom26" elementType="C" x2="-0.60066" y2="0.05281"/> <atom id="BUTYRYL-COA-atom27" elementType="N" x2="0.89109" y2="-0.06931"/> <atom id="BUTYRYL-COA-atom28" elementType="C" x2="0.44224" y2="0.63366"/> <atom id="BUTYRYL-COA-atom29" elementType="O" x2="0.74587" y2="1.0"/> <atom id="BUTYRYL-COA-atom30" elementType="O" x2="-0.10891" y2="-0.15842"/> <atom id="BUTYRYL-COA-atom31" elementType="P" x2="0.74587" y2="0.81518"/> <atom id="BUTYRYL-COA-atom32" elementType="C" x2="-0.78878" y2="0.68977"/> <atom id="BUTYRYL-COA-atom33" elementType="O" x2="0.0429" y2="0.0264"/> <atom id="BUTYRYL-COA-atom34" elementType="N" x2="0.59406" y2="-0.57426"/> <atom id="BUTYRYL-COA-atom35" elementType="O" x2="-0.72937" y2="0.31683"/> <atom id="BUTYRYL-COA-atom36" elementType="H" x2="0.62376" y2="0.23432"/> <atom id="BUTYRYL-COA-atom37" elementType="C" x2="-0.28053" y2="0.54455"/> <atom id="BUTYRYL-COA-atom38" elementType="C" x2="0.73597" y2="-0.31023"/> <atom id="BUTYRYL-COA-atom39" elementType="H" x2="0.89109" y2="0.33333"/> <atom id="BUTYRYL-COA-atom40" elementType="O" x2="0.82508" y2="0.45875"/> <atom id="BUTYRYL-COA-atom41" elementType="C" x2="-0.60066" y2="0.23762"/> <atom id="BUTYRYL-COA-atom42" elementType="O" x2="0.38944" y2="0.0264"/> <atom id="BUTYRYL-COA-atom43" elementType="O" x2="-0.86469" y2="-0.13201"/> <atom id="BUTYRYL-COA-atom44" elementType="N" x2="0.88119" y2="-0.37294"/> <atom id="BUTYRYL-COA-atom45" elementType="H" x2="0.55776" y2="0.33333"/> <atom id="BUTYRYL-COA-atom46" elementType="P" x2="0.22112" y2="0.0264"/> <atom id="BUTYRYL-COA-atom47" elementType="C" x2="0.73597" y2="-0.15182"/> <atom id="BUTYRYL-COA-atom48" elementType="C" x2="-0.12871" y2="0.67327"/> <atom id="BUTYRYL-COA-atom49" elementType="P" x2="-0.10891" y2="0.0264"/> <atom id="BUTYRYL-COA-atom50" elementType="C" x2="0.45875" y2="-0.14521"/> <atom id="BUTYRYL-COA-atom51" elementType="C" x2="0.30693" y2="0.53135"/> <atom id="BUTYRYL-COA-atom52" elementType="C" x2="-0.72937" y2="0.13201"/> <atom id="BUTYRYL-COA-atom53" elementType="C" x2="0.55776" y2="0.0264"/> <atom id="BUTYRYL-COA-atom54" elementType="C" x2="0.55776" y2="0.22112"/> <atom id="BUTYRYL-COA-atom55" elementType="C" x2="0.62376" y2="0.34653"/> <atom id="BUTYRYL-COA-atom56" elementType="S" x2="0.0264" y2="0.53135"/> <atom id="BUTYRYL-COA-atom57" elementType="O" x2="0.74587" y2="0.61716"/> <bond id="BUTYRYL-COA-bond1" atomRefs="BUTYRYL-COA-atom56 BUTYRYL-COA-atom48" order="1"/> <bond id="BUTYRYL-COA-bond2" atomRefs="BUTYRYL-COA-atom55 BUTYRYL-COA-atom57" order="1"/> <bond id="BUTYRYL-COA-bond3" atomRefs="BUTYRYL-COA-atom55 BUTYRYL-COA-atom3" order="1"/> <bond id="BUTYRYL-COA-bond4" atomRefs="BUTYRYL-COA-atom54 BUTYRYL-COA-atom14" order="1"/> <bond id="BUTYRYL-COA-bond5" atomRefs="BUTYRYL-COA-atom54 BUTYRYL-COA-atom55" order="1"/> <bond id="BUTYRYL-COA-bond6" atomRefs="BUTYRYL-COA-atom53 BUTYRYL-COA-atom54" order="1"/> <bond id="BUTYRYL-COA-bond7" atomRefs="BUTYRYL-COA-atom52 BUTYRYL-COA-atom26" order="1"/> <bond id="BUTYRYL-COA-bond8" atomRefs="BUTYRYL-COA-atom51 BUTYRYL-COA-atom21" order="1"/> <bond id="BUTYRYL-COA-bond9" atomRefs="BUTYRYL-COA-atom50 BUTYRYL-COA-atom5" order="A"/> <bond id="BUTYRYL-COA-bond10" atomRefs="BUTYRYL-COA-atom49 BUTYRYL-COA-atom33" order="1"/> <bond id="BUTYRYL-COA-bond11" atomRefs="BUTYRYL-COA-atom48 BUTYRYL-COA-atom37" order="1"/> <bond id="BUTYRYL-COA-bond12" atomRefs="BUTYRYL-COA-atom27 BUTYRYL-COA-atom47" order="A"/> <bond id="BUTYRYL-COA-bond13" atomRefs="BUTYRYL-COA-atom46 BUTYRYL-COA-atom42" order="1"/> <bond id="BUTYRYL-COA-bond14" atomRefs="BUTYRYL-COA-atom45 BUTYRYL-COA-atom54" order="1"/> <bond id="BUTYRYL-COA-bond15" atomRefs="BUTYRYL-COA-atom44 BUTYRYL-COA-atom10" order="A"/> <bond id="BUTYRYL-COA-bond16" atomRefs="BUTYRYL-COA-atom43 BUTYRYL-COA-atom8" order="2"/> <bond id="BUTYRYL-COA-bond17" atomRefs="BUTYRYL-COA-atom42 BUTYRYL-COA-atom53" order="1"/> <bond id="BUTYRYL-COA-bond18" atomRefs="BUTYRYL-COA-atom41 BUTYRYL-COA-atom26" order="1"/> <bond id="BUTYRYL-COA-bond19" atomRefs="BUTYRYL-COA-atom40 BUTYRYL-COA-atom3" order="1"/> <bond id="BUTYRYL-COA-bond20" atomRefs="BUTYRYL-COA-atom39 BUTYRYL-COA-atom1" order="1"/> <bond id="BUTYRYL-COA-bond21" atomRefs="BUTYRYL-COA-atom47 BUTYRYL-COA-atom38" order="A"/> <bond id="BUTYRYL-COA-bond22" atomRefs="BUTYRYL-COA-atom38 BUTYRYL-COA-atom44" order="A"/> <bond id="BUTYRYL-COA-bond23" atomRefs="BUTYRYL-COA-atom37 BUTYRYL-COA-atom25" order="1"/> <bond id="BUTYRYL-COA-bond24" atomRefs="BUTYRYL-COA-atom36 BUTYRYL-COA-atom55" order="1"/> <bond id="BUTYRYL-COA-bond25" atomRefs="BUTYRYL-COA-atom35 BUTYRYL-COA-atom52" order="1"/> <bond id="BUTYRYL-COA-bond26" atomRefs="BUTYRYL-COA-atom34 BUTYRYL-COA-atom24" order="1"/> <bond id="BUTYRYL-COA-bond27" atomRefs="BUTYRYL-COA-atom33 BUTYRYL-COA-atom46" order="1"/> <bond id="BUTYRYL-COA-bond28" atomRefs="BUTYRYL-COA-atom32 BUTYRYL-COA-atom16" order="1"/> <bond id="BUTYRYL-COA-bond29" atomRefs="BUTYRYL-COA-atom31 BUTYRYL-COA-atom57" order="1"/> <bond id="BUTYRYL-COA-bond30" atomRefs="BUTYRYL-COA-atom30 BUTYRYL-COA-atom49" order="2"/> <bond id="BUTYRYL-COA-bond31" atomRefs="BUTYRYL-COA-atom29 BUTYRYL-COA-atom31" order="1"/> <bond id="BUTYRYL-COA-bond32" atomRefs="BUTYRYL-COA-atom28 BUTYRYL-COA-atom51" order="1"/> <bond id="BUTYRYL-COA-bond33" atomRefs="BUTYRYL-COA-atom26 BUTYRYL-COA-atom20" order="1"/> <bond id="BUTYRYL-COA-bond34" atomRefs="BUTYRYL-COA-atom25 BUTYRYL-COA-atom22" order="1"/> <bond id="BUTYRYL-COA-bond35" atomRefs="BUTYRYL-COA-atom38 BUTYRYL-COA-atom24" order="A"/> <bond id="BUTYRYL-COA-bond36" atomRefs="BUTYRYL-COA-atom23 BUTYRYL-COA-atom3" order="1"/> <bond id="BUTYRYL-COA-bond37" atomRefs="BUTYRYL-COA-atom22 BUTYRYL-COA-atom32" order="1"/> <bond id="BUTYRYL-COA-bond38" atomRefs="BUTYRYL-COA-atom21 BUTYRYL-COA-atom56" order="1"/> <bond id="BUTYRYL-COA-bond39" atomRefs="BUTYRYL-COA-atom20 BUTYRYL-COA-atom18" order="1"/> <bond id="BUTYRYL-COA-bond40" atomRefs="BUTYRYL-COA-atom19 BUTYRYL-COA-atom8" order="1"/> <bond id="BUTYRYL-COA-bond41" atomRefs="BUTYRYL-COA-atom18 BUTYRYL-COA-atom49" order="1"/> <bond id="BUTYRYL-COA-bond42" atomRefs="BUTYRYL-COA-atom17 BUTYRYL-COA-atom46" order="2"/> <bond id="BUTYRYL-COA-bond43" atomRefs="BUTYRYL-COA-atom16 BUTYRYL-COA-atom19" order="1"/> <bond id="BUTYRYL-COA-bond44" atomRefs="BUTYRYL-COA-atom15 BUTYRYL-COA-atom21" order="2"/> <bond id="BUTYRYL-COA-bond45" atomRefs="BUTYRYL-COA-atom14 BUTYRYL-COA-atom1" order="1"/> <bond id="BUTYRYL-COA-bond46" atomRefs="BUTYRYL-COA-atom13 BUTYRYL-COA-atom26" order="1"/> <bond id="BUTYRYL-COA-bond47" atomRefs="BUTYRYL-COA-atom12 BUTYRYL-COA-atom50" order="A"/> <bond id="BUTYRYL-COA-bond48" atomRefs="BUTYRYL-COA-atom24 BUTYRYL-COA-atom12" order="A"/> <bond id="BUTYRYL-COA-bond49" atomRefs="BUTYRYL-COA-atom11 BUTYRYL-COA-atom31" order="1"/> <bond id="BUTYRYL-COA-bond50" atomRefs="BUTYRYL-COA-atom10 BUTYRYL-COA-atom27" order="A"/> <bond id="BUTYRYL-COA-bond51" atomRefs="BUTYRYL-COA-atom9 BUTYRYL-COA-atom49" order="1"/> <bond id="BUTYRYL-COA-bond52" atomRefs="BUTYRYL-COA-atom8 BUTYRYL-COA-atom52" order="1"/> <bond id="BUTYRYL-COA-bond53" atomRefs="BUTYRYL-COA-atom7 BUTYRYL-COA-atom31" order="2"/> <bond id="BUTYRYL-COA-bond54" atomRefs="BUTYRYL-COA-atom6 BUTYRYL-COA-atom22" order="2"/> <bond id="BUTYRYL-COA-bond55" atomRefs="BUTYRYL-COA-atom5 BUTYRYL-COA-atom47" order="A"/> <bond id="BUTYRYL-COA-bond56" atomRefs="BUTYRYL-COA-atom4 BUTYRYL-COA-atom28" order="1"/> <bond id="BUTYRYL-COA-bond57" atomRefs="BUTYRYL-COA-atom2 BUTYRYL-COA-atom46" order="1"/> <bond id="BUTYRYL-COA-bond58" atomRefs="BUTYRYL-COA-atom1 BUTYRYL-COA-atom27" order="1"/> <bond id="BUTYRYL-COA-bond59" atomRefs="BUTYRYL-COA-atom1 BUTYRYL-COA-atom3" order="1"/> <formula concise="C 25 H 42 N 7 O 17 P 3 S 1" formalCharge="0"/> 837.625 [CH]3(n1(c2(c(nc1)c(N)ncn2)))(O[CH]([CH]([CH](O)3)OP(O)(O)=O)COP(O)(=O)OP(O)(=O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)CCC) Coenzyme A, S-butanoate
Electron-transferring flavoproteins (ETF) are classified into two groups. One group includes ETFs from mammals, the methylotrophic bacterium |FRAME: TAX-2327|, and the soil bacterium |FRAME: TAX-266|. These ETFs are heterodimeric, contain one non-covalently bound FAD and one AMP per molecule, and function as electron carriers between other flavoproteins such as acyl-CoA dehydrogenases, |FRAME: CPLX-6421|, ETF-CoQ oxidoreductase, and |FRAME: CPLX-7462|, depending on the source species. The other group includes the ETF from an anaerobic bacterium, |FRAME: TAX-907|. This ETF is also a heterodimer but contains two FAD molecules. The presence of AMP has not been reported. The function of |FRAME: TAX-907|ETF is to transfer electrons between flavoproteins, |FRAME: CPLX-5242| (DLDH) and |FRAME: CPLX-7036| (BCD), and additionally to oxidize NADH |CITS: [14688238]|.
reduced electron transferring flavoprotein
α-ketoglutarate-ferredoxin oxidoreductase
2-oxoglutarate-ferredoxin oxidoreductase
oxidized cytochrome b1
cytochrome b1 oxidized
<atom id="FORMATE-atom1" elementType="C" x2="-0.15" y2="-0.33"/> <atom id="FORMATE-atom2" elementType="O" x2="-0.15" y2="1.26"/> <atom id="FORMATE-atom3" elementType="O" x2="1.14" y2="-1.03"/> <atom id="FORMATE-atom4" elementType="H" x2="-1.4" y2="-1.19"/> <bond id="FORMATE-bond1" atomRefs="FORMATE-atom2 FORMATE-atom1" order="2"/> <bond id="FORMATE-bond2" atomRefs="FORMATE-atom3 FORMATE-atom1" order="1"/> <bond id="FORMATE-bond3" atomRefs="FORMATE-atom4 FORMATE-atom1" order="1"/> <formula concise="C 1 H 2 O 2" formalCharge="0"/> 46.026 [CH](=O)O
reduced cytochrome b1
cytochrome b1 reduced
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a classical dithiol glutaredoxin (reduced)
a classical dithiol glutaredoxin (oxidized)
[Acyl-carrier protein] S-malonyltransferase
Enoyl-[acyl-carrier protein] reductase (NADPH, B-specific)
Initiation of glycogen biosynthesis in mammals is mediated by the enzyme glycogenin (EC 2.4.1.186). This unusual enzyme catalyzes two reactions: first, it transfers one glucose unit from UDPglucose to form an oligosaccharide covalently attached to itself at a tyrosine residue (Tyr194). Next it catalyzes the addition of a second glucose unit, attached by an α-1,4-glucosidic linkage to the first glucose unit, and forming a glycogen primer |CITS:[15238248][12051921]|. This chemical structure depicts the two glucosyl groups attached to the ring of the tyrosine residue.
(1,4-alpha-D-glucosyl)n-glucosyl glucogenin
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atomRefs="ISOVALERYL-COA-atom37 ISOVALERYL-COA-atom16" order="1"/> <bond id="ISOVALERYL-COA-bond26" atomRefs="ISOVALERYL-COA-atom36 ISOVALERYL-COA-atom54" order="1"/> <bond id="ISOVALERYL-COA-bond27" atomRefs="ISOVALERYL-COA-atom35 ISOVALERYL-COA-atom19" order="1"/> <bond id="ISOVALERYL-COA-bond28" atomRefs="ISOVALERYL-COA-atom34 ISOVALERYL-COA-atom24" order="1"/> <bond id="ISOVALERYL-COA-bond29" atomRefs="ISOVALERYL-COA-atom33 ISOVALERYL-COA-atom46" order="1"/> <bond id="ISOVALERYL-COA-bond30" atomRefs="ISOVALERYL-COA-atom32 ISOVALERYL-COA-atom35" order="1"/> <bond id="ISOVALERYL-COA-bond31" atomRefs="ISOVALERYL-COA-atom30 ISOVALERYL-COA-atom49" order="2"/> <bond id="ISOVALERYL-COA-bond32" atomRefs="ISOVALERYL-COA-atom29 ISOVALERYL-COA-atom31" order="1"/> <bond id="ISOVALERYL-COA-bond33" atomRefs="ISOVALERYL-COA-atom28 ISOVALERYL-COA-atom48" order="1"/> <bond id="ISOVALERYL-COA-bond34" atomRefs="ISOVALERYL-COA-atom26 ISOVALERYL-COA-atom20" order="1"/> <bond id="ISOVALERYL-COA-bond35" atomRefs="ISOVALERYL-COA-atom25 ISOVALERYL-COA-atom22" order="1"/> <bond id="ISOVALERYL-COA-bond36" atomRefs="ISOVALERYL-COA-atom38 ISOVALERYL-COA-atom24" order="A"/> <bond id="ISOVALERYL-COA-bond37" atomRefs="ISOVALERYL-COA-atom23 ISOVALERYL-COA-atom1" order="1"/> <bond id="ISOVALERYL-COA-bond38" atomRefs="ISOVALERYL-COA-atom22 ISOVALERYL-COA-atom32" order="1"/> <bond id="ISOVALERYL-COA-bond39" atomRefs="ISOVALERYL-COA-atom21 ISOVALERYL-COA-atom46" order="2"/> <bond id="ISOVALERYL-COA-bond40" atomRefs="ISOVALERYL-COA-atom20 ISOVALERYL-COA-atom17" order="1"/> <bond id="ISOVALERYL-COA-bond41" atomRefs="ISOVALERYL-COA-atom19 ISOVALERYL-COA-atom8" order="1"/> <bond id="ISOVALERYL-COA-bond42" atomRefs="ISOVALERYL-COA-atom18 ISOVALERYL-COA-atom57" order="1"/> <bond id="ISOVALERYL-COA-bond43" atomRefs="ISOVALERYL-COA-atom17 ISOVALERYL-COA-atom49" order="1"/> <bond id="ISOVALERYL-COA-bond44" atomRefs="ISOVALERYL-COA-atom16 ISOVALERYL-COA-atom18" order="1"/> <bond id="ISOVALERYL-COA-bond45" atomRefs="ISOVALERYL-COA-atom15 ISOVALERYL-COA-atom18" order="2"/> <bond id="ISOVALERYL-COA-bond46" atomRefs="ISOVALERYL-COA-atom14 ISOVALERYL-COA-atom1" order="1"/> <bond id="ISOVALERYL-COA-bond47" atomRefs="ISOVALERYL-COA-atom13 ISOVALERYL-COA-atom52" order="1"/> <bond id="ISOVALERYL-COA-bond48" atomRefs="ISOVALERYL-COA-atom12 ISOVALERYL-COA-atom50" order="A"/> <bond id="ISOVALERYL-COA-bond49" atomRefs="ISOVALERYL-COA-atom24 ISOVALERYL-COA-atom12" order="A"/> <bond id="ISOVALERYL-COA-bond50" atomRefs="ISOVALERYL-COA-atom11 ISOVALERYL-COA-atom29" order="2"/> <bond id="ISOVALERYL-COA-bond51" atomRefs="ISOVALERYL-COA-atom10 ISOVALERYL-COA-atom27" order="A"/> <bond id="ISOVALERYL-COA-bond52" atomRefs="ISOVALERYL-COA-atom9 ISOVALERYL-COA-atom49" order="1"/> <bond id="ISOVALERYL-COA-bond53" atomRefs="ISOVALERYL-COA-atom8 ISOVALERYL-COA-atom52" order="1"/> <bond id="ISOVALERYL-COA-bond54" atomRefs="ISOVALERYL-COA-atom7 ISOVALERYL-COA-atom29" order="1"/> <bond id="ISOVALERYL-COA-bond55" atomRefs="ISOVALERYL-COA-atom6 ISOVALERYL-COA-atom22" order="2"/> <bond id="ISOVALERYL-COA-bond56" atomRefs="ISOVALERYL-COA-atom5 ISOVALERYL-COA-atom47" order="A"/> <bond id="ISOVALERYL-COA-bond57" atomRefs="ISOVALERYL-COA-atom4 ISOVALERYL-COA-atom37" order="1"/> <bond id="ISOVALERYL-COA-bond58" atomRefs="ISOVALERYL-COA-atom2 ISOVALERYL-COA-atom46" order="1"/> <bond id="ISOVALERYL-COA-bond59" atomRefs="ISOVALERYL-COA-atom1 ISOVALERYL-COA-atom27" order="1"/> <bond id="ISOVALERYL-COA-bond60" atomRefs="ISOVALERYL-COA-atom1 ISOVALERYL-COA-atom3" order="1"/> <formula concise="C 26 H 44 N 7 O 17 P 3 S 1" formalCharge="0"/> 851.652 [CH]3(n1(c2(c(nc1)c(N)ncn2)))(O[CH]([CH]([CH](O)3)OP(=O)(O)O)COP(O)(=O)OP(O)(=O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)CC(C)C) S-(3-methylbutanoate) coenzyme A
<atom id="2-AMINO-MUCONATE-atom1" elementType="O" x2="-1.0" y2="-0.17274"/> <atom id="2-AMINO-MUCONATE-atom2" elementType="N" x2="0.99683" y2="-0.42631"/> <atom id="2-AMINO-MUCONATE-atom3" elementType="C" x2="0.35024" y2="-0.60063"/> <atom id="2-AMINO-MUCONATE-atom4" elementType="C" x2="-0.49287" y2="0.43582"/> <atom id="2-AMINO-MUCONATE-atom5" elementType="C" x2="0.03645" y2="0.7401"/> <atom id="2-AMINO-MUCONATE-atom6" elementType="C" x2="0.55943" y2="-0.17274"/> <atom id="2-AMINO-MUCONATE-atom7" elementType="O" x2="0.66086" y2="-1.0"/> <atom id="2-AMINO-MUCONATE-atom8" elementType="O" x2="-0.12837" y2="-0.76545"/> <atom id="2-AMINO-MUCONATE-atom9" elementType="C" x2="-0.49287" y2="-0.17274"/> <atom id="2-AMINO-MUCONATE-atom10" elementType="O" x2="-0.59113" y2="-0.67036"/> <atom id="2-AMINO-MUCONATE-atom11" elementType="C" x2="0.55943" y2="0.43582"/> <bond id="2-AMINO-MUCONATE-bond1" atomRefs="2-AMINO-MUCONATE-atom11 2-AMINO-MUCONATE-atom6" order="2"/> <bond id="2-AMINO-MUCONATE-bond2" atomRefs="2-AMINO-MUCONATE-atom10 2-AMINO-MUCONATE-atom9" order="1"/> <bond id="2-AMINO-MUCONATE-bond3" atomRefs="2-AMINO-MUCONATE-atom9 2-AMINO-MUCONATE-atom4" order="1"/> <bond id="2-AMINO-MUCONATE-bond4" atomRefs="2-AMINO-MUCONATE-atom8 2-AMINO-MUCONATE-atom3" order="2"/> <bond id="2-AMINO-MUCONATE-bond5" atomRefs="2-AMINO-MUCONATE-atom7 2-AMINO-MUCONATE-atom3" order="1"/> <bond id="2-AMINO-MUCONATE-bond6" atomRefs="2-AMINO-MUCONATE-atom6 2-AMINO-MUCONATE-atom3" order="1"/> <bond id="2-AMINO-MUCONATE-bond7" atomRefs="2-AMINO-MUCONATE-atom5 2-AMINO-MUCONATE-atom11" order="1"/> <bond id="2-AMINO-MUCONATE-bond8" atomRefs="2-AMINO-MUCONATE-atom4 2-AMINO-MUCONATE-atom5" order="2"/> <bond id="2-AMINO-MUCONATE-bond9" atomRefs="2-AMINO-MUCONATE-atom2 2-AMINO-MUCONATE-atom6" order="1"/> <bond id="2-AMINO-MUCONATE-bond10" atomRefs="2-AMINO-MUCONATE-atom1 2-AMINO-MUCONATE-atom9" order="2"/> <formula concise="C 6 H 7 N 1 O 4" formalCharge="0"/> 157.126 C(O)(=O)C(N)=CC=CC(O)=O
<atom id="NH4OH-atom1" elementType="N" x2="0.04347825" y2="0.3369565" formalCharge="1"/> <atom id="NH4OH-atom2" elementType="H" x2="0.9891305" y2="-0.26086962"/> <atom id="NH4OH-atom3" elementType="H" x2="-1.0" y2="-0.26086962"/> <atom id="NH4OH-atom4" elementType="H" x2="0.04347825" y2="-0.5978261"/> <atom id="NH4OH-atom5" elementType="O" x2="0.04347825" y2="1.0"/> <bond id="NH4OH-bond1" atomRefs="NH4OH-atom5 NH4OH-atom1" order="1"/> <bond id="NH4OH-bond2" atomRefs="NH4OH-atom1 NH4OH-atom2" order="1"/> <bond id="NH4OH-bond3" atomRefs="NH4OH-atom1 NH4OH-atom3" order="1"/> <bond id="NH4OH-bond4" atomRefs="NH4OH-atom1 NH4OH-atom4" order="1"/> <formula concise="H 4 N 1 O 1" formalCharge="0"/> 34.038 [NH3+]O
<atom id="2K-ADIPATE-atom1" elementType="C" x2="0.1505" y2="-0.63545"/> <atom id="2K-ADIPATE-atom2" elementType="C" x2="0.42475" y2="-0.46488"/> <atom id="2K-ADIPATE-atom3" elementType="C" x2="-0.42809" y2="-0.69231"/> <atom id="2K-ADIPATE-atom4" elementType="O" x2="0.99666" y2="-0.41472"/> <atom id="2K-ADIPATE-atom5" elementType="C" x2="-0.73913" y2="-0.5786"/> <atom id="2K-ADIPATE-atom6" elementType="C" x2="-0.15719" y2="-0.52174"/> <atom id="2K-ADIPATE-atom7" elementType="O" x2="-0.7893" y2="-0.27425"/> <atom id="2K-ADIPATE-atom8" elementType="C" x2="0.73579" y2="-0.57525"/> <atom id="2K-ADIPATE-atom9" elementType="O" x2="-0.42809" y2="-1.0"/> <atom id="2K-ADIPATE-atom10" elementType="O" x2="0.77926" y2="-0.8796"/> <atom id="2K-ADIPATE-atom11" elementType="O" x2="-1.0" y2="-0.74247"/> <bond id="2K-ADIPATE-bond1" atomRefs="2K-ADIPATE-atom11 2K-ADIPATE-atom5" order="1"/> <bond id="2K-ADIPATE-bond2" atomRefs="2K-ADIPATE-atom10 2K-ADIPATE-atom8" order="1"/> <bond id="2K-ADIPATE-bond3" atomRefs="2K-ADIPATE-atom8 2K-ADIPATE-atom2" order="1"/> <bond id="2K-ADIPATE-bond4" atomRefs="2K-ADIPATE-atom7 2K-ADIPATE-atom5" order="2"/> <bond id="2K-ADIPATE-bond5" atomRefs="2K-ADIPATE-atom6 2K-ADIPATE-atom3" order="1"/> <bond id="2K-ADIPATE-bond6" atomRefs="2K-ADIPATE-atom4 2K-ADIPATE-atom8" order="2"/> <bond id="2K-ADIPATE-bond7" atomRefs="2K-ADIPATE-atom3 2K-ADIPATE-atom5" order="1"/> <bond id="2K-ADIPATE-bond8" atomRefs="2K-ADIPATE-atom3 2K-ADIPATE-atom9" order="2"/> <bond id="2K-ADIPATE-bond9" atomRefs="2K-ADIPATE-atom2 2K-ADIPATE-atom1" order="1"/> <bond id="2K-ADIPATE-bond10" atomRefs="2K-ADIPATE-atom1 2K-ADIPATE-atom6" order="1"/> <formula concise="C 6 H 8 O 5" formalCharge="0"/> 160.126 C(=O)(O)C(=O)CCCC(O)=O
<atom id="GLUTARYL-COA-atom1" elementType="C" x2="0.74333" y2="-0.30333"/> <atom id="GLUTARYL-COA-atom2" elementType="N" x2="-1.0" y2="-0.22333"/> <atom id="GLUTARYL-COA-atom3" elementType="C" x2="0.68333" y2="-0.42"/> <atom id="GLUTARYL-COA-atom4" elementType="C" x2="0.38" y2="-0.62"/> <atom id="GLUTARYL-COA-atom5" elementType="N" x2="0.48667" y2="-0.04333"/> <atom id="GLUTARYL-COA-atom6" elementType="O" x2="-0.87333" y2="0.01667"/> <atom id="GLUTARYL-COA-atom7" elementType="O" x2="0.83" y2="-0.65"/> <atom id="GLUTARYL-COA-atom8" elementType="C" x2="-0.87333" y2="-0.15"/> <atom id="GLUTARYL-COA-atom9" elementType="O" x2="0.51667" y2="-0.86"/> <atom id="GLUTARYL-COA-atom10" elementType="C" x2="0.84" y2="0.11"/> <atom id="GLUTARYL-COA-atom11" elementType="P" x2="0.83" y2="-0.83333"/> <atom id="GLUTARYL-COA-atom12" elementType="N" x2="0.34667" y2="0.18"/> <atom id="GLUTARYL-COA-atom13" elementType="C" x2="-1.0" y2="-0.63667"/> <atom id="GLUTARYL-COA-atom14" elementType="O" x2="0.58667" y2="-0.22"/> <atom id="GLUTARYL-COA-atom15" elementType="O" x2="-0.69333" y2="-0.46"/> <atom id="GLUTARYL-COA-atom16" elementType="N" x2="-0.56" y2="-0.71"/> <atom id="GLUTARYL-COA-atom17" elementType="O" x2="-0.17667" y2="0.04"/> <atom id="GLUTARYL-COA-atom18" elementType="O" x2="-0.36667" y2="-0.12667"/> <atom id="GLUTARYL-COA-atom19" elementType="O" x2="0.68333" y2="-0.52"/> <atom id="GLUTARYL-COA-atom20" elementType="C" x2="0.51667" y2="-0.69333"/> <atom id="GLUTARYL-COA-atom21" elementType="C" x2="0.01" y2="-0.71667"/> <atom id="GLUTARYL-COA-atom22" elementType="C" x2="-0.69333" y2="-0.62667"/> <atom id="GLUTARYL-COA-atom23" elementType="C" x2="-0.26" y2="-0.71"/> <atom id="GLUTARYL-COA-atom24" elementType="C" x2="0.47333" y2="0.25667"/> <atom id="GLUTARYL-COA-atom25" elementType="O" x2="0.12667" y2="-0.29333"/> <atom id="GLUTARYL-COA-atom26" elementType="C" x2="-0.63" y2="-0.15"/> <atom id="GLUTARYL-COA-atom27" elementType="N" x2="0.74333" y2="-0.03667"/> <atom id="GLUTARYL-COA-atom28" elementType="C" x2="0.13667" y2="-0.62"/> <atom id="GLUTARYL-COA-atom29" elementType="H" x2="0.43667" y2="-0.40333"/> <atom id="GLUTARYL-COA-atom30" elementType="O" x2="0.12667" y2="0.04"/> <atom id="GLUTARYL-COA-atom31" elementType="H" x2="0.68333" y2="-0.32"/> <atom id="GLUTARYL-COA-atom32" elementType="C" x2="-0.51333" y2="-0.22333"/> <atom id="GLUTARYL-COA-atom33" elementType="O" x2="-0.03667" y2="-0.12667"/> <atom id="GLUTARYL-COA-atom34" elementType="O" x2="-0.17667" y2="-0.29333"/> <atom id="GLUTARYL-COA-atom35" elementType="O" x2="0.66333" y2="-0.83333"/> <atom id="GLUTARYL-COA-atom36" elementType="S" x2="-0.13333" y2="-0.61333"/> <atom id="GLUTARYL-COA-atom37" elementType="C" x2="-0.40333" y2="-0.62"/> <atom id="GLUTARYL-COA-atom38" elementType="C" x2="-0.63" y2="-0.31667"/> <atom id="GLUTARYL-COA-atom39" elementType="C" x2="0.60333" y2="0.18333"/> <atom id="GLUTARYL-COA-atom40" elementType="C" x2="0.25667" y2="-0.70667"/> <atom id="GLUTARYL-COA-atom41" elementType="O" x2="0.01" y2="-0.88333"/> <atom id="GLUTARYL-COA-atom42" elementType="O" x2="0.65" y2="-0.59667"/> <atom id="GLUTARYL-COA-atom43" elementType="O" x2="0.28333" y2="-0.12667"/> <atom id="GLUTARYL-COA-atom44" elementType="C" x2="-0.87667" y2="-0.71667"/> <atom id="GLUTARYL-COA-atom45" elementType="N" x2="0.73667" y2="0.24333"/> <atom id="GLUTARYL-COA-atom46" elementType="H" x2="0.74333" y2="-0.40333"/> <atom id="GLUTARYL-COA-atom47" elementType="P" x2="0.12667" y2="-0.12667"/> <atom id="GLUTARYL-COA-atom48" elementType="C" x2="0.60333" y2="0.04"/> <atom id="GLUTARYL-COA-atom49" elementType="C" x2="-0.63" y2="0.01667"/> <atom id="GLUTARYL-COA-atom50" elementType="P" x2="-0.17667" y2="-0.12667"/> <atom id="GLUTARYL-COA-atom51" elementType="C" x2="0.34667" y2="0.03333"/> <atom id="GLUTARYL-COA-atom52" elementType="O" x2="0.99667" y2="-0.83333"/> <atom id="GLUTARYL-COA-atom53" elementType="O" x2="-0.80333" y2="-0.37"/> <atom id="GLUTARYL-COA-atom54" elementType="C" x2="-0.80333" y2="-0.20333"/> <atom id="GLUTARYL-COA-atom55" elementType="C" x2="0.43667" y2="-0.12667"/> <atom id="GLUTARYL-COA-atom56" elementType="C" x2="0.43667" y2="-0.30333"/> <atom id="GLUTARYL-COA-atom57" elementType="O" x2="0.83" y2="-1.0"/> <atom id="GLUTARYL-COA-atom58" elementType="C" x2="0.5" y2="-0.42"/> <atom id="GLUTARYL-COA-atom59" elementType="N" x2="0.47333" y2="0.42333"/> <atom id="GLUTARYL-COA-atom60" elementType="H" x2="0.5" y2="-0.32"/> <bond id="GLUTARYL-COA-bond1" atomRefs="GLUTARYL-COA-atom60 GLUTARYL-COA-atom58" order="1"/> <bond id="GLUTARYL-COA-bond2" atomRefs="GLUTARYL-COA-atom59 GLUTARYL-COA-atom24" order="1"/> <bond id="GLUTARYL-COA-bond3" atomRefs="GLUTARYL-COA-atom58 GLUTARYL-COA-atom7" order="1"/> <bond id="GLUTARYL-COA-bond4" atomRefs="GLUTARYL-COA-atom58 GLUTARYL-COA-atom3" order="1"/> <bond id="GLUTARYL-COA-bond5" atomRefs="GLUTARYL-COA-atom57 GLUTARYL-COA-atom11" order="1"/> <bond id="GLUTARYL-COA-bond6" atomRefs="GLUTARYL-COA-atom56 GLUTARYL-COA-atom14" order="1"/> <bond id="GLUTARYL-COA-bond7" atomRefs="GLUTARYL-COA-atom56 GLUTARYL-COA-atom58" order="1"/> <bond id="GLUTARYL-COA-bond8" atomRefs="GLUTARYL-COA-atom55 GLUTARYL-COA-atom56" order="1"/> <bond id="GLUTARYL-COA-bond9" atomRefs="GLUTARYL-COA-atom54 GLUTARYL-COA-atom26" order="1"/> <bond id="GLUTARYL-COA-bond10" atomRefs="GLUTARYL-COA-atom53 GLUTARYL-COA-atom54" order="1"/> <bond id="GLUTARYL-COA-bond11" atomRefs="GLUTARYL-COA-atom52 GLUTARYL-COA-atom11" order="1"/> <bond id="GLUTARYL-COA-bond12" atomRefs="GLUTARYL-COA-atom51 GLUTARYL-COA-atom5" order="A"/> <bond id="GLUTARYL-COA-bond13" atomRefs="GLUTARYL-COA-atom50 GLUTARYL-COA-atom33" order="1"/> <bond id="GLUTARYL-COA-bond14" atomRefs="GLUTARYL-COA-atom49 GLUTARYL-COA-atom26" order="1"/> <bond id="GLUTARYL-COA-bond15" atomRefs="GLUTARYL-COA-atom27 GLUTARYL-COA-atom48" order="A"/> <bond id="GLUTARYL-COA-bond16" atomRefs="GLUTARYL-COA-atom47 GLUTARYL-COA-atom43" order="1"/> <bond id="GLUTARYL-COA-bond17" atomRefs="GLUTARYL-COA-atom46 GLUTARYL-COA-atom1" order="1"/> <bond id="GLUTARYL-COA-bond18" atomRefs="GLUTARYL-COA-atom45 GLUTARYL-COA-atom10" order="A"/> <bond id="GLUTARYL-COA-bond19" atomRefs="GLUTARYL-COA-atom39 GLUTARYL-COA-atom45" order="A"/> <bond id="GLUTARYL-COA-bond20" atomRefs="GLUTARYL-COA-atom44 GLUTARYL-COA-atom13" order="1"/> <bond id="GLUTARYL-COA-bond21" atomRefs="GLUTARYL-COA-atom43 GLUTARYL-COA-atom55" order="1"/> <bond id="GLUTARYL-COA-bond22" atomRefs="GLUTARYL-COA-atom42 GLUTARYL-COA-atom20" order="1"/> <bond id="GLUTARYL-COA-bond23" atomRefs="GLUTARYL-COA-atom41 GLUTARYL-COA-atom21" order="2"/> <bond id="GLUTARYL-COA-bond24" atomRefs="GLUTARYL-COA-atom40 GLUTARYL-COA-atom28" order="1"/> <bond id="GLUTARYL-COA-bond25" atomRefs="GLUTARYL-COA-atom48 GLUTARYL-COA-atom39" order="A"/> <bond id="GLUTARYL-COA-bond26" atomRefs="GLUTARYL-COA-atom38 GLUTARYL-COA-atom26" order="1"/> <bond id="GLUTARYL-COA-bond27" atomRefs="GLUTARYL-COA-atom37 GLUTARYL-COA-atom16" order="1"/> <bond id="GLUTARYL-COA-bond28" atomRefs="GLUTARYL-COA-atom36 GLUTARYL-COA-atom23" order="1"/> <bond id="GLUTARYL-COA-bond29" atomRefs="GLUTARYL-COA-atom35 GLUTARYL-COA-atom11" order="2"/> <bond id="GLUTARYL-COA-bond30" atomRefs="GLUTARYL-COA-atom34 GLUTARYL-COA-atom50" order="1"/> <bond id="GLUTARYL-COA-bond31" atomRefs="GLUTARYL-COA-atom33 GLUTARYL-COA-atom47" order="1"/> <bond id="GLUTARYL-COA-bond32" atomRefs="GLUTARYL-COA-atom32 GLUTARYL-COA-atom18" order="1"/> <bond id="GLUTARYL-COA-bond33" atomRefs="GLUTARYL-COA-atom31 GLUTARYL-COA-atom3" order="1"/> <bond id="GLUTARYL-COA-bond34" atomRefs="GLUTARYL-COA-atom30 GLUTARYL-COA-atom47" order="2"/> <bond id="GLUTARYL-COA-bond35" atomRefs="GLUTARYL-COA-atom29 GLUTARYL-COA-atom56" order="1"/> <bond id="GLUTARYL-COA-bond36" atomRefs="GLUTARYL-COA-atom28 GLUTARYL-COA-atom21" order="1"/> <bond id="GLUTARYL-COA-bond37" atomRefs="GLUTARYL-COA-atom26 GLUTARYL-COA-atom32" order="1"/> <bond id="GLUTARYL-COA-bond38" atomRefs="GLUTARYL-COA-atom25 GLUTARYL-COA-atom47" order="1"/> <bond id="GLUTARYL-COA-bond39" atomRefs="GLUTARYL-COA-atom39 GLUTARYL-COA-atom24" order="A"/> <bond id="GLUTARYL-COA-bond40" atomRefs="GLUTARYL-COA-atom24 GLUTARYL-COA-atom12" order="A"/> <bond id="GLUTARYL-COA-bond41" atomRefs="GLUTARYL-COA-atom23 GLUTARYL-COA-atom37" order="1"/> <bond id="GLUTARYL-COA-bond42" atomRefs="GLUTARYL-COA-atom22 GLUTARYL-COA-atom44" order="1"/> <bond id="GLUTARYL-COA-bond43" atomRefs="GLUTARYL-COA-atom21 GLUTARYL-COA-atom36" order="1"/> <bond id="GLUTARYL-COA-bond44" atomRefs="GLUTARYL-COA-atom20 GLUTARYL-COA-atom4" order="1"/> <bond id="GLUTARYL-COA-bond45" atomRefs="GLUTARYL-COA-atom19 GLUTARYL-COA-atom3" order="1"/> <bond id="GLUTARYL-COA-bond46" atomRefs="GLUTARYL-COA-atom18 GLUTARYL-COA-atom50" order="1"/> <bond id="GLUTARYL-COA-bond47" atomRefs="GLUTARYL-COA-atom17 GLUTARYL-COA-atom50" order="2"/> <bond id="GLUTARYL-COA-bond48" atomRefs="GLUTARYL-COA-atom16 GLUTARYL-COA-atom22" order="1"/> <bond id="GLUTARYL-COA-bond49" atomRefs="GLUTARYL-COA-atom15 GLUTARYL-COA-atom22" order="2"/> <bond id="GLUTARYL-COA-bond50" atomRefs="GLUTARYL-COA-atom14 GLUTARYL-COA-atom1" order="1"/> <bond id="GLUTARYL-COA-bond51" atomRefs="GLUTARYL-COA-atom13 GLUTARYL-COA-atom2" order="1"/> <bond id="GLUTARYL-COA-bond52" atomRefs="GLUTARYL-COA-atom12 GLUTARYL-COA-atom51" order="A"/> <bond id="GLUTARYL-COA-bond53" atomRefs="GLUTARYL-COA-atom11 GLUTARYL-COA-atom7" order="1"/> <bond id="GLUTARYL-COA-bond54" atomRefs="GLUTARYL-COA-atom10 GLUTARYL-COA-atom27" order="A"/> <bond id="GLUTARYL-COA-bond55" atomRefs="GLUTARYL-COA-atom9 GLUTARYL-COA-atom20" order="2"/> <bond id="GLUTARYL-COA-bond56" atomRefs="GLUTARYL-COA-atom8 GLUTARYL-COA-atom54" order="1"/> <bond id="GLUTARYL-COA-bond57" atomRefs="GLUTARYL-COA-atom6 GLUTARYL-COA-atom8" order="2"/> <bond id="GLUTARYL-COA-bond58" atomRefs="GLUTARYL-COA-atom5 GLUTARYL-COA-atom48" order="A"/> <bond id="GLUTARYL-COA-bond59" atomRefs="GLUTARYL-COA-atom4 GLUTARYL-COA-atom40" order="1"/> <bond id="GLUTARYL-COA-bond60" atomRefs="GLUTARYL-COA-atom2 GLUTARYL-COA-atom8" order="1"/> <bond id="GLUTARYL-COA-bond61" atomRefs="GLUTARYL-COA-atom1 GLUTARYL-COA-atom27" order="1"/> <bond id="GLUTARYL-COA-bond62" atomRefs="GLUTARYL-COA-atom1 GLUTARYL-COA-atom3" order="1"/> <formula concise="C 26 H 42 N 7 O 19 P 3 S 1" formalCharge="0"/> 881.635 [CH]3(n1(c2(c(nc1)c(N)ncn2)))(O[CH]([CH]([CH](O)3)OP(O)(O)=O)COP(O)(=O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)CCCC(O)=O)
<atom id="2-KETO-3-METHYL-VALERATE-atom1" elementType="C" x2="0.15" y2="1.7917"/> <atom id="2-KETO-3-METHYL-VALERATE-atom2" elementType="C" x2="0.7995" y2="1.4167"/> <atom id="2-KETO-3-METHYL-VALERATE-atom3" elementType="C" x2="1.449" y2="1.7917"/> <atom id="2-KETO-3-METHYL-VALERATE-atom4" elementType="C" x2="2.0986" y2="1.4167"/> <atom id="2-KETO-3-METHYL-VALERATE-atom5" elementType="C" x2="2.7481" y2="1.7917"/> <atom id="2-KETO-3-METHYL-VALERATE-atom6" elementType="O" x2="2.7481" y2="2.5417"/> <atom id="2-KETO-3-METHYL-VALERATE-atom7" elementType="O" x2="3.3976" y2="1.4167"/> <atom id="2-KETO-3-METHYL-VALERATE-atom8" elementType="O" x2="2.0986" y2="0.6667"/> <atom id="2-KETO-3-METHYL-VALERATE-atom9" elementType="C" x2="1.449" y2="2.5417"/> <bond id="2-KETO-3-METHYL-VALERATE-bond1" atomRefs="2-KETO-3-METHYL-VALERATE-atom3 2-KETO-3-METHYL-VALERATE-atom9" order="1"/> <bond id="2-KETO-3-METHYL-VALERATE-bond2" atomRefs="2-KETO-3-METHYL-VALERATE-atom4 2-KETO-3-METHYL-VALERATE-atom8" order="2"/> <bond id="2-KETO-3-METHYL-VALERATE-bond3" atomRefs="2-KETO-3-METHYL-VALERATE-atom5 2-KETO-3-METHYL-VALERATE-atom7" order="2"/> <bond id="2-KETO-3-METHYL-VALERATE-bond4" atomRefs="2-KETO-3-METHYL-VALERATE-atom5 2-KETO-3-METHYL-VALERATE-atom6" order="1"/> <bond id="2-KETO-3-METHYL-VALERATE-bond5" atomRefs="2-KETO-3-METHYL-VALERATE-atom4 2-KETO-3-METHYL-VALERATE-atom5" order="1"/> <bond id="2-KETO-3-METHYL-VALERATE-bond6" atomRefs="2-KETO-3-METHYL-VALERATE-atom3 2-KETO-3-METHYL-VALERATE-atom4" order="1"/> <bond id="2-KETO-3-METHYL-VALERATE-bond7" atomRefs="2-KETO-3-METHYL-VALERATE-atom2 2-KETO-3-METHYL-VALERATE-atom3" order="1"/> <bond id="2-KETO-3-METHYL-VALERATE-bond8" atomRefs="2-KETO-3-METHYL-VALERATE-atom1 2-KETO-3-METHYL-VALERATE-atom2" order="1"/> <formula concise="C 6 H 10 O 3" formalCharge="0"/> 130.143 CCC(C)C(=O)C(=O)O
<atom id="NITRITE-atom1" elementType="N" x2="-0.27360004" y2="0.08799994"/> <atom id="NITRITE-atom2" elementType="O" x2="-0.6896" y2="-1.0" formalCharge="-1"/> <atom id="NITRITE-atom3" elementType="O" x2="-1.0" y2="0.99679995"/> <bond id="NITRITE-bond1" atomRefs="NITRITE-atom3 NITRITE-atom1" order="2"/> <bond id="NITRITE-bond2" atomRefs="NITRITE-atom2 NITRITE-atom1" order="1"/> <formula concise="N 1 O 2" formalCharge="-1"/> 46.005 N(=O)[O-]
<atom id="HYDROQUINONE-atom1" elementType="O" x2="-0.52533" y2="-1.0"/> <atom id="HYDROQUINONE-atom2" elementType="O" x2="-0.368" y2="0.99733"/> <atom id="HYDROQUINONE-atom3" elementType="C" x2="-0.95467" y2="0.32"/> <atom id="HYDROQUINONE-atom4" elementType="C" x2="0.064" y2="-0.36267"/> <atom id="HYDROQUINONE-atom5" elementType="C" x2="-1.0" y2="-0.29067"/> <atom id="HYDROQUINONE-atom6" elementType="C" x2="-0.40533" y2="0.592"/> <atom id="HYDROQUINONE-atom7" elementType="C" x2="0.10667" y2="0.24533"/> <atom id="HYDROQUINONE-atom8" elementType="C" x2="-0.48533" y2="-0.63467"/> <bond id="HYDROQUINONE-bond1" atomRefs="HYDROQUINONE-atom8 HYDROQUINONE-atom5" order="A"/> <bond id="HYDROQUINONE-bond2" atomRefs="HYDROQUINONE-atom8 HYDROQUINONE-atom1" order="1"/> <bond id="HYDROQUINONE-bond3" atomRefs="HYDROQUINONE-atom6 HYDROQUINONE-atom7" order="A"/> <bond id="HYDROQUINONE-bond4" atomRefs="HYDROQUINONE-atom3 HYDROQUINONE-atom6" order="A"/> <bond id="HYDROQUINONE-bond5" atomRefs="HYDROQUINONE-atom6 HYDROQUINONE-atom2" order="1"/> <bond id="HYDROQUINONE-bond6" atomRefs="HYDROQUINONE-atom4 HYDROQUINONE-atom8" order="A"/> <bond id="HYDROQUINONE-bond7" atomRefs="HYDROQUINONE-atom7 HYDROQUINONE-atom4" order="A"/> <bond id="HYDROQUINONE-bond8" atomRefs="HYDROQUINONE-atom5 HYDROQUINONE-atom3" order="A"/> <formula concise="C 6 H 6 O 2" formalCharge="0"/> 110.112 c1(c(O)ccc(c1)O)
<atom id="14-DICHLOROBENZENE-DIHYDRODIOL-atom1" elementType="CL" x2="-0.5674157" y2="-1.0"/> <atom id="14-DICHLOROBENZENE-DIHYDRODIOL-atom2" elementType="O" x2="0.29213488" y2="-0.5168539"/> <atom id="14-DICHLOROBENZENE-DIHYDRODIOL-atom3" elementType="O" x2="0.26966298" y2="0.48876405"/> <atom id="14-DICHLOROBENZENE-DIHYDRODIOL-atom4" elementType="CL" x2="-0.5674157" y2="0.994382"/> <atom id="14-DICHLOROBENZENE-DIHYDRODIOL-atom5" elementType="C" x2="-0.5674157" y2="0.49438202"/> <atom id="14-DICHLOROBENZENE-DIHYDRODIOL-atom6" elementType="C" x2="-1.0" y2="0.2415731"/> <atom id="14-DICHLOROBENZENE-DIHYDRODIOL-atom7" elementType="C" x2="-0.13483143" y2="0.2415731"/> <atom id="14-DICHLOROBENZENE-DIHYDRODIOL-atom8" elementType="C" x2="-1.0" y2="-0.24719101"/> <atom id="14-DICHLOROBENZENE-DIHYDRODIOL-atom9" elementType="C" x2="-0.13483143" y2="-0.24719101"/> <atom id="14-DICHLOROBENZENE-DIHYDRODIOL-atom10" elementType="C" x2="-0.5674157" y2="-0.5"/> <bond id="14-DICHLOROBENZENE-DIHYDRODIOL-bond1" atomRefs="14-DICHLOROBENZENE-DIHYDRODIOL-atom10 14-DICHLOROBENZENE-DIHYDRODIOL-atom1" order="1"/> <bond id="14-DICHLOROBENZENE-DIHYDRODIOL-bond2" atomRefs="14-DICHLOROBENZENE-DIHYDRODIOL-atom9 14-DICHLOROBENZENE-DIHYDRODIOL-atom10" order="1"/> <bond id="14-DICHLOROBENZENE-DIHYDRODIOL-bond3" atomRefs="14-DICHLOROBENZENE-DIHYDRODIOL-atom9 14-DICHLOROBENZENE-DIHYDRODIOL-atom2" order="1"/> <bond id="14-DICHLOROBENZENE-DIHYDRODIOL-bond4" atomRefs="14-DICHLOROBENZENE-DIHYDRODIOL-atom8 14-DICHLOROBENZENE-DIHYDRODIOL-atom10" order="2"/> <bond id="14-DICHLOROBENZENE-DIHYDRODIOL-bond5" atomRefs="14-DICHLOROBENZENE-DIHYDRODIOL-atom7 14-DICHLOROBENZENE-DIHYDRODIOL-atom9" order="1"/> <bond id="14-DICHLOROBENZENE-DIHYDRODIOL-bond6" atomRefs="14-DICHLOROBENZENE-DIHYDRODIOL-atom7 14-DICHLOROBENZENE-DIHYDRODIOL-atom3" order="1"/> <bond id="14-DICHLOROBENZENE-DIHYDRODIOL-bond7" atomRefs="14-DICHLOROBENZENE-DIHYDRODIOL-atom6 14-DICHLOROBENZENE-DIHYDRODIOL-atom8" order="1"/> <bond id="14-DICHLOROBENZENE-DIHYDRODIOL-bond8" atomRefs="14-DICHLOROBENZENE-DIHYDRODIOL-atom5 14-DICHLOROBENZENE-DIHYDRODIOL-atom6" order="2"/> <bond id="14-DICHLOROBENZENE-DIHYDRODIOL-bond9" atomRefs="14-DICHLOROBENZENE-DIHYDRODIOL-atom5 14-DICHLOROBENZENE-DIHYDRODIOL-atom7" order="1"/> <bond id="14-DICHLOROBENZENE-DIHYDRODIOL-bond10" atomRefs="14-DICHLOROBENZENE-DIHYDRODIOL-atom4 14-DICHLOROBENZENE-DIHYDRODIOL-atom5" order="1"/> <formula concise="C 6 H 6 O 2 CL 2" formalCharge="0"/> 181.018 C1(Cl)(C(O)C(O)C(Cl)=CC=1)
<atom id="36-DICHLOROCATECHOL-atom1" elementType="C" x2="-0.5674157" y2="-0.5"/> <atom id="36-DICHLOROCATECHOL-atom2" elementType="CL" x2="-0.5674157" y2="-1.0"/> <atom id="36-DICHLOROCATECHOL-atom3" elementType="O" x2="0.29213488" y2="-0.5168539"/> <atom id="36-DICHLOROCATECHOL-atom4" elementType="O" x2="0.26966298" y2="0.48876405"/> <atom id="36-DICHLOROCATECHOL-atom5" elementType="CL" x2="-0.5674157" y2="0.994382"/> <atom id="36-DICHLOROCATECHOL-atom6" elementType="C" x2="-0.5674157" y2="0.49438202"/> <atom id="36-DICHLOROCATECHOL-atom7" elementType="C" x2="-1.0" y2="0.2415731"/> <atom id="36-DICHLOROCATECHOL-atom8" elementType="C" x2="-0.13483143" y2="0.2415731"/> <atom id="36-DICHLOROCATECHOL-atom9" elementType="C" x2="-1.0" y2="-0.24719101"/> <atom id="36-DICHLOROCATECHOL-atom10" elementType="C" x2="-0.13483143" y2="-0.24719101"/> <bond id="36-DICHLOROCATECHOL-bond1" atomRefs="36-DICHLOROCATECHOL-atom10 36-DICHLOROCATECHOL-atom3" order="1"/> <bond id="36-DICHLOROCATECHOL-bond2" atomRefs="36-DICHLOROCATECHOL-atom10 36-DICHLOROCATECHOL-atom1" order="1"/> <bond id="36-DICHLOROCATECHOL-bond3" atomRefs="36-DICHLOROCATECHOL-atom9 36-DICHLOROCATECHOL-atom1" order="2"/> <bond id="36-DICHLOROCATECHOL-bond4" atomRefs="36-DICHLOROCATECHOL-atom8 36-DICHLOROCATECHOL-atom4" order="1"/> <bond id="36-DICHLOROCATECHOL-bond5" atomRefs="36-DICHLOROCATECHOL-atom8 36-DICHLOROCATECHOL-atom10" order="2"/> <bond id="36-DICHLOROCATECHOL-bond6" atomRefs="36-DICHLOROCATECHOL-atom7 36-DICHLOROCATECHOL-atom9" order="1"/> <bond id="36-DICHLOROCATECHOL-bond7" atomRefs="36-DICHLOROCATECHOL-atom6 36-DICHLOROCATECHOL-atom8" order="1"/> <bond id="36-DICHLOROCATECHOL-bond8" atomRefs="36-DICHLOROCATECHOL-atom6 36-DICHLOROCATECHOL-atom7" order="2"/> <bond id="36-DICHLOROCATECHOL-bond9" atomRefs="36-DICHLOROCATECHOL-atom5 36-DICHLOROCATECHOL-atom6" order="1"/> <bond id="36-DICHLOROCATECHOL-bond10" atomRefs="36-DICHLOROCATECHOL-atom1 36-DICHLOROCATECHOL-atom2" order="1"/> <formula concise="C 6 H 4 O 2 CL 2" formalCharge="0"/> 179.002 C1(Cl)(C(O)=C(O)C(Cl)=CC=1)
<atom id="25-DICHLORO-CISCIS-MUCONATE-atom1" elementType="C" x2="-1.0" y2="0.2415731"/> <atom id="25-DICHLORO-CISCIS-MUCONATE-atom2" elementType="C" x2="-1.0" y2="-0.24719101"/> <atom id="25-DICHLORO-CISCIS-MUCONATE-atom3" elementType="C" x2="-0.13483143" y2="-0.24719101"/> <atom id="25-DICHLORO-CISCIS-MUCONATE-atom4" elementType="O" x2="0.005617976" y2="-0.6629213"/> <atom id="25-DICHLORO-CISCIS-MUCONATE-atom5" elementType="O" x2="0.050561786" y2="0.6460674"/> <atom id="25-DICHLORO-CISCIS-MUCONATE-atom6" elementType="C" x2="-0.5674157" y2="-0.5"/> <atom id="25-DICHLORO-CISCIS-MUCONATE-atom7" elementType="CL" x2="-0.5674157" y2="-1.0"/> <atom id="25-DICHLORO-CISCIS-MUCONATE-atom8" elementType="O" x2="0.25842702" y2="-0.33146065"/> <atom id="25-DICHLORO-CISCIS-MUCONATE-atom9" elementType="O" x2="0.28089893" y2="0.34269667"/> <atom id="25-DICHLORO-CISCIS-MUCONATE-atom10" elementType="CL" x2="-0.5674157" y2="0.994382"/> <atom id="25-DICHLORO-CISCIS-MUCONATE-atom11" elementType="C" x2="-0.5674157" y2="0.49438202"/> <atom id="25-DICHLORO-CISCIS-MUCONATE-atom12" elementType="C" x2="-0.13483143" y2="0.2415731"/> <bond id="25-DICHLORO-CISCIS-MUCONATE-bond1" atomRefs="25-DICHLORO-CISCIS-MUCONATE-atom12 25-DICHLORO-CISCIS-MUCONATE-atom9" order="2"/> <bond id="25-DICHLORO-CISCIS-MUCONATE-bond2" atomRefs="25-DICHLORO-CISCIS-MUCONATE-atom12 25-DICHLORO-CISCIS-MUCONATE-atom5" order="1"/> <bond id="25-DICHLORO-CISCIS-MUCONATE-bond3" atomRefs="25-DICHLORO-CISCIS-MUCONATE-atom11 25-DICHLORO-CISCIS-MUCONATE-atom12" order="1"/> <bond id="25-DICHLORO-CISCIS-MUCONATE-bond4" atomRefs="25-DICHLORO-CISCIS-MUCONATE-atom11 25-DICHLORO-CISCIS-MUCONATE-atom1" order="2"/> <bond id="25-DICHLORO-CISCIS-MUCONATE-bond5" atomRefs="25-DICHLORO-CISCIS-MUCONATE-atom10 25-DICHLORO-CISCIS-MUCONATE-atom11" order="1"/> <bond id="25-DICHLORO-CISCIS-MUCONATE-bond6" atomRefs="25-DICHLORO-CISCIS-MUCONATE-atom6 25-DICHLORO-CISCIS-MUCONATE-atom7" order="1"/> <bond id="25-DICHLORO-CISCIS-MUCONATE-bond7" atomRefs="25-DICHLORO-CISCIS-MUCONATE-atom3 25-DICHLORO-CISCIS-MUCONATE-atom8" order="2"/> <bond id="25-DICHLORO-CISCIS-MUCONATE-bond8" atomRefs="25-DICHLORO-CISCIS-MUCONATE-atom3 25-DICHLORO-CISCIS-MUCONATE-atom6" order="1"/> <bond id="25-DICHLORO-CISCIS-MUCONATE-bond9" atomRefs="25-DICHLORO-CISCIS-MUCONATE-atom3 25-DICHLORO-CISCIS-MUCONATE-atom4" order="1"/> <bond id="25-DICHLORO-CISCIS-MUCONATE-bond10" atomRefs="25-DICHLORO-CISCIS-MUCONATE-atom2 25-DICHLORO-CISCIS-MUCONATE-atom6" order="2"/> <bond id="25-DICHLORO-CISCIS-MUCONATE-bond11" atomRefs="25-DICHLORO-CISCIS-MUCONATE-atom1 25-DICHLORO-CISCIS-MUCONATE-atom2" order="1"/> <formula concise="C 6 H 4 O 4 CL 2" formalCharge="0"/> 211.001 C(O)(=O)C(Cl)=CC=C(Cl)C(=O)O
2,5-dichloro-cis,cis-muconic acid
<atom id="MALEYLACETATE-atom1" elementType="O" x2="8.8551" y2="-1.6969"/> <atom id="MALEYLACETATE-atom2" elementType="O" x2="1.2225" y2="0.0"/> <atom id="MALEYLACETATE-atom3" elementType="O" x2="3.7712" y2="-0.1127"/> <atom id="MALEYLACETATE-atom4" elementType="O" x2="7.5997" y2="-3.6498"/> <atom id="MALEYLACETATE-atom5" elementType="O" x2="0.0" y2="-1.9574"/> <atom id="MALEYLACETATE-atom6" elementType="C" x2="6.3394" y2="-1.5884"/> <atom id="MALEYLACETATE-atom7" elementType="C" x2="5.0559" y2="-2.155"/> <atom id="MALEYLACETATE-atom8" elementType="C" x2="2.5266" y2="-2.0671"/> <atom id="MALEYLACETATE-atom9" elementType="C" x2="7.6041" y2="-2.2681"/> <atom id="MALEYLACETATE-atom10" elementType="C" x2="1.2511" y2="-1.3863"/> <atom id="MALEYLACETATE-atom11" elementType="C" x2="3.7773" y2="-1.4959"/> <bond id="MALEYLACETATE-bond1" atomRefs="MALEYLACETATE-atom8 MALEYLACETATE-atom11" order="1"/> <bond id="MALEYLACETATE-bond2" atomRefs="MALEYLACETATE-atom8 MALEYLACETATE-atom10" order="1"/> <bond id="MALEYLACETATE-bond3" atomRefs="MALEYLACETATE-atom7 MALEYLACETATE-atom11" order="1"/> <bond id="MALEYLACETATE-bond4" atomRefs="MALEYLACETATE-atom6 MALEYLACETATE-atom9" order="1"/> <bond id="MALEYLACETATE-bond5" atomRefs="MALEYLACETATE-atom6 MALEYLACETATE-atom7" order="2"/> <bond id="MALEYLACETATE-bond6" atomRefs="MALEYLACETATE-atom5 MALEYLACETATE-atom10" order="1"/> <bond id="MALEYLACETATE-bond7" atomRefs="MALEYLACETATE-atom4 MALEYLACETATE-atom9" order="1"/> <bond id="MALEYLACETATE-bond8" atomRefs="MALEYLACETATE-atom3 MALEYLACETATE-atom11" order="2"/> <bond id="MALEYLACETATE-bond9" atomRefs="MALEYLACETATE-atom2 MALEYLACETATE-atom10" order="2"/> <bond id="MALEYLACETATE-bond10" atomRefs="MALEYLACETATE-atom1 MALEYLACETATE-atom9" order="2"/> <formula concise="C 6 H 6 O 5" formalCharge="0"/> 158.11 C(=O)(O)C=CC(=O)CC(O)=O
<atom id="CL--atom1" elementType="CL" x2="-1.0" y2="-1.0" formalCharge="-1"/> <formula concise="CL 1" formalCharge="-1"/> 35.453 [Cl-]
<atom id="6-CHQ-atom1" elementType="CL" x2="0.9958159" y2="-1.0"/> <atom id="6-CHQ-atom2" elementType="O" x2="-1.0" y2="-1.0"/> <atom id="6-CHQ-atom3" elementType="C" x2="-0.004184127" y2="-1.0"/> <atom id="6-CHQ-atom4" elementType="O" x2="-0.004184127" y2="0.7238493"/> <atom id="6-CHQ-atom5" elementType="C" x2="-0.004184127" y2="0.14644349"/> <atom id="6-CHQ-atom6" elementType="C" x2="-0.50209206" y2="-0.13807535"/> <atom id="6-CHQ-atom7" elementType="C" x2="0.49372387" y2="-0.13807535"/> <atom id="6-CHQ-atom8" elementType="C" x2="-0.50209206" y2="-0.71548116"/> <atom id="6-CHQ-atom9" elementType="O" x2="0.9958159" y2="0.14644349"/> <atom id="6-CHQ-atom10" elementType="C" x2="0.49372387" y2="-0.71548116"/> <bond id="6-CHQ-bond1" atomRefs="6-CHQ-atom10 6-CHQ-atom3" order="1"/> <bond id="6-CHQ-bond2" atomRefs="6-CHQ-atom10 6-CHQ-atom1" order="1"/> <bond id="6-CHQ-bond3" atomRefs="6-CHQ-atom8 6-CHQ-atom3" order="2"/> <bond id="6-CHQ-bond4" atomRefs="6-CHQ-atom8 6-CHQ-atom2" order="1"/> <bond id="6-CHQ-bond5" atomRefs="6-CHQ-atom7 6-CHQ-atom10" order="2"/> <bond id="6-CHQ-bond6" atomRefs="6-CHQ-atom7 6-CHQ-atom9" order="1"/> <bond id="6-CHQ-bond7" atomRefs="6-CHQ-atom6 6-CHQ-atom8" order="1"/> <bond id="6-CHQ-bond8" atomRefs="6-CHQ-atom5 6-CHQ-atom7" order="1"/> <bond id="6-CHQ-bond9" atomRefs="6-CHQ-atom5 6-CHQ-atom6" order="2"/> <bond id="6-CHQ-bond10" atomRefs="6-CHQ-atom4 6-CHQ-atom5" order="1"/> <formula concise="C 6 H 5 O 3 CL 1" formalCharge="0"/> 160.557 C1(C(Cl)=C(O)C(O)=CC=1O)
<atom id="14-DICHLOROBENZENE-atom1" elementType="CL" x2="2.866" y2="2.0"/> <atom id="14-DICHLOROBENZENE-atom2" elementType="C" x2="2.866" y2="1.0"/> <atom id="14-DICHLOROBENZENE-atom3" elementType="C" x2="2.0" y2="0.5"/> <atom id="14-DICHLOROBENZENE-atom4" elementType="C" x2="3.7321" y2="0.5"/> <atom id="14-DICHLOROBENZENE-atom5" elementType="C" x2="2.0" y2="-0.5"/> <atom id="14-DICHLOROBENZENE-atom6" elementType="C" x2="3.7321" y2="-0.5"/> <atom id="14-DICHLOROBENZENE-atom7" elementType="C" x2="2.866" y2="-1.0"/> <atom id="14-DICHLOROBENZENE-atom8" elementType="CL" x2="2.866" y2="-2.0"/> <bond id="14-DICHLOROBENZENE-bond1" atomRefs="14-DICHLOROBENZENE-atom1 14-DICHLOROBENZENE-atom2" order="1"/> <bond id="14-DICHLOROBENZENE-bond2" atomRefs="14-DICHLOROBENZENE-atom2 14-DICHLOROBENZENE-atom3" order="2"/> <bond id="14-DICHLOROBENZENE-bond3" atomRefs="14-DICHLOROBENZENE-atom2 14-DICHLOROBENZENE-atom4" order="1"/> <bond id="14-DICHLOROBENZENE-bond4" atomRefs="14-DICHLOROBENZENE-atom3 14-DICHLOROBENZENE-atom5" order="1"/> <bond id="14-DICHLOROBENZENE-bond5" atomRefs="14-DICHLOROBENZENE-atom4 14-DICHLOROBENZENE-atom6" order="2"/> <bond id="14-DICHLOROBENZENE-bond6" atomRefs="14-DICHLOROBENZENE-atom5 14-DICHLOROBENZENE-atom7" order="2"/> <bond id="14-DICHLOROBENZENE-bond7" atomRefs="14-DICHLOROBENZENE-atom7 14-DICHLOROBENZENE-atom8" order="1"/> <bond id="14-DICHLOROBENZENE-bond8" atomRefs="14-DICHLOROBENZENE-atom6 14-DICHLOROBENZENE-atom7" order="1"/> <formula concise="C 6 H 4 CL 2" formalCharge="0"/> 147.004 C1(=CC=C(Cl)C=C1)(Cl)
<atom id="MANNOSE-atom1" elementType="C" x2="-3.0668" y2="-1.7875"/> <atom id="MANNOSE-atom2" elementType="C" x2="-3.7813" y2="-1.375"/> <atom id="MANNOSE-atom3" elementType="C" x2="-2.3523" y2="-1.375"/> <atom id="MANNOSE-atom4" elementType="C" x2="-1.6378" y2="-1.7875"/> <atom id="MANNOSE-atom5" elementType="C" x2="-0.9234" y2="-1.375"/> <atom id="MANNOSE-atom6" elementType="O" x2="-0.2089" y2="-1.7875"/> <atom id="MANNOSE-atom7" elementType="C" x2="-4.4957" y2="-1.7875"/> <atom id="MANNOSE-atom8" elementType="O" x2="-5.2102" y2="-1.375"/> <atom id="MANNOSE-atom9" elementType="O" x2="-3.0668" y2="-2.6125"/> <atom id="MANNOSE-atom10" elementType="O" x2="-1.6378" y2="-2.6125"/> <atom id="MANNOSE-atom11" elementType="O" x2="-2.3523" y2="-0.55"/> <atom id="MANNOSE-atom12" elementType="O" x2="-3.7813" y2="-0.55"/> <bond id="MANNOSE-bond1" atomRefs="MANNOSE-atom4 MANNOSE-atom10" order="1"/> <bond id="MANNOSE-bond2" atomRefs="MANNOSE-atom2 MANNOSE-atom12" order="1"/> <bond id="MANNOSE-bond3" atomRefs="MANNOSE-atom3 MANNOSE-atom11" order="1"/> <bond id="MANNOSE-bond4" atomRefs="MANNOSE-atom1 MANNOSE-atom9" order="1"/> <bond id="MANNOSE-bond5" atomRefs="MANNOSE-atom7 MANNOSE-atom8" order="1"/> <bond id="MANNOSE-bond6" atomRefs="MANNOSE-atom5 MANNOSE-atom6" order="2"/> <bond id="MANNOSE-bond7" atomRefs="MANNOSE-atom4 MANNOSE-atom5" order="1"/> <bond id="MANNOSE-bond8" atomRefs="MANNOSE-atom3 MANNOSE-atom4" order="1"/> <bond id="MANNOSE-bond9" atomRefs="MANNOSE-atom2 MANNOSE-atom7" order="1"/> <bond id="MANNOSE-bond10" atomRefs="MANNOSE-atom1 MANNOSE-atom3" order="1"/> <bond id="MANNOSE-bond11" atomRefs="MANNOSE-atom2 MANNOSE-atom1" order="1"/> <formula concise="C 6 H 12 O 6" formalCharge="0"/> 180.157 C(=O)C(O)C(O)C(O)C(O)CO
<atom id="GLUTACONYL-COA-atom1" elementType="C" x2="-0.6290532" y2="-0.14915693"/> <atom id="GLUTACONYL-COA-atom2" elementType="N" x2="-1.0" y2="-0.2217899"/> <atom id="GLUTACONYL-COA-atom3" elementType="H" x2="0.6835278" y2="-0.3177691"/> <atom id="GLUTACONYL-COA-atom4" elementType="O" x2="0.66536963" y2="-0.8339819"/> <atom id="GLUTACONYL-COA-atom5" elementType="C" x2="0.60570693" y2="0.18287933"/> <atom id="GLUTACONYL-COA-atom6" elementType="O" x2="-0.17509729" y2="-0.2918288"/> <atom id="GLUTACONYL-COA-atom7" elementType="C" x2="-0.6290532" y2="-0.31517512"/> <atom id="GLUTACONYL-COA-atom8" elementType="C" x2="-0.8702983" y2="-0.14915693"/> <atom id="GLUTACONYL-COA-atom9" elementType="O" x2="0.28664076" y2="-0.12581062"/> <atom id="GLUTACONYL-COA-atom10" elementType="P" x2="0.12840462" y2="-0.12581062"/> <atom id="GLUTACONYL-COA-atom11" elementType="O" x2="0.6498054" y2="-0.5953307"/> <atom id="GLUTACONYL-COA-atom12" elementType="H" x2="0.74319065" y2="-0.40337223"/> <atom 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id="GLUTACONYL-COA-bond1" atomRefs="GLUTACONYL-COA-atom60 GLUTACONYL-COA-atom51" order="1"/> <bond id="GLUTACONYL-COA-bond2" atomRefs="GLUTACONYL-COA-atom59 GLUTACONYL-COA-atom10" order="1"/> <bond id="GLUTACONYL-COA-bond3" atomRefs="GLUTACONYL-COA-atom57 GLUTACONYL-COA-atom53" order="1"/> <bond id="GLUTACONYL-COA-bond4" atomRefs="GLUTACONYL-COA-atom56 GLUTACONYL-COA-atom48" order="A"/> <bond id="GLUTACONYL-COA-bond5" atomRefs="GLUTACONYL-COA-atom55 GLUTACONYL-COA-atom28" order="1"/> <bond id="GLUTACONYL-COA-bond6" atomRefs="GLUTACONYL-COA-atom54 GLUTACONYL-COA-atom10" order="1"/> <bond id="GLUTACONYL-COA-bond7" atomRefs="GLUTACONYL-COA-atom53 GLUTACONYL-COA-atom16" order="1"/> <bond id="GLUTACONYL-COA-bond8" atomRefs="GLUTACONYL-COA-atom52 GLUTACONYL-COA-atom41" order="1"/> <bond id="GLUTACONYL-COA-bond9" atomRefs="GLUTACONYL-COA-atom52 GLUTACONYL-COA-atom17" order="1"/> <bond id="GLUTACONYL-COA-bond10" atomRefs="GLUTACONYL-COA-atom51 GLUTACONYL-COA-atom49" order="1"/> <bond id="GLUTACONYL-COA-bond11" atomRefs="GLUTACONYL-COA-atom50 GLUTACONYL-COA-atom38" order="1"/> <bond id="GLUTACONYL-COA-bond12" atomRefs="GLUTACONYL-COA-atom49 GLUTACONYL-COA-atom22" order="1"/> <bond id="GLUTACONYL-COA-bond13" atomRefs="GLUTACONYL-COA-atom48 GLUTACONYL-COA-atom14" order="A"/> <bond id="GLUTACONYL-COA-bond14" atomRefs="GLUTACONYL-COA-atom47 GLUTACONYL-COA-atom33" order="1"/> <bond id="GLUTACONYL-COA-bond15" atomRefs="GLUTACONYL-COA-atom46 GLUTACONYL-COA-atom59" order="1"/> <bond id="GLUTACONYL-COA-bond16" atomRefs="GLUTACONYL-COA-atom45 GLUTACONYL-COA-atom57" order="2"/> <bond id="GLUTACONYL-COA-bond17" atomRefs="GLUTACONYL-COA-atom44 GLUTACONYL-COA-atom10" order="2"/> <bond id="GLUTACONYL-COA-bond18" atomRefs="GLUTACONYL-COA-atom43 GLUTACONYL-COA-atom13" order="1"/> <bond id="GLUTACONYL-COA-bond19" atomRefs="GLUTACONYL-COA-atom42 GLUTACONYL-COA-atom41" order="A"/> <bond id="GLUTACONYL-COA-bond20" atomRefs="GLUTACONYL-COA-atom41 GLUTACONYL-COA-atom23" order="A"/> <bond id="GLUTACONYL-COA-bond21" atomRefs="GLUTACONYL-COA-atom40 GLUTACONYL-COA-atom60" order="1"/> <bond id="GLUTACONYL-COA-bond22" atomRefs="GLUTACONYL-COA-atom39 GLUTACONYL-COA-atom8" order="2"/> <bond id="GLUTACONYL-COA-bond23" atomRefs="GLUTACONYL-COA-atom38 GLUTACONYL-COA-atom46" order="1"/> <bond id="GLUTACONYL-COA-bond24" atomRefs="GLUTACONYL-COA-atom37 GLUTACONYL-COA-atom52" order="1"/> <bond id="GLUTACONYL-COA-bond25" atomRefs="GLUTACONYL-COA-atom36 GLUTACONYL-COA-atom17" order="1"/> <bond id="GLUTACONYL-COA-bond26" atomRefs="GLUTACONYL-COA-atom35 GLUTACONYL-COA-atom49" order="2"/> <bond id="GLUTACONYL-COA-bond27" atomRefs="GLUTACONYL-COA-atom34 GLUTACONYL-COA-atom58" order="1"/> <bond id="GLUTACONYL-COA-bond28" atomRefs="GLUTACONYL-COA-atom33 GLUTACONYL-COA-atom58" order="1"/> <bond id="GLUTACONYL-COA-bond29" atomRefs="GLUTACONYL-COA-atom33 GLUTACONYL-COA-atom17" order="1"/> <bond id="GLUTACONYL-COA-bond30" atomRefs="GLUTACONYL-COA-atom32 GLUTACONYL-COA-atom1" order="1"/> <bond id="GLUTACONYL-COA-bond31" atomRefs="GLUTACONYL-COA-atom31 GLUTACONYL-COA-atom46" order="2"/> <bond id="GLUTACONYL-COA-bond32" atomRefs="GLUTACONYL-COA-atom30 GLUTACONYL-COA-atom2" order="1"/> <bond id="GLUTACONYL-COA-bond33" atomRefs="GLUTACONYL-COA-atom29 GLUTACONYL-COA-atom23" order="A"/> <bond id="GLUTACONYL-COA-bond34" atomRefs="GLUTACONYL-COA-atom28 GLUTACONYL-COA-atom37" order="1"/> <bond id="GLUTACONYL-COA-bond35" atomRefs="GLUTACONYL-COA-atom28 GLUTACONYL-COA-atom33" order="1"/> <bond id="GLUTACONYL-COA-bond36" atomRefs="GLUTACONYL-COA-atom27 GLUTACONYL-COA-atom34" order="1"/> <bond id="GLUTACONYL-COA-bond37" atomRefs="GLUTACONYL-COA-atom26 GLUTACONYL-COA-atom34" order="1"/> <bond id="GLUTACONYL-COA-bond38" atomRefs="GLUTACONYL-COA-atom25 GLUTACONYL-COA-atom32" order="1"/> <bond id="GLUTACONYL-COA-bond39" atomRefs="GLUTACONYL-COA-atom24 GLUTACONYL-COA-atom43" order="2"/> <bond id="GLUTACONYL-COA-bond40" atomRefs="GLUTACONYL-COA-atom23 GLUTACONYL-COA-atom5" order="A"/> <bond id="GLUTACONYL-COA-bond41" atomRefs="GLUTACONYL-COA-atom22 GLUTACONYL-COA-atom30" order="1"/> <bond id="GLUTACONYL-COA-bond42" atomRefs="GLUTACONYL-COA-atom21 GLUTACONYL-COA-atom56" order="1"/> <bond id="GLUTACONYL-COA-bond43" atomRefs="GLUTACONYL-COA-atom20 GLUTACONYL-COA-atom1" order="1"/> <bond id="GLUTACONYL-COA-bond44" atomRefs="GLUTACONYL-COA-atom19 GLUTACONYL-COA-atom42" order="A"/> <bond id="GLUTACONYL-COA-bond45" atomRefs="GLUTACONYL-COA-atom18 GLUTACONYL-COA-atom53" order="2"/> <bond id="GLUTACONYL-COA-bond46" atomRefs="GLUTACONYL-COA-atom16 GLUTACONYL-COA-atom40" order="1"/> <bond id="GLUTACONYL-COA-bond47" atomRefs="GLUTACONYL-COA-atom15 GLUTACONYL-COA-atom28" order="1"/> <bond id="GLUTACONYL-COA-bond48" atomRefs="GLUTACONYL-COA-atom14 GLUTACONYL-COA-atom29" order="A"/> <bond id="GLUTACONYL-COA-bond49" atomRefs="GLUTACONYL-COA-atom13 GLUTACONYL-COA-atom45" order="1"/> <bond id="GLUTACONYL-COA-bond50" atomRefs="GLUTACONYL-COA-atom12 GLUTACONYL-COA-atom52" order="1"/> <bond id="GLUTACONYL-COA-bond51" atomRefs="GLUTACONYL-COA-atom11 GLUTACONYL-COA-atom43" order="1"/> <bond id="GLUTACONYL-COA-bond52" atomRefs="GLUTACONYL-COA-atom10 GLUTACONYL-COA-atom9" order="1"/> <bond id="GLUTACONYL-COA-bond53" atomRefs="GLUTACONYL-COA-atom9 GLUTACONYL-COA-atom15" order="1"/> <bond id="GLUTACONYL-COA-bond54" atomRefs="GLUTACONYL-COA-atom8 GLUTACONYL-COA-atom32" order="1"/> <bond id="GLUTACONYL-COA-bond55" atomRefs="GLUTACONYL-COA-atom7 GLUTACONYL-COA-atom1" order="1"/> <bond id="GLUTACONYL-COA-bond56" atomRefs="GLUTACONYL-COA-atom6 GLUTACONYL-COA-atom46" order="1"/> <bond id="GLUTACONYL-COA-bond57" atomRefs="GLUTACONYL-COA-atom5 GLUTACONYL-COA-atom19" order="A"/> <bond id="GLUTACONYL-COA-bond58" atomRefs="GLUTACONYL-COA-atom5 GLUTACONYL-COA-atom56" order="A"/> <bond id="GLUTACONYL-COA-bond59" atomRefs="GLUTACONYL-COA-atom4 GLUTACONYL-COA-atom34" order="2"/> <bond id="GLUTACONYL-COA-bond60" atomRefs="GLUTACONYL-COA-atom3 GLUTACONYL-COA-atom17" order="1"/> <bond id="GLUTACONYL-COA-bond61" atomRefs="GLUTACONYL-COA-atom2 GLUTACONYL-COA-atom8" order="1"/> <bond id="GLUTACONYL-COA-bond62" atomRefs="GLUTACONYL-COA-atom1 GLUTACONYL-COA-atom50" order="1"/> <formula concise="C 26 H 40 N 7 O 19 P 3 S 1" formalCharge="0"/> 879.619 CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C=CCC(=O)O)COP(O)(=O)OP(=O)(O)OC[CH]1(O[CH]([CH](O)[CH]1OP(O)(O)=O)n2(c3(c(nc2)c(N)ncn3)))
<atom id="3-KETO-ADIPATE-atom1" elementType="C" x2="0.7309" y2="-0.68771"/> <atom id="3-KETO-ADIPATE-atom2" elementType="O" x2="0.77409" y2="-1.0"/> <atom id="3-KETO-ADIPATE-atom3" elementType="C" x2="0.1495" y2="-0.74419"/> <atom id="3-KETO-ADIPATE-atom4" elementType="C" x2="-0.15947" y2="-0.63455"/> <atom id="3-KETO-ADIPATE-atom5" elementType="O" x2="0.99668" y2="-0.51827"/> <atom id="3-KETO-ADIPATE-atom6" elementType="C" x2="0.42193" y2="-0.57475"/> <atom id="3-KETO-ADIPATE-atom7" elementType="O" x2="-0.20598" y2="-0.32226"/> <atom id="3-KETO-ADIPATE-atom8" elementType="O" x2="-0.78405" y2="-0.37874"/> <atom id="3-KETO-ADIPATE-atom9" elementType="C" x2="-0.42525" y2="-0.80399"/> <atom id="3-KETO-ADIPATE-atom10" elementType="O" x2="-1.0" y2="-0.86047"/> <atom id="3-KETO-ADIPATE-atom11" elementType="C" x2="-0.73422" y2="-0.69103"/> <bond id="3-KETO-ADIPATE-bond1" atomRefs="3-KETO-ADIPATE-atom10 3-KETO-ADIPATE-atom11" order="1"/> <bond id="3-KETO-ADIPATE-bond2" atomRefs="3-KETO-ADIPATE-atom9 3-KETO-ADIPATE-atom11" order="1"/> <bond id="3-KETO-ADIPATE-bond3" atomRefs="3-KETO-ADIPATE-atom8 3-KETO-ADIPATE-atom11" order="2"/> <bond id="3-KETO-ADIPATE-bond4" atomRefs="3-KETO-ADIPATE-atom7 3-KETO-ADIPATE-atom4" order="2"/> <bond id="3-KETO-ADIPATE-bond5" atomRefs="3-KETO-ADIPATE-atom6 3-KETO-ADIPATE-atom3" order="1"/> <bond id="3-KETO-ADIPATE-bond6" atomRefs="3-KETO-ADIPATE-atom5 3-KETO-ADIPATE-atom1" order="2"/> <bond id="3-KETO-ADIPATE-bond7" atomRefs="3-KETO-ADIPATE-atom4 3-KETO-ADIPATE-atom9" order="1"/> <bond id="3-KETO-ADIPATE-bond8" atomRefs="3-KETO-ADIPATE-atom3 3-KETO-ADIPATE-atom4" order="1"/> <bond id="3-KETO-ADIPATE-bond9" atomRefs="3-KETO-ADIPATE-atom2 3-KETO-ADIPATE-atom1" order="1"/> <bond id="3-KETO-ADIPATE-bond10" atomRefs="3-KETO-ADIPATE-atom1 3-KETO-ADIPATE-atom6" order="1"/> <formula concise="C 6 H 8 O 5" formalCharge="0"/> 160.126 C(O)(=O)CCC(=O)CC(O)=O
<atom id="MALTOTRIOSE-atom1" elementType="O" x2="1.0238" y2="2.9314"/> <atom id="MALTOTRIOSE-atom2" elementType="O" x2="-0.277" y2="3.684"/> <atom id="MALTOTRIOSE-atom3" elementType="O" x2="-1.5777" y2="2.9314"/> <atom id="MALTOTRIOSE-atom4" elementType="O" x2="-0.277" y2="1.4305"/> <atom id="MALTOTRIOSE-atom5" elementType="C" x2="0.3733" y2="1.8089"/> <atom id="MALTOTRIOSE-atom6" elementType="C" x2="0.3733" y2="2.5571"/> <atom id="MALTOTRIOSE-atom7" elementType="C" x2="-0.277" y2="2.9314"/> <atom id="MALTOTRIOSE-atom8" elementType="C" x2="-0.9316" y2="2.5571"/> <atom id="MALTOTRIOSE-atom9" elementType="C" x2="-0.9316" y2="1.8089"/> <atom id="MALTOTRIOSE-atom10" elementType="O" x2="3.1646" y2="2.109"/> <atom id="MALTOTRIOSE-atom11" elementType="O" x2="3.1646" y2="-0.1445"/> <atom id="MALTOTRIOSE-atom12" elementType="C" x2="3.815" y2="0.2339"/> <atom id="MALTOTRIOSE-atom13" elementType="C" x2="3.815" y2="0.9821"/> <atom id="MALTOTRIOSE-atom14" elementType="C" x2="3.1646" y2="1.3564"/> <atom id="MALTOTRIOSE-atom15" elementType="C" x2="2.5101" y2="0.9821"/> <atom id="MALTOTRIOSE-atom16" elementType="C" x2="2.5101" y2="0.2339"/> <atom id="MALTOTRIOSE-atom17" elementType="O" x2="7.9946" y2="-2.0986"/> <atom id="MALTOTRIOSE-atom18" elementType="O" x2="7.9946" y2="-0.5978"/> <atom id="MALTOTRIOSE-atom19" elementType="O" x2="6.6938" y2="0.1548"/> <atom id="MALTOTRIOSE-atom20" elementType="O" x2="6.6938" y2="-2.0986"/> <atom id="MALTOTRIOSE-atom21" elementType="C" x2="7.3442" y2="-1.7203"/> <atom id="MALTOTRIOSE-atom22" elementType="C" x2="7.3442" y2="-0.972"/> <atom id="MALTOTRIOSE-atom23" elementType="C" x2="6.6938" y2="-0.5978"/> <atom id="MALTOTRIOSE-atom24" elementType="C" x2="6.0393" y2="-0.972"/> <atom id="MALTOTRIOSE-atom25" elementType="C" x2="6.0393" y2="-1.7203"/> <atom id="MALTOTRIOSE-atom26" elementType="C" x2="-1.5812" y2="1.434"/> <atom id="MALTOTRIOSE-atom27" elementType="C" x2="1.8605" y2="-0.141"/> <atom id="MALTOTRIOSE-atom28" elementType="C" x2="5.3897" y2="-2.0951"/> <atom id="MALTOTRIOSE-atom29" elementType="O" x2="1.2111" y2="0.2342"/> <atom id="MALTOTRIOSE-atom30" elementType="O" x2="-2.2306" y2="1.8092"/> <atom id="MALTOTRIOSE-atom31" elementType="O" x2="1.5209" y2="1.3375"/> <atom id="MALTOTRIOSE-atom32" elementType="O" x2="4.4642" y2="1.3576"/> <atom id="MALTOTRIOSE-atom33" elementType="O" x2="4.9822" y2="-0.3998"/> <atom id="MALTOTRIOSE-atom34" elementType="O" x2="4.6811" y2="-1.691"/> <bond id="MALTOTRIOSE-bond1" atomRefs="MALTOTRIOSE-atom28 MALTOTRIOSE-atom34" order="1"/> <bond id="MALTOTRIOSE-bond2" atomRefs="MALTOTRIOSE-atom24 MALTOTRIOSE-atom33" order="1"/> <bond id="MALTOTRIOSE-bond3" atomRefs="MALTOTRIOSE-atom13 MALTOTRIOSE-atom32" order="1"/> <bond id="MALTOTRIOSE-bond4" atomRefs="MALTOTRIOSE-atom15 MALTOTRIOSE-atom31" order="1"/> <bond id="MALTOTRIOSE-bond5" atomRefs="MALTOTRIOSE-atom5 MALTOTRIOSE-atom31" order="1"/> <bond id="MALTOTRIOSE-bond6" atomRefs="MALTOTRIOSE-atom26 MALTOTRIOSE-atom30" order="1"/> <bond id="MALTOTRIOSE-bond7" atomRefs="MALTOTRIOSE-atom27 MALTOTRIOSE-atom29" order="1"/> <bond id="MALTOTRIOSE-bond8" atomRefs="MALTOTRIOSE-atom25 MALTOTRIOSE-atom28" order="1"/> <bond id="MALTOTRIOSE-bond9" atomRefs="MALTOTRIOSE-atom16 MALTOTRIOSE-atom27" order="1"/> <bond id="MALTOTRIOSE-bond10" atomRefs="MALTOTRIOSE-atom9 MALTOTRIOSE-atom26" order="1"/> <bond id="MALTOTRIOSE-bond11" atomRefs="MALTOTRIOSE-atom23 MALTOTRIOSE-atom19" order="1"/> <bond id="MALTOTRIOSE-bond12" atomRefs="MALTOTRIOSE-atom22 MALTOTRIOSE-atom18" order="1"/> <bond id="MALTOTRIOSE-bond13" atomRefs="MALTOTRIOSE-atom21 MALTOTRIOSE-atom17" order="1"/> <bond id="MALTOTRIOSE-bond14" atomRefs="MALTOTRIOSE-atom21 MALTOTRIOSE-atom20" order="1"/> <bond id="MALTOTRIOSE-bond15" atomRefs="MALTOTRIOSE-atom22 MALTOTRIOSE-atom21" order="1"/> <bond id="MALTOTRIOSE-bond16" atomRefs="MALTOTRIOSE-atom23 MALTOTRIOSE-atom22" order="1"/> <bond id="MALTOTRIOSE-bond17" atomRefs="MALTOTRIOSE-atom24 MALTOTRIOSE-atom23" order="1"/> <bond id="MALTOTRIOSE-bond18" atomRefs="MALTOTRIOSE-atom25 MALTOTRIOSE-atom24" order="1"/> <bond id="MALTOTRIOSE-bond19" atomRefs="MALTOTRIOSE-atom20 MALTOTRIOSE-atom25" order="1"/> <bond id="MALTOTRIOSE-bond20" atomRefs="MALTOTRIOSE-atom14 MALTOTRIOSE-atom10" order="1"/> <bond id="MALTOTRIOSE-bond21" atomRefs="MALTOTRIOSE-atom12 MALTOTRIOSE-atom33" order="1"/> <bond id="MALTOTRIOSE-bond22" atomRefs="MALTOTRIOSE-atom12 MALTOTRIOSE-atom11" order="1"/> <bond id="MALTOTRIOSE-bond23" atomRefs="MALTOTRIOSE-atom13 MALTOTRIOSE-atom12" order="1"/> <bond id="MALTOTRIOSE-bond24" atomRefs="MALTOTRIOSE-atom14 MALTOTRIOSE-atom13" order="1"/> <bond id="MALTOTRIOSE-bond25" atomRefs="MALTOTRIOSE-atom15 MALTOTRIOSE-atom14" order="1"/> <bond id="MALTOTRIOSE-bond26" atomRefs="MALTOTRIOSE-atom16 MALTOTRIOSE-atom15" order="1"/> <bond id="MALTOTRIOSE-bond27" atomRefs="MALTOTRIOSE-atom11 MALTOTRIOSE-atom16" order="1"/> <bond id="MALTOTRIOSE-bond28" atomRefs="MALTOTRIOSE-atom8 MALTOTRIOSE-atom3" order="1"/> <bond id="MALTOTRIOSE-bond29" atomRefs="MALTOTRIOSE-atom7 MALTOTRIOSE-atom2" order="1"/> <bond id="MALTOTRIOSE-bond30" atomRefs="MALTOTRIOSE-atom6 MALTOTRIOSE-atom1" order="1"/> <bond id="MALTOTRIOSE-bond31" atomRefs="MALTOTRIOSE-atom5 MALTOTRIOSE-atom4" order="1"/> <bond id="MALTOTRIOSE-bond32" atomRefs="MALTOTRIOSE-atom6 MALTOTRIOSE-atom5" order="1"/> <bond id="MALTOTRIOSE-bond33" atomRefs="MALTOTRIOSE-atom7 MALTOTRIOSE-atom6" order="1"/> <bond id="MALTOTRIOSE-bond34" atomRefs="MALTOTRIOSE-atom8 MALTOTRIOSE-atom7" order="1"/> <bond id="MALTOTRIOSE-bond35" atomRefs="MALTOTRIOSE-atom9 MALTOTRIOSE-atom8" order="1"/> <bond id="MALTOTRIOSE-bond36" atomRefs="MALTOTRIOSE-atom4 MALTOTRIOSE-atom9" order="1"/> <formula concise="C 18 H 32 O 16" formalCharge="0"/> 504.441 C1(C(O)C(O)C(O)C(O1)CO)OC2(C(O)C(O)C(OC2CO)OC3(C(CO)OC(O)C(O)C(O)3))
<atom id="PARATHION-atom1" elementType="C" x2="2.3022" y2="-0.8223"/> <atom id="PARATHION-atom2" elementType="C" x2="1.8858" y2="-1.5372"/> <atom id="PARATHION-atom3" elementType="C" x2="2.2967" y2="-2.2532"/> <atom id="PARATHION-atom4" elementType="C" x2="3.1238" y2="-2.2554"/> <atom id="PARATHION-atom5" elementType="C" x2="3.5383" y2="-1.5357"/> <atom id="PARATHION-atom6" elementType="C" x2="3.1251" y2="-0.8227"/> <atom id="PARATHION-atom7" elementType="N" x2="1.0608" y2="-1.5346" formalCharge="1"/> <atom id="PARATHION-atom8" elementType="O" x2="4.3633" y2="-1.5346"/> <atom id="PARATHION-atom9" elementType="P" x2="4.7768" y2="-2.2485"/> <atom id="PARATHION-atom10" elementType="O" x2="5.3583" y2="-1.6583"/> <atom id="PARATHION-atom11" elementType="O" x2="5.3583" y2="-2.8292"/> <atom id="PARATHION-atom12" elementType="O" x2="0.6506" y2="-0.8188"/> <atom id="PARATHION-atom13" elementType="S" x2="4.1832" y2="-2.8215"/> <atom id="PARATHION-atom14" elementType="C" x2="6.1568" y2="-1.866"/> <atom id="PARATHION-atom15" elementType="C" x2="6.7358" y2="-1.2783"/> <atom id="PARATHION-atom16" elementType="C" x2="5.1454" y2="-3.6262"/> <atom id="PARATHION-atom17" elementType="C" x2="5.9375" y2="-3.8375"/> <atom id="PARATHION-atom18" elementType="O" x2="0.8417" y2="-2.3292" formalCharge="-1"/> <bond id="PARATHION-bond1" atomRefs="PARATHION-atom7 PARATHION-atom18" order="1"/> <bond id="PARATHION-bond2" atomRefs="PARATHION-atom16 PARATHION-atom17" order="1"/> <bond id="PARATHION-bond3" atomRefs="PARATHION-atom5 PARATHION-atom8" order="1"/> <bond id="PARATHION-bond4" atomRefs="PARATHION-atom11 PARATHION-atom16" order="1"/> <bond id="PARATHION-bond5" atomRefs="PARATHION-atom4 PARATHION-atom3" order="A"/> <bond id="PARATHION-bond6" atomRefs="PARATHION-atom14 PARATHION-atom15" order="1"/> <bond id="PARATHION-bond7" atomRefs="PARATHION-atom2 PARATHION-atom7" order="1"/> <bond id="PARATHION-bond8" atomRefs="PARATHION-atom10 PARATHION-atom14" order="1"/> <bond id="PARATHION-bond9" atomRefs="PARATHION-atom2 PARATHION-atom1" order="A"/> <bond id="PARATHION-bond10" atomRefs="PARATHION-atom9 PARATHION-atom13" order="2"/> <bond id="PARATHION-bond11" atomRefs="PARATHION-atom1 PARATHION-atom6" order="A"/> <bond id="PARATHION-bond12" atomRefs="PARATHION-atom7 PARATHION-atom12" order="2"/> <bond id="PARATHION-bond13" atomRefs="PARATHION-atom6 PARATHION-atom5" order="A"/> <bond id="PARATHION-bond14" atomRefs="PARATHION-atom9 PARATHION-atom11" order="1"/> <bond id="PARATHION-bond15" atomRefs="PARATHION-atom3 PARATHION-atom2" order="A"/> <bond id="PARATHION-bond16" atomRefs="PARATHION-atom9 PARATHION-atom10" order="1"/> <bond id="PARATHION-bond17" atomRefs="PARATHION-atom5 PARATHION-atom4" order="A"/> <bond id="PARATHION-bond18" atomRefs="PARATHION-atom8 PARATHION-atom9" order="1"/> <formula concise="C 10 H 14 N 1 O 5 P 1 S 1" formalCharge="0"/> 291.258 C(C)OP(OCC)(=S)Oc1(ccc([N+]([O-])=O)cc1)
O,O-diethyl O-p-nitrophenyl phosphorothioate
Phosphorothioic acid O,O-diethyl-O-(4-nitrophenyl) ester
p-nitrophenol O-ester with O,O-diethylphosphorothioate
Diethyl O-p-nitrophenyl phosphorothioate
Ethyl parathion (O,O-diethyl-O-p-nitrophenylthiophosphate)
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<atom id="GLUCOSAMINE-1P-atom1" elementType="N" x2="6.0985" y2="-1.4"/> <atom id="GLUCOSAMINE-1P-atom2" elementType="O" x2="7.4772" y2="-2.779"/> <atom id="GLUCOSAMINE-1P-atom3" elementType="O" x2="0.0" y2="-3.567"/> <atom id="GLUCOSAMINE-1P-atom4" elementType="O" x2="3.6736" y2="0.0"/> <atom id="GLUCOSAMINE-1P-atom5" elementType="O" x2="1.2487" y2="-1.4"/> <atom id="GLUCOSAMINE-1P-atom6" elementType="O" x2="8.8983" y2="-4.1879"/> <atom id="GLUCOSAMINE-1P-atom7" elementType="O" x2="7.5195" y2="-5.5787"/> <atom id="GLUCOSAMINE-1P-atom8" elementType="C" x2="1.2487" y2="-4.2"/> <atom id="GLUCOSAMINE-1P-atom9" elementType="O" x2="3.6736" y2="-4.2"/> <atom id="GLUCOSAMINE-1P-atom10" elementType="O" x2="6.0985" y2="-4.2"/> <atom id="GLUCOSAMINE-1P-atom11" elementType="C" x2="4.886" y2="-2.1"/> <atom id="GLUCOSAMINE-1P-atom12" elementType="C" x2="3.6736" y2="-1.4"/> <atom id="GLUCOSAMINE-1P-atom13" elementType="C" x2="2.4612" y2="-2.1"/> <atom id="GLUCOSAMINE-1P-atom14" elementType="C" x2="2.4612" y2="-3.5"/> <atom id="GLUCOSAMINE-1P-atom15" elementType="C" x2="4.886" y2="-3.5"/> <atom id="GLUCOSAMINE-1P-atom16" elementType="P" x2="7.4983" y2="-4.1788"/> <bond id="GLUCOSAMINE-1P-bond1" atomRefs="GLUCOSAMINE-1P-atom13 GLUCOSAMINE-1P-atom14" order="1"/> <bond id="GLUCOSAMINE-1P-bond2" atomRefs="GLUCOSAMINE-1P-atom12 GLUCOSAMINE-1P-atom13" order="1"/> <bond id="GLUCOSAMINE-1P-bond3" atomRefs="GLUCOSAMINE-1P-atom11 GLUCOSAMINE-1P-atom15" order="1"/> <bond id="GLUCOSAMINE-1P-bond4" atomRefs="GLUCOSAMINE-1P-atom11 GLUCOSAMINE-1P-atom12" order="1"/> <bond id="GLUCOSAMINE-1P-bond5" atomRefs="GLUCOSAMINE-1P-atom10 GLUCOSAMINE-1P-atom16" order="1"/> <bond id="GLUCOSAMINE-1P-bond6" atomRefs="GLUCOSAMINE-1P-atom15 GLUCOSAMINE-1P-atom10" order="1"/> <bond id="GLUCOSAMINE-1P-bond7" atomRefs="GLUCOSAMINE-1P-atom9 GLUCOSAMINE-1P-atom15" order="1"/> <bond id="GLUCOSAMINE-1P-bond8" atomRefs="GLUCOSAMINE-1P-atom9 GLUCOSAMINE-1P-atom14" order="1"/> <bond id="GLUCOSAMINE-1P-bond9" atomRefs="GLUCOSAMINE-1P-atom14 GLUCOSAMINE-1P-atom8" order="1"/> <bond id="GLUCOSAMINE-1P-bond10" atomRefs="GLUCOSAMINE-1P-atom7 GLUCOSAMINE-1P-atom16" order="1"/> <bond id="GLUCOSAMINE-1P-bond11" atomRefs="GLUCOSAMINE-1P-atom6 GLUCOSAMINE-1P-atom16" order="1"/> <bond id="GLUCOSAMINE-1P-bond12" atomRefs="GLUCOSAMINE-1P-atom13 GLUCOSAMINE-1P-atom5" order="1"/> <bond id="GLUCOSAMINE-1P-bond13" atomRefs="GLUCOSAMINE-1P-atom12 GLUCOSAMINE-1P-atom4" order="1"/> <bond id="GLUCOSAMINE-1P-bond14" atomRefs="GLUCOSAMINE-1P-atom3 GLUCOSAMINE-1P-atom8" order="1"/> <bond id="GLUCOSAMINE-1P-bond15" atomRefs="GLUCOSAMINE-1P-atom2 GLUCOSAMINE-1P-atom16" order="2"/> <bond id="GLUCOSAMINE-1P-bond16" atomRefs="GLUCOSAMINE-1P-atom11 GLUCOSAMINE-1P-atom1" order="1"/> <formula concise="C 6 H 14 N 1 O 8 P 1" formalCharge="0"/> 259.152 C(O)C1(OC(OP(O)(O)=O)C(N)C(O)C1O)
<atom id="12-OXO-CIS-9-DODECENOATE-atom1" elementType="C" x2="-1.0" y2="-0.6439268"/> <atom id="12-OXO-CIS-9-DODECENOATE-atom2" elementType="C" x2="-0.27121466" y2="-0.42096508"/> <atom id="12-OXO-CIS-9-DODECENOATE-atom3" elementType="C" x2="0.70715475" y2="-0.39767057"/> <atom id="12-OXO-CIS-9-DODECENOATE-atom4" elementType="C" x2="-0.45091516" y2="-0.6439268"/> <atom id="12-OXO-CIS-9-DODECENOATE-atom5" elementType="C" x2="-0.108153105" y2="-0.6439268"/> <atom id="12-OXO-CIS-9-DODECENOATE-atom6" elementType="O" x2="-1.0" y2="-0.96672213"/> <atom id="12-OXO-CIS-9-DODECENOATE-atom7" elementType="C" x2="0.22795343" y2="-0.6439268"/> <atom id="12-OXO-CIS-9-DODECENOATE-atom8" elementType="O" x2="0.99667215" y2="-1.0"/> <atom id="12-OXO-CIS-9-DODECENOATE-atom9" elementType="C" x2="0.06821966" y2="-0.391015"/> <atom id="12-OXO-CIS-9-DODECENOATE-atom10" elementType="C" x2="-0.687188" y2="-0.6439268"/> <atom id="12-OXO-CIS-9-DODECENOATE-atom11" elementType="C" x2="0.5607321" y2="-0.65391016"/> <atom id="12-OXO-CIS-9-DODECENOATE-atom12" elementType="C" x2="-0.7936772" y2="-0.46089852"/> <atom id="12-OXO-CIS-9-DODECENOATE-atom13" elementType="C" x2="0.40099835" y2="-0.37770385"/> <atom id="12-OXO-CIS-9-DODECENOATE-atom14" elementType="C" x2="0.8502495" y2="-0.6439268"/> <atom id="12-OXO-CIS-9-DODECENOATE-atom15" elementType="O" x2="0.98003316" y2="-0.40765393"/> <bond id="12-OXO-CIS-9-DODECENOATE-bond1" atomRefs="12-OXO-CIS-9-DODECENOATE-atom15 12-OXO-CIS-9-DODECENOATE-atom14" order="1"/> <bond id="12-OXO-CIS-9-DODECENOATE-bond2" atomRefs="12-OXO-CIS-9-DODECENOATE-atom13 12-OXO-CIS-9-DODECENOATE-atom11" order="1"/> <bond id="12-OXO-CIS-9-DODECENOATE-bond3" atomRefs="12-OXO-CIS-9-DODECENOATE-atom12 12-OXO-CIS-9-DODECENOATE-atom1" order="1"/> <bond id="12-OXO-CIS-9-DODECENOATE-bond4" atomRefs="12-OXO-CIS-9-DODECENOATE-atom11 12-OXO-CIS-9-DODECENOATE-atom3" order="1"/> <bond id="12-OXO-CIS-9-DODECENOATE-bond5" atomRefs="12-OXO-CIS-9-DODECENOATE-atom10 12-OXO-CIS-9-DODECENOATE-atom12" order="1"/> <bond id="12-OXO-CIS-9-DODECENOATE-bond6" atomRefs="12-OXO-CIS-9-DODECENOATE-atom9 12-OXO-CIS-9-DODECENOATE-atom7" order="1"/> <bond id="12-OXO-CIS-9-DODECENOATE-bond7" atomRefs="12-OXO-CIS-9-DODECENOATE-atom8 12-OXO-CIS-9-DODECENOATE-atom14" order="2"/> <bond id="12-OXO-CIS-9-DODECENOATE-bond8" atomRefs="12-OXO-CIS-9-DODECENOATE-atom7 12-OXO-CIS-9-DODECENOATE-atom13" order="1"/> <bond id="12-OXO-CIS-9-DODECENOATE-bond9" atomRefs="12-OXO-CIS-9-DODECENOATE-atom5 12-OXO-CIS-9-DODECENOATE-atom9" order="1"/> <bond id="12-OXO-CIS-9-DODECENOATE-bond10" atomRefs="12-OXO-CIS-9-DODECENOATE-atom4 12-OXO-CIS-9-DODECENOATE-atom2" order="1"/> <bond id="12-OXO-CIS-9-DODECENOATE-bond11" atomRefs="12-OXO-CIS-9-DODECENOATE-atom4 12-OXO-CIS-9-DODECENOATE-atom10" order="2"/> <bond id="12-OXO-CIS-9-DODECENOATE-bond12" atomRefs="12-OXO-CIS-9-DODECENOATE-atom3 12-OXO-CIS-9-DODECENOATE-atom14" order="1"/> <bond id="12-OXO-CIS-9-DODECENOATE-bond13" atomRefs="12-OXO-CIS-9-DODECENOATE-atom2 12-OXO-CIS-9-DODECENOATE-atom5" order="1"/> <bond id="12-OXO-CIS-9-DODECENOATE-bond14" atomRefs="12-OXO-CIS-9-DODECENOATE-atom1 12-OXO-CIS-9-DODECENOATE-atom6" order="2"/> <formula concise="C 12 H 20 O 3" formalCharge="0"/> 212.288 C(=O)CC=CCCCCCCCC(O)=O
<atom id="CIS-3-HEXENAL-atom1" elementType="C" x2="-0.63061565" y2="-0.14475876"/> <atom id="CIS-3-HEXENAL-atom2" elementType="C" x2="0.28452575" y2="-0.45757073"/> <atom id="CIS-3-HEXENAL-atom3" elementType="C" x2="-0.2878536" y2="-0.45757073"/> <atom id="CIS-3-HEXENAL-atom4" elementType="C" x2="0.6206322" y2="-0.15141433"/> <atom id="CIS-3-HEXENAL-atom5" elementType="C" x2="0.99667215" y2="-0.45757073"/> <atom id="CIS-3-HEXENAL-atom6" elementType="C" x2="-1.0" y2="-0.45757073"/> <atom id="CIS-3-HEXENAL-atom7" elementType="O" x2="0.99667215" y2="-1.0"/> <bond id="CIS-3-HEXENAL-bond1" atomRefs="CIS-3-HEXENAL-atom6 CIS-3-HEXENAL-atom1" order="1"/> <bond id="CIS-3-HEXENAL-bond2" atomRefs="CIS-3-HEXENAL-atom5 CIS-3-HEXENAL-atom7" order="2"/> <bond id="CIS-3-HEXENAL-bond3" atomRefs="CIS-3-HEXENAL-atom4 CIS-3-HEXENAL-atom5" order="1"/> <bond id="CIS-3-HEXENAL-bond4" atomRefs="CIS-3-HEXENAL-atom3 CIS-3-HEXENAL-atom2" order="2"/> <bond id="CIS-3-HEXENAL-bond5" atomRefs="CIS-3-HEXENAL-atom2 CIS-3-HEXENAL-atom4" order="1"/> <bond id="CIS-3-HEXENAL-bond6" atomRefs="CIS-3-HEXENAL-atom1 CIS-3-HEXENAL-atom3" order="1"/> <formula concise="C 6 H 10 O 1" formalCharge="0"/> 98.144 C(=O)CC=CCC
<atom id="TRANS-2-HEXENAL-atom1" elementType="C" x2="-0.1836735" y2="0.044897914"/> <atom id="TRANS-2-HEXENAL-atom2" elementType="C" x2="-1.0" y2="0.044897914"/> <atom id="TRANS-2-HEXENAL-atom3" elementType="C" x2="0.12244892" y2="-0.33877552"/> <atom id="TRANS-2-HEXENAL-atom4" elementType="C" x2="-0.5795919" y2="-0.33877552"/> <atom id="TRANS-2-HEXENAL-atom5" elementType="C" x2="0.53469384" y2="0.0367347"/> <atom id="TRANS-2-HEXENAL-atom6" elementType="C" x2="0.9959183" y2="-0.33877552"/> <atom id="TRANS-2-HEXENAL-atom7" elementType="O" x2="0.9959183" y2="-1.0"/> <bond id="TRANS-2-HEXENAL-bond1" atomRefs="TRANS-2-HEXENAL-atom6 TRANS-2-HEXENAL-atom7" order="2"/> <bond id="TRANS-2-HEXENAL-bond2" atomRefs="TRANS-2-HEXENAL-atom5 TRANS-2-HEXENAL-atom6" order="1"/> <bond id="TRANS-2-HEXENAL-bond3" atomRefs="TRANS-2-HEXENAL-atom4 TRANS-2-HEXENAL-atom1" order="1"/> <bond id="TRANS-2-HEXENAL-bond4" atomRefs="TRANS-2-HEXENAL-atom3 TRANS-2-HEXENAL-atom5" order="2"/> <bond id="TRANS-2-HEXENAL-bond5" atomRefs="TRANS-2-HEXENAL-atom2 TRANS-2-HEXENAL-atom4" order="1"/> <bond id="TRANS-2-HEXENAL-bond6" atomRefs="TRANS-2-HEXENAL-atom1 TRANS-2-HEXENAL-atom3" order="1"/> <formula concise="C 6 H 10 O 1" formalCharge="0"/> 98.144 CCCC=CC=O
<atom id="CIS-3-HEXENOL-atom1" elementType="C" x2="4.5981" y2="-0.25"/> <atom id="CIS-3-HEXENOL-atom2" elementType="C" x2="5.4641" y2="0.25"/> <atom id="CIS-3-HEXENOL-atom3" elementType="C" x2="3.7321" y2="0.25"/> <atom id="CIS-3-HEXENOL-atom4" elementType="C" x2="6.3301" y2="-0.25"/> <atom id="CIS-3-HEXENOL-atom5" elementType="C" x2="2.866" y2="-0.25"/> <atom id="CIS-3-HEXENOL-atom6" elementType="C" x2="7.1962" y2="0.25"/> <atom id="CIS-3-HEXENOL-atom7" elementType="O" x2="2.0" y2="0.25"/> <bond id="CIS-3-HEXENOL-bond1" atomRefs="CIS-3-HEXENOL-atom1 CIS-3-HEXENOL-atom2" order="2"/> <bond id="CIS-3-HEXENOL-bond2" atomRefs="CIS-3-HEXENOL-atom1 CIS-3-HEXENOL-atom3" order="1"/> <bond id="CIS-3-HEXENOL-bond3" atomRefs="CIS-3-HEXENOL-atom2 CIS-3-HEXENOL-atom4" order="1"/> <bond id="CIS-3-HEXENOL-bond4" atomRefs="CIS-3-HEXENOL-atom3 CIS-3-HEXENOL-atom5" order="1"/> <bond id="CIS-3-HEXENOL-bond5" atomRefs="CIS-3-HEXENOL-atom4 CIS-3-HEXENOL-atom6" order="1"/> <bond id="CIS-3-HEXENOL-bond6" atomRefs="CIS-3-HEXENOL-atom5 CIS-3-HEXENOL-atom7" order="1"/> <formula concise="C 6 H 12 O 1" formalCharge="0"/> 100.16 C(O)CC=CCC
<atom id="TRANS-2-HEXENOL-atom1" elementType="C" x2="-0.28467155" y2="-0.66423357"/> <atom id="TRANS-2-HEXENOL-atom2" elementType="C" x2="-1.0" y2="-0.66423357"/> <atom id="TRANS-2-HEXENOL-atom3" elementType="C" x2="-0.016058445" y2="-1.0"/> <atom id="TRANS-2-HEXENOL-atom4" elementType="C" x2="-0.6321168" y2="-1.0"/> <atom id="TRANS-2-HEXENOL-atom5" elementType="C" x2="0.3459853" y2="-0.67007303"/> <atom id="TRANS-2-HEXENOL-atom6" elementType="C" x2="0.75182474" y2="-1.0"/> <atom id="TRANS-2-HEXENOL-atom7" elementType="O" x2="0.9970802" y2="-0.68759125"/> <bond id="TRANS-2-HEXENOL-bond1" atomRefs="TRANS-2-HEXENOL-atom6 TRANS-2-HEXENOL-atom7" order="1"/> <bond id="TRANS-2-HEXENOL-bond2" atomRefs="TRANS-2-HEXENOL-atom5 TRANS-2-HEXENOL-atom6" order="1"/> <bond id="TRANS-2-HEXENOL-bond3" atomRefs="TRANS-2-HEXENOL-atom4 TRANS-2-HEXENOL-atom1" order="1"/> <bond id="TRANS-2-HEXENOL-bond4" atomRefs="TRANS-2-HEXENOL-atom3 TRANS-2-HEXENOL-atom5" order="2"/> <bond id="TRANS-2-HEXENOL-bond5" atomRefs="TRANS-2-HEXENOL-atom2 TRANS-2-HEXENOL-atom4" order="1"/> <bond id="TRANS-2-HEXENOL-bond6" atomRefs="TRANS-2-HEXENOL-atom1 TRANS-2-HEXENOL-atom3" order="1"/> <formula concise="C 6 H 12 O 1" formalCharge="0"/> 100.16 CCCC=CCO
<atom id="12-OXO-TRANS-10-DODECENOATE-atom1" elementType="C" x2="0.22666669" y2="-0.6433333"/> <atom id="12-OXO-TRANS-10-DODECENOATE-atom2" elementType="C" x2="0.85" y2="-0.6433333"/> <atom id="12-OXO-TRANS-10-DODECENOATE-atom3" elementType="C" x2="0.7066667" y2="-0.39666665"/> <atom id="12-OXO-TRANS-10-DODECENOATE-atom4" elementType="C" x2="0.39999998" y2="-0.37666667"/> <atom id="12-OXO-TRANS-10-DODECENOATE-atom5" elementType="O" x2="0.99666667" y2="-1.0"/> <atom id="12-OXO-TRANS-10-DODECENOATE-atom6" elementType="C" x2="-0.45" y2="-0.6433333"/> <atom id="12-OXO-TRANS-10-DODECENOATE-atom7" elementType="C" x2="-0.7933333" y2="-0.45999998"/> <atom id="12-OXO-TRANS-10-DODECENOATE-atom8" elementType="C" x2="0.06666672" y2="-0.39"/> <atom id="12-OXO-TRANS-10-DODECENOATE-atom9" elementType="C" x2="0.56000006" y2="-0.6533333"/> <atom id="12-OXO-TRANS-10-DODECENOATE-atom10" elementType="C" x2="-0.106666625" y2="-0.6433333"/> <atom id="12-OXO-TRANS-10-DODECENOATE-atom11" elementType="C" x2="-0.68666667" y2="-0.6433333"/> <atom id="12-OXO-TRANS-10-DODECENOATE-atom12" elementType="O" x2="-1.0" y2="-0.96666664"/> <atom id="12-OXO-TRANS-10-DODECENOATE-atom13" elementType="C" x2="-1.0" y2="-0.6433333"/> <atom id="12-OXO-TRANS-10-DODECENOATE-atom14" elementType="O" x2="0.98" y2="-0.40666664"/> <atom id="12-OXO-TRANS-10-DODECENOATE-atom15" elementType="C" x2="-0.26999998" y2="-0.41999996"/> <bond id="12-OXO-TRANS-10-DODECENOATE-bond1" atomRefs="12-OXO-TRANS-10-DODECENOATE-atom15 12-OXO-TRANS-10-DODECENOATE-atom10" order="1"/> <bond id="12-OXO-TRANS-10-DODECENOATE-bond2" atomRefs="12-OXO-TRANS-10-DODECENOATE-atom14 12-OXO-TRANS-10-DODECENOATE-atom2" order="1"/> <bond id="12-OXO-TRANS-10-DODECENOATE-bond3" atomRefs="12-OXO-TRANS-10-DODECENOATE-atom13 12-OXO-TRANS-10-DODECENOATE-atom12" order="2"/> <bond id="12-OXO-TRANS-10-DODECENOATE-bond4" atomRefs="12-OXO-TRANS-10-DODECENOATE-atom11 12-OXO-TRANS-10-DODECENOATE-atom7" order="2"/> <bond id="12-OXO-TRANS-10-DODECENOATE-bond5" atomRefs="12-OXO-TRANS-10-DODECENOATE-atom10 12-OXO-TRANS-10-DODECENOATE-atom8" order="1"/> <bond id="12-OXO-TRANS-10-DODECENOATE-bond6" atomRefs="12-OXO-TRANS-10-DODECENOATE-atom9 12-OXO-TRANS-10-DODECENOATE-atom3" order="1"/> <bond id="12-OXO-TRANS-10-DODECENOATE-bond7" atomRefs="12-OXO-TRANS-10-DODECENOATE-atom8 12-OXO-TRANS-10-DODECENOATE-atom1" order="1"/> <bond id="12-OXO-TRANS-10-DODECENOATE-bond8" atomRefs="12-OXO-TRANS-10-DODECENOATE-atom7 12-OXO-TRANS-10-DODECENOATE-atom13" order="1"/> <bond id="12-OXO-TRANS-10-DODECENOATE-bond9" atomRefs="12-OXO-TRANS-10-DODECENOATE-atom6 12-OXO-TRANS-10-DODECENOATE-atom11" order="1"/> <bond id="12-OXO-TRANS-10-DODECENOATE-bond10" atomRefs="12-OXO-TRANS-10-DODECENOATE-atom6 12-OXO-TRANS-10-DODECENOATE-atom15" order="1"/> <bond id="12-OXO-TRANS-10-DODECENOATE-bond11" atomRefs="12-OXO-TRANS-10-DODECENOATE-atom5 12-OXO-TRANS-10-DODECENOATE-atom2" order="2"/> <bond id="12-OXO-TRANS-10-DODECENOATE-bond12" atomRefs="12-OXO-TRANS-10-DODECENOATE-atom4 12-OXO-TRANS-10-DODECENOATE-atom9" order="1"/> <bond id="12-OXO-TRANS-10-DODECENOATE-bond13" atomRefs="12-OXO-TRANS-10-DODECENOATE-atom3 12-OXO-TRANS-10-DODECENOATE-atom2" order="1"/> <bond id="12-OXO-TRANS-10-DODECENOATE-bond14" atomRefs="12-OXO-TRANS-10-DODECENOATE-atom1 12-OXO-TRANS-10-DODECENOATE-atom4" order="1"/> <formula concise="C 12 H 20 O 3" formalCharge="0"/> 212.288 C(=O)(O)CCCCCCCCC=CC=O
<cml> <molecule id="CPD-409" title="2-acylglycerol" dictRef="dictCPD-409"> <atomArray> <atom id="CPD-409-atom1" elementType="O" x2="4.8209" y2="4.4459"/> <atom id="CPD-409-atom2" elementType="C" x2="5.4704" y2="4.0709"/> <atom id="CPD-409-atom3" elementType="C" x2="6.1199" y2="4.4459"/> <atom id="CPD-409-atom4" elementType="C" x2="5.4704" y2="3.3209"/> <atom id="CPD-409-atom5" elementType="O" x2="6.1199" y2="2.9459"/> <atom id="CPD-409-atom6" elementType="O" x2="6.1199" y2="5.1959"/> <atom id="CPD-409-atom7" elementType="C" x2="4.8209" y2="5.1959"/> <atom id="CPD-409-atom8" elementType="R" x2="4.1714" y2="5.5709"/> <atom id="CPD-409-atom9" elementType="O" x2="5.4704" y2="5.5709"/> </atomArray> <bondArray> <bond id="CPD-409-bond1" atomRefs="CPD-409-atom7 CPD-409-atom9" order="2"/> <bond id="CPD-409-bond2" atomRefs="CPD-409-atom7 CPD-409-atom8" order="1"/> <bond id="CPD-409-bond3" atomRefs="CPD-409-atom1 CPD-409-atom7" order="1"/> <bond id="CPD-409-bond4" atomRefs="CPD-409-atom3 CPD-409-atom6" order="1"/> <bond id="CPD-409-bond5" atomRefs="CPD-409-atom4 CPD-409-atom5" order="1"/> <bond id="CPD-409-bond6" atomRefs="CPD-409-atom2 CPD-409-atom4" order="1"/> <bond id="CPD-409-bond7" atomRefs="CPD-409-atom2 CPD-409-atom3" order="1"/> <bond id="CPD-409-bond8" atomRefs="CPD-409-atom1 CPD-409-atom2" order="1"/> </bondArray> <formula concise="C 4 H 7 O 4 R 1" formalCharge="0"/> </molecule> </cml>
<cml> <molecule id="CPD-504" title="acylglycerol" dictRef="dictCPD-504"> <atomArray> <atom id="CPD-504-atom1" elementType="O" x2="3.5334" y2="2.6292"/> <atom id="CPD-504-atom2" elementType="C" x2="4.1829" y2="2.2542"/> <atom id="CPD-504-atom3" elementType="C" x2="4.8324" y2="2.6292"/> <atom id="CPD-504-atom4" elementType="C" x2="4.1829" y2="1.5042"/> <atom id="CPD-504-atom5" elementType="O" x2="4.8324" y2="1.1292"/> <atom id="CPD-504-atom6" elementType="C" x2="5.4819" y2="1.5042"/> <atom id="CPD-504-atom7" elementType="R" x2="5.4794" y2="2.2541"/> <atom id="CPD-504-atom8" elementType="O" x2="6.1303" y2="1.127"/> <atom id="CPD-504-atom9" elementType="O" x2="4.8324" y2="3.3792"/> </atomArray> <bondArray> <bond id="CPD-504-bond1" atomRefs="CPD-504-atom3 CPD-504-atom9" order="1"/> <bond id="CPD-504-bond2" atomRefs="CPD-504-atom5 CPD-504-atom6" order="1"/> <bond id="CPD-504-bond3" atomRefs="CPD-504-atom6 CPD-504-atom8" order="2"/> <bond id="CPD-504-bond4" atomRefs="CPD-504-atom6 CPD-504-atom7" order="1"/> <bond id="CPD-504-bond5" atomRefs="CPD-504-atom4 CPD-504-atom5" order="1"/> <bond id="CPD-504-bond6" atomRefs="CPD-504-atom2 CPD-504-atom4" order="1"/> <bond id="CPD-504-bond7" atomRefs="CPD-504-atom2 CPD-504-atom3" order="1"/> <bond id="CPD-504-bond8" atomRefs="CPD-504-atom1 CPD-504-atom2" order="1"/> </bondArray> <formula concise="C 4 H 7 O 4 R 1" formalCharge="0"/> </molecule> </cml>
<atom id="GDP-L-GALACTOSE-atom1" elementType="H" x2="6.632" y2="-5.7034"/> <atom id="GDP-L-GALACTOSE-atom2" elementType="N" x2="6.6456" y2="-4.0379"/> <atom id="GDP-L-GALACTOSE-atom3" elementType="O" x2="8.0665" y2="-6.5055"/> <atom id="GDP-L-GALACTOSE-atom4" elementType="O" x2="5.3131" y2="-3.3049"/> <atom id="GDP-L-GALACTOSE-atom5" elementType="O" x2="3.6711" y2="-3.3049"/> <atom id="GDP-L-GALACTOSE-atom6" elementType="O" x2="0.002" y2="-3.3048"/> <atom id="GDP-L-GALACTOSE-atom7" elementType="O" x2="0.0" y2="-0.833"/> <atom id="GDP-L-GALACTOSE-atom8" elementType="O" x2="7.2892" y2="-1.3253"/> <atom id="GDP-L-GALACTOSE-atom9" elementType="O" x2="1.4208" y2="0.0"/> <atom id="GDP-L-GALACTOSE-atom10" elementType="O" x2="2.8543" y2="-0.831"/> <atom id="GDP-L-GALACTOSE-atom11" elementType="O" x2="9.0817" y2="-1.324"/> <atom id="GDP-L-GALACTOSE-atom12" elementType="O" x2="5.3106" y2="-1.6639"/> <atom id="GDP-L-GALACTOSE-atom13" elementType="O" x2="3.6711" y2="-1.6639"/> <atom id="GDP-L-GALACTOSE-atom14" elementType="C" x2="10.0592" y2="-4.8555"/> <atom id="GDP-L-GALACTOSE-atom15" elementType="C" x2="0.002" y2="-2.4798"/> <atom id="GDP-L-GALACTOSE-atom16" elementType="C" x2="6.7455" y2="-3.0292"/> <atom id="GDP-L-GALACTOSE-atom17" elementType="N" x2="9.5783" y2="-5.5298"/> <atom id="GDP-L-GALACTOSE-atom18" elementType="N" x2="8.0688" y2="-4.0255"/> <atom id="GDP-L-GALACTOSE-atom19" elementType="O" x2="6.1336" y2="-2.4827"/> <atom id="GDP-L-GALACTOSE-atom20" elementType="O" x2="1.4233" y2="-2.4798"/> <atom id="GDP-L-GALACTOSE-atom21" elementType="O" x2="8.184" y2="-3.2502"/> <atom id="GDP-L-GALACTOSE-atom22" elementType="O" x2="2.8523" y2="-2.4817"/> <atom id="GDP-L-GALACTOSE-atom23" elementType="O" x2="4.4917" y2="-2.4845"/> <atom id="GDP-L-GALACTOSE-atom24" elementType="C" x2="7.3582" y2="-4.445"/> <atom id="GDP-L-GALACTOSE-atom25" elementType="C" x2="8.0688" y2="-5.6849"/> <atom id="GDP-L-GALACTOSE-atom26" elementType="C" x2="8.7886" y2="-5.2747"/> <atom id="GDP-L-GALACTOSE-atom27" elementType="C" x2="8.7886" y2="-4.445"/> <atom id="GDP-L-GALACTOSE-atom28" elementType="C" x2="0.7125" y2="-2.0695"/> <atom id="GDP-L-GALACTOSE-atom29" elementType="C" x2="7.5248" y2="-2.7725"/> <atom id="GDP-L-GALACTOSE-atom30" elementType="C" x2="0.7125" y2="-1.2399"/> <atom id="GDP-L-GALACTOSE-atom31" elementType="C" x2="7.7739" y2="-1.9874"/> <atom id="GDP-L-GALACTOSE-atom32" elementType="C" x2="1.4233" y2="-0.8205"/> <atom id="GDP-L-GALACTOSE-atom33" elementType="C" x2="2.143" y2="-1.2399"/> <atom id="GDP-L-GALACTOSE-atom34" elementType="C" x2="8.5989" y2="-1.9874"/> <atom id="GDP-L-GALACTOSE-atom35" elementType="C" x2="2.143" y2="-2.0695"/> <atom id="GDP-L-GALACTOSE-atom36" elementType="C" x2="8.8525" y2="-2.7725"/> <atom id="GDP-L-GALACTOSE-atom37" elementType="N" x2="7.3582" y2="-5.2747"/> <atom id="GDP-L-GALACTOSE-atom38" elementType="N" x2="9.5763" y2="-4.197"/> <atom id="GDP-L-GALACTOSE-atom39" elementType="P" x2="5.3122" y2="-2.4845"/> <atom id="GDP-L-GALACTOSE-atom40" elementType="P" x2="3.6711" y2="-2.4845"/> <bond id="GDP-L-GALACTOSE-bond1" atomRefs="GDP-L-GALACTOSE-atom1 GDP-L-GALACTOSE-atom37" order="1"/> <bond id="GDP-L-GALACTOSE-bond2" atomRefs="GDP-L-GALACTOSE-atom2 GDP-L-GALACTOSE-atom24" order="1"/> <bond id="GDP-L-GALACTOSE-bond3" atomRefs="GDP-L-GALACTOSE-atom3 GDP-L-GALACTOSE-atom25" order="2"/> <bond id="GDP-L-GALACTOSE-bond4" atomRefs="GDP-L-GALACTOSE-atom4 GDP-L-GALACTOSE-atom39" order="2"/> <bond id="GDP-L-GALACTOSE-bond5" atomRefs="GDP-L-GALACTOSE-atom5 GDP-L-GALACTOSE-atom40" order="2"/> <bond id="GDP-L-GALACTOSE-bond6" atomRefs="GDP-L-GALACTOSE-atom6 GDP-L-GALACTOSE-atom15" order="1"/> <bond id="GDP-L-GALACTOSE-bond7" atomRefs="GDP-L-GALACTOSE-atom30 GDP-L-GALACTOSE-atom7" order="1"/> <bond id="GDP-L-GALACTOSE-bond8" atomRefs="GDP-L-GALACTOSE-atom31 GDP-L-GALACTOSE-atom8" order="1"/> <bond id="GDP-L-GALACTOSE-bond9" atomRefs="GDP-L-GALACTOSE-atom32 GDP-L-GALACTOSE-atom9" order="1"/> <bond id="GDP-L-GALACTOSE-bond10" atomRefs="GDP-L-GALACTOSE-atom33 GDP-L-GALACTOSE-atom10" order="1"/> <bond id="GDP-L-GALACTOSE-bond11" atomRefs="GDP-L-GALACTOSE-atom34 GDP-L-GALACTOSE-atom11" order="1"/> <bond id="GDP-L-GALACTOSE-bond12" atomRefs="GDP-L-GALACTOSE-atom12 GDP-L-GALACTOSE-atom39" order="1"/> <bond id="GDP-L-GALACTOSE-bond13" atomRefs="GDP-L-GALACTOSE-atom13 GDP-L-GALACTOSE-atom40" order="1"/> <bond id="GDP-L-GALACTOSE-bond14" atomRefs="GDP-L-GALACTOSE-atom14 GDP-L-GALACTOSE-atom17" order="A"/> <bond id="GDP-L-GALACTOSE-bond15" atomRefs="GDP-L-GALACTOSE-atom38 GDP-L-GALACTOSE-atom14" order="A"/> <bond id="GDP-L-GALACTOSE-bond16" atomRefs="GDP-L-GALACTOSE-atom28 GDP-L-GALACTOSE-atom15" order="1"/> <bond id="GDP-L-GALACTOSE-bond17" atomRefs="GDP-L-GALACTOSE-atom16 GDP-L-GALACTOSE-atom19" order="1"/> <bond id="GDP-L-GALACTOSE-bond18" atomRefs="GDP-L-GALACTOSE-atom29 GDP-L-GALACTOSE-atom16" order="1"/> <bond id="GDP-L-GALACTOSE-bond19" atomRefs="GDP-L-GALACTOSE-atom17 GDP-L-GALACTOSE-atom26" order="A"/> <bond id="GDP-L-GALACTOSE-bond20" atomRefs="GDP-L-GALACTOSE-atom18 GDP-L-GALACTOSE-atom24" order="A"/> <bond id="GDP-L-GALACTOSE-bond21" atomRefs="GDP-L-GALACTOSE-atom27 GDP-L-GALACTOSE-atom18" order="A"/> <bond id="GDP-L-GALACTOSE-bond22" atomRefs="GDP-L-GALACTOSE-atom19 GDP-L-GALACTOSE-atom39" order="1"/> <bond id="GDP-L-GALACTOSE-bond23" atomRefs="GDP-L-GALACTOSE-atom20 GDP-L-GALACTOSE-atom28" order="1"/> <bond id="GDP-L-GALACTOSE-bond24" atomRefs="GDP-L-GALACTOSE-atom20 GDP-L-GALACTOSE-atom35" order="1"/> <bond id="GDP-L-GALACTOSE-bond25" atomRefs="GDP-L-GALACTOSE-atom21 GDP-L-GALACTOSE-atom29" order="1"/> <bond id="GDP-L-GALACTOSE-bond26" atomRefs="GDP-L-GALACTOSE-atom21 GDP-L-GALACTOSE-atom36" order="1"/> <bond id="GDP-L-GALACTOSE-bond27" atomRefs="GDP-L-GALACTOSE-atom35 GDP-L-GALACTOSE-atom22" order="1"/> <bond id="GDP-L-GALACTOSE-bond28" atomRefs="GDP-L-GALACTOSE-atom22 GDP-L-GALACTOSE-atom40" order="1"/> <bond id="GDP-L-GALACTOSE-bond29" atomRefs="GDP-L-GALACTOSE-atom23 GDP-L-GALACTOSE-atom39" order="1"/> <bond id="GDP-L-GALACTOSE-bond30" atomRefs="GDP-L-GALACTOSE-atom23 GDP-L-GALACTOSE-atom40" order="1"/> <bond id="GDP-L-GALACTOSE-bond31" atomRefs="GDP-L-GALACTOSE-atom24 GDP-L-GALACTOSE-atom37" order="A"/> <bond id="GDP-L-GALACTOSE-bond32" atomRefs="GDP-L-GALACTOSE-atom25 GDP-L-GALACTOSE-atom26" order="A"/> <bond id="GDP-L-GALACTOSE-bond33" atomRefs="GDP-L-GALACTOSE-atom37 GDP-L-GALACTOSE-atom25" order="A"/> <bond id="GDP-L-GALACTOSE-bond34" atomRefs="GDP-L-GALACTOSE-atom26 GDP-L-GALACTOSE-atom27" order="A"/> <bond id="GDP-L-GALACTOSE-bond35" atomRefs="GDP-L-GALACTOSE-atom27 GDP-L-GALACTOSE-atom38" order="A"/> <bond id="GDP-L-GALACTOSE-bond36" atomRefs="GDP-L-GALACTOSE-atom28 GDP-L-GALACTOSE-atom30" order="1"/> <bond id="GDP-L-GALACTOSE-bond37" atomRefs="GDP-L-GALACTOSE-atom29 GDP-L-GALACTOSE-atom31" order="1"/> <bond id="GDP-L-GALACTOSE-bond38" atomRefs="GDP-L-GALACTOSE-atom30 GDP-L-GALACTOSE-atom32" order="1"/> <bond id="GDP-L-GALACTOSE-bond39" atomRefs="GDP-L-GALACTOSE-atom31 GDP-L-GALACTOSE-atom34" order="1"/> <bond id="GDP-L-GALACTOSE-bond40" atomRefs="GDP-L-GALACTOSE-atom32 GDP-L-GALACTOSE-atom33" order="1"/> <bond id="GDP-L-GALACTOSE-bond41" atomRefs="GDP-L-GALACTOSE-atom33 GDP-L-GALACTOSE-atom35" order="1"/> <bond id="GDP-L-GALACTOSE-bond42" atomRefs="GDP-L-GALACTOSE-atom34 GDP-L-GALACTOSE-atom36" order="1"/> <bond id="GDP-L-GALACTOSE-bond43" atomRefs="GDP-L-GALACTOSE-atom36 GDP-L-GALACTOSE-atom38" order="1"/> <formula concise="C 16 H 25 N 5 O 16 P 2" formalCharge="0"/> 605.345 C(O)C1(OC(C(O)C(O)C(O)1)OP(O)(=O)OP(O)(=O)OCC2(OC(C(O)C(O)2)n3(c4(c(nc3)c(=O)[nH]c(N)n4))))
<atom id="L-GALACTOSE-atom1" elementType="C" x2="-0.5895" y2="0.6812"/> <atom id="L-GALACTOSE-atom2" elementType="C" x2="-0.5895" y2="1.5063"/> <atom id="L-GALACTOSE-atom3" elementType="C" x2="0.125" y2="1.9188"/> <atom id="L-GALACTOSE-atom4" elementType="C" x2="0.8395" y2="1.5063"/> <atom id="L-GALACTOSE-atom5" elementType="C" x2="0.8395" y2="0.6812"/> <atom id="L-GALACTOSE-atom6" elementType="O" x2="0.125" y2="0.2687"/> <atom id="L-GALACTOSE-atom7" elementType="O" x2="1.5539" y2="0.2687"/> <atom id="L-GALACTOSE-atom8" elementType="O" x2="1.5539" y2="1.9188"/> <atom id="L-GALACTOSE-atom9" elementType="O" x2="0.125" y2="2.7438"/> <atom id="L-GALACTOSE-atom10" elementType="O" x2="-1.3039" y2="1.9188"/> <atom id="L-GALACTOSE-atom11" elementType="C" x2="-1.3039" y2="0.2687"/> <atom id="L-GALACTOSE-atom12" elementType="O" x2="-1.3039" y2="-0.5563"/> <bond id="L-GALACTOSE-bond1" atomRefs="L-GALACTOSE-atom11 L-GALACTOSE-atom12" order="1"/> <bond id="L-GALACTOSE-bond2" atomRefs="L-GALACTOSE-atom1 L-GALACTOSE-atom11" order="1"/> <bond id="L-GALACTOSE-bond3" atomRefs="L-GALACTOSE-atom2 L-GALACTOSE-atom10" order="1"/> <bond id="L-GALACTOSE-bond4" atomRefs="L-GALACTOSE-atom3 L-GALACTOSE-atom9" order="1"/> <bond id="L-GALACTOSE-bond5" atomRefs="L-GALACTOSE-atom4 L-GALACTOSE-atom8" order="1"/> <bond id="L-GALACTOSE-bond6" atomRefs="L-GALACTOSE-atom5 L-GALACTOSE-atom7" order="1"/> <bond id="L-GALACTOSE-bond7" atomRefs="L-GALACTOSE-atom4 L-GALACTOSE-atom5" order="1"/> <bond id="L-GALACTOSE-bond8" atomRefs="L-GALACTOSE-atom3 L-GALACTOSE-atom4" order="1"/> <bond id="L-GALACTOSE-bond9" atomRefs="L-GALACTOSE-atom2 L-GALACTOSE-atom3" order="1"/> <bond id="L-GALACTOSE-bond10" atomRefs="L-GALACTOSE-atom1 L-GALACTOSE-atom2" order="1"/> <bond id="L-GALACTOSE-bond11" atomRefs="L-GALACTOSE-atom6 L-GALACTOSE-atom5" order="1"/> <bond id="L-GALACTOSE-bond12" atomRefs="L-GALACTOSE-atom6 L-GALACTOSE-atom1" order="1"/> <formula concise="C 6 H 12 O 6" formalCharge="0"/> 180.157 C1(C(O)C(O)C(O)C(O1)CO)(O)
The existence of this compound in Arabidopsis thaliana was inferred from radiolabelling experiments |CITS: [9761794]|.
<atom id="N-ACETYL-L-2-AMINO-6-OXO-PIMELATE-atom1" elementType="C" x2="8.487" y2="-2.8"/> <atom id="N-ACETYL-L-2-AMINO-6-OXO-PIMELATE-atom2" elementType="O" x2="7.2745" y2="-0.7"/> <atom id="N-ACETYL-L-2-AMINO-6-OXO-PIMELATE-atom3" elementType="O" x2="1.2124" y2="-8.4"/> <atom id="N-ACETYL-L-2-AMINO-6-OXO-PIMELATE-atom4" elementType="O" x2="6.0621" y2="0.0"/> <atom id="N-ACETYL-L-2-AMINO-6-OXO-PIMELATE-atom5" elementType="O" x2="3.6372" y2="-7.0"/> <atom id="N-ACETYL-L-2-AMINO-6-OXO-PIMELATE-atom6" elementType="O" x2="0.0" y2="-6.3"/> <atom id="N-ACETYL-L-2-AMINO-6-OXO-PIMELATE-atom7" elementType="O" x2="3.6372" y2="0.0"/> <atom id="N-ACETYL-L-2-AMINO-6-OXO-PIMELATE-atom8" elementType="C" x2="3.6373" y2="-4.2"/> <atom id="N-ACETYL-L-2-AMINO-6-OXO-PIMELATE-atom9" elementType="C" x2="2.4248" y2="-4.9"/> <atom id="N-ACETYL-L-2-AMINO-6-OXO-PIMELATE-atom10" elementType="C" x2="3.6372" y2="-2.8"/> <atom id="N-ACETYL-L-2-AMINO-6-OXO-PIMELATE-atom11" elementType="N" x2="6.0621" y2="-2.8"/> <atom id="N-ACETYL-L-2-AMINO-6-OXO-PIMELATE-atom12" elementType="C" x2="7.2746" y2="-2.1"/> <atom id="N-ACETYL-L-2-AMINO-6-OXO-PIMELATE-atom13" elementType="C" x2="1.2124" y2="-7.0"/> <atom id="N-ACETYL-L-2-AMINO-6-OXO-PIMELATE-atom14" elementType="C" x2="4.8497" y2="-0.7"/> <atom id="N-ACETYL-L-2-AMINO-6-OXO-PIMELATE-atom15" elementType="C" x2="2.4248" y2="-6.3"/> <atom id="N-ACETYL-L-2-AMINO-6-OXO-PIMELATE-atom16" elementType="C" x2="4.8497" y2="-2.1"/> <bond id="N-ACETYL-L-2-AMINO-6-OXO-PIMELATE-bond1" atomRefs="N-ACETYL-L-2-AMINO-6-OXO-PIMELATE-atom14 N-ACETYL-L-2-AMINO-6-OXO-PIMELATE-atom16" order="1"/> <bond id="N-ACETYL-L-2-AMINO-6-OXO-PIMELATE-bond2" atomRefs="N-ACETYL-L-2-AMINO-6-OXO-PIMELATE-atom13 N-ACETYL-L-2-AMINO-6-OXO-PIMELATE-atom15" order="1"/> <bond id="N-ACETYL-L-2-AMINO-6-OXO-PIMELATE-bond3" atomRefs="N-ACETYL-L-2-AMINO-6-OXO-PIMELATE-atom16 N-ACETYL-L-2-AMINO-6-OXO-PIMELATE-atom11" order="1"/> <bond id="N-ACETYL-L-2-AMINO-6-OXO-PIMELATE-bond4" atomRefs="N-ACETYL-L-2-AMINO-6-OXO-PIMELATE-atom11 N-ACETYL-L-2-AMINO-6-OXO-PIMELATE-atom12" order="1"/> <bond id="N-ACETYL-L-2-AMINO-6-OXO-PIMELATE-bond5" atomRefs="N-ACETYL-L-2-AMINO-6-OXO-PIMELATE-atom10 N-ACETYL-L-2-AMINO-6-OXO-PIMELATE-atom16" order="1"/> <bond id="N-ACETYL-L-2-AMINO-6-OXO-PIMELATE-bond6" atomRefs="N-ACETYL-L-2-AMINO-6-OXO-PIMELATE-atom9 N-ACETYL-L-2-AMINO-6-OXO-PIMELATE-atom15" order="1"/> <bond id="N-ACETYL-L-2-AMINO-6-OXO-PIMELATE-bond7" atomRefs="N-ACETYL-L-2-AMINO-6-OXO-PIMELATE-atom8 N-ACETYL-L-2-AMINO-6-OXO-PIMELATE-atom10" order="1"/> <bond id="N-ACETYL-L-2-AMINO-6-OXO-PIMELATE-bond8" atomRefs="N-ACETYL-L-2-AMINO-6-OXO-PIMELATE-atom8 N-ACETYL-L-2-AMINO-6-OXO-PIMELATE-atom9" order="1"/> <bond id="N-ACETYL-L-2-AMINO-6-OXO-PIMELATE-bond9" atomRefs="N-ACETYL-L-2-AMINO-6-OXO-PIMELATE-atom7 N-ACETYL-L-2-AMINO-6-OXO-PIMELATE-atom14" order="1"/> <bond id="N-ACETYL-L-2-AMINO-6-OXO-PIMELATE-bond10" atomRefs="N-ACETYL-L-2-AMINO-6-OXO-PIMELATE-atom6 N-ACETYL-L-2-AMINO-6-OXO-PIMELATE-atom13" order="1"/> <bond id="N-ACETYL-L-2-AMINO-6-OXO-PIMELATE-bond11" atomRefs="N-ACETYL-L-2-AMINO-6-OXO-PIMELATE-atom5 N-ACETYL-L-2-AMINO-6-OXO-PIMELATE-atom15" order="2"/> <bond id="N-ACETYL-L-2-AMINO-6-OXO-PIMELATE-bond12" atomRefs="N-ACETYL-L-2-AMINO-6-OXO-PIMELATE-atom4 N-ACETYL-L-2-AMINO-6-OXO-PIMELATE-atom14" order="2"/> <bond id="N-ACETYL-L-2-AMINO-6-OXO-PIMELATE-bond13" atomRefs="N-ACETYL-L-2-AMINO-6-OXO-PIMELATE-atom3 N-ACETYL-L-2-AMINO-6-OXO-PIMELATE-atom13" order="2"/> <bond id="N-ACETYL-L-2-AMINO-6-OXO-PIMELATE-bond14" atomRefs="N-ACETYL-L-2-AMINO-6-OXO-PIMELATE-atom2 N-ACETYL-L-2-AMINO-6-OXO-PIMELATE-atom12" order="2"/> <bond id="N-ACETYL-L-2-AMINO-6-OXO-PIMELATE-bond15" atomRefs="N-ACETYL-L-2-AMINO-6-OXO-PIMELATE-atom1 N-ACETYL-L-2-AMINO-6-OXO-PIMELATE-atom12" order="1"/> <formula concise="C 9 H 13 N 1 O 6" formalCharge="0"/> 231.205 CC(=O)NC(C(O)=O)CCCC(=O)C(O)=O
<atom id="DTDP-RHAMNOSE-atom1" elementType="H" x2="13.1547" y2="-9.4737"/> <atom id="DTDP-RHAMNOSE-atom2" elementType="C" x2="17.9563" y2="-9.4453"/> <atom id="DTDP-RHAMNOSE-atom3" elementType="C" x2="0.0" y2="-4.1261"/> <atom id="DTDP-RHAMNOSE-atom4" elementType="O" x2="15.5431" y2="-10.7949"/> <atom id="DTDP-RHAMNOSE-atom5" elementType="O" x2="13.156" y2="-6.6688"/> <atom id="DTDP-RHAMNOSE-atom6" elementType="O" x2="8.8744" y2="-5.5009"/> <atom id="DTDP-RHAMNOSE-atom7" elementType="O" x2="6.1239" y2="-5.5009"/> <atom id="DTDP-RHAMNOSE-atom8" elementType="O" x2="12.1957" y2="-2.1795"/> <atom id="DTDP-RHAMNOSE-atom9" elementType="O" x2="0.0" y2="-1.3496"/> <atom id="DTDP-RHAMNOSE-atom10" elementType="O" x2="2.3611" y2="0.0"/> <atom id="DTDP-RHAMNOSE-atom11" elementType="O" x2="4.7483" y2="-1.3496"/> <atom id="DTDP-RHAMNOSE-atom12" elementType="O" x2="8.8744" y2="-2.7504"/> <atom id="DTDP-RHAMNOSE-atom13" elementType="O" x2="6.1239" y2="-2.7504"/> <atom id="DTDP-RHAMNOSE-atom14" elementType="C" x2="16.7632" y2="-7.3432"/> <atom id="DTDP-RHAMNOSE-atom15" elementType="C" x2="11.2876" y2="-5.0342"/> <atom id="DTDP-RHAMNOSE-atom16" elementType="C" x2="14.4012" y2="-3.2953"/> <atom id="DTDP-RHAMNOSE-atom17" elementType="O" x2="10.2761" y2="-4.1261"/> <atom id="DTDP-RHAMNOSE-atom18" elementType="O" x2="2.3611" y2="-4.1261"/> <atom id="DTDP-RHAMNOSE-atom19" elementType="O" x2="13.7008" y2="-5.3975"/> <atom id="DTDP-RHAMNOSE-atom20" elementType="O" x2="4.7483" y2="-4.1261"/> <atom id="DTDP-RHAMNOSE-atom21" elementType="O" x2="7.4996" y2="-4.1261"/> <atom id="DTDP-RHAMNOSE-atom22" elementType="C" x2="16.7632" y2="-8.7449"/> <atom id="DTDP-RHAMNOSE-atom23" elementType="C" x2="15.5431" y2="-9.4192"/> <atom id="DTDP-RHAMNOSE-atom24" elementType="C" x2="14.3499" y2="-7.3432"/> <atom id="DTDP-RHAMNOSE-atom25" elementType="C" x2="1.168" y2="-3.4257"/> <atom id="DTDP-RHAMNOSE-atom26" elementType="C" x2="13.0265" y2="-3.2953"/> <atom id="DTDP-RHAMNOSE-atom27" elementType="C" x2="1.168" y2="-2.05"/> <atom id="DTDP-RHAMNOSE-atom28" elementType="C" x2="2.3611" y2="-1.3496"/> <atom id="DTDP-RHAMNOSE-atom29" elementType="C" x2="3.5551" y2="-2.05"/> <atom id="DTDP-RHAMNOSE-atom30" elementType="C" x2="12.5851" y2="-4.5927"/> <atom id="DTDP-RHAMNOSE-atom31" elementType="C" x2="14.8166" y2="-4.5927"/> <atom id="DTDP-RHAMNOSE-atom32" elementType="C" x2="3.5551" y2="-3.4257"/> <atom id="DTDP-RHAMNOSE-atom33" elementType="N" x2="14.3499" y2="-8.7449"/> <atom id="DTDP-RHAMNOSE-atom34" elementType="N" x2="15.5431" y2="-6.6427"/> <atom id="DTDP-RHAMNOSE-atom35" elementType="P" x2="8.8744" y2="-4.1261"/> <atom id="DTDP-RHAMNOSE-atom36" elementType="P" x2="6.1239" y2="-4.1261"/> <bond id="DTDP-RHAMNOSE-bond1" atomRefs="DTDP-RHAMNOSE-atom31 DTDP-RHAMNOSE-atom34" order="1"/> <bond id="DTDP-RHAMNOSE-bond2" atomRefs="DTDP-RHAMNOSE-atom29 DTDP-RHAMNOSE-atom32" order="1"/> <bond id="DTDP-RHAMNOSE-bond3" atomRefs="DTDP-RHAMNOSE-atom28 DTDP-RHAMNOSE-atom29" order="1"/> <bond id="DTDP-RHAMNOSE-bond4" atomRefs="DTDP-RHAMNOSE-atom27 DTDP-RHAMNOSE-atom28" order="1"/> <bond id="DTDP-RHAMNOSE-bond5" atomRefs="DTDP-RHAMNOSE-atom26 DTDP-RHAMNOSE-atom30" order="1"/> <bond id="DTDP-RHAMNOSE-bond6" atomRefs="DTDP-RHAMNOSE-atom25 DTDP-RHAMNOSE-atom27" order="1"/> <bond id="DTDP-RHAMNOSE-bond7" atomRefs="DTDP-RHAMNOSE-atom24 DTDP-RHAMNOSE-atom34" order="A"/> <bond id="DTDP-RHAMNOSE-bond8" atomRefs="DTDP-RHAMNOSE-atom33 DTDP-RHAMNOSE-atom24" order="A"/> <bond id="DTDP-RHAMNOSE-bond9" atomRefs="DTDP-RHAMNOSE-atom23 DTDP-RHAMNOSE-atom33" order="A"/> <bond id="DTDP-RHAMNOSE-bond10" atomRefs="DTDP-RHAMNOSE-atom22 DTDP-RHAMNOSE-atom23" order="A"/> <bond id="DTDP-RHAMNOSE-bond11" atomRefs="DTDP-RHAMNOSE-atom21 DTDP-RHAMNOSE-atom36" order="1"/> <bond id="DTDP-RHAMNOSE-bond12" atomRefs="DTDP-RHAMNOSE-atom21 DTDP-RHAMNOSE-atom35" order="1"/> <bond id="DTDP-RHAMNOSE-bond13" atomRefs="DTDP-RHAMNOSE-atom20 DTDP-RHAMNOSE-atom36" order="1"/> <bond id="DTDP-RHAMNOSE-bond14" atomRefs="DTDP-RHAMNOSE-atom32 DTDP-RHAMNOSE-atom20" order="1"/> <bond id="DTDP-RHAMNOSE-bond15" atomRefs="DTDP-RHAMNOSE-atom19 DTDP-RHAMNOSE-atom31" order="1"/> <bond id="DTDP-RHAMNOSE-bond16" atomRefs="DTDP-RHAMNOSE-atom19 DTDP-RHAMNOSE-atom30" order="1"/> <bond id="DTDP-RHAMNOSE-bond17" atomRefs="DTDP-RHAMNOSE-atom18 DTDP-RHAMNOSE-atom32" order="1"/> <bond id="DTDP-RHAMNOSE-bond18" atomRefs="DTDP-RHAMNOSE-atom18 DTDP-RHAMNOSE-atom25" order="1"/> <bond id="DTDP-RHAMNOSE-bond19" atomRefs="DTDP-RHAMNOSE-atom17 DTDP-RHAMNOSE-atom35" order="1"/> <bond id="DTDP-RHAMNOSE-bond20" atomRefs="DTDP-RHAMNOSE-atom16 DTDP-RHAMNOSE-atom31" order="1"/> <bond id="DTDP-RHAMNOSE-bond21" atomRefs="DTDP-RHAMNOSE-atom16 DTDP-RHAMNOSE-atom26" order="1"/> <bond id="DTDP-RHAMNOSE-bond22" atomRefs="DTDP-RHAMNOSE-atom30 DTDP-RHAMNOSE-atom15" order="1"/> <bond id="DTDP-RHAMNOSE-bond23" atomRefs="DTDP-RHAMNOSE-atom15 DTDP-RHAMNOSE-atom17" order="1"/> <bond id="DTDP-RHAMNOSE-bond24" atomRefs="DTDP-RHAMNOSE-atom34 DTDP-RHAMNOSE-atom14" order="A"/> <bond id="DTDP-RHAMNOSE-bond25" atomRefs="DTDP-RHAMNOSE-atom14 DTDP-RHAMNOSE-atom22" order="A"/> <bond id="DTDP-RHAMNOSE-bond26" atomRefs="DTDP-RHAMNOSE-atom13 DTDP-RHAMNOSE-atom36" order="1"/> <bond id="DTDP-RHAMNOSE-bond27" atomRefs="DTDP-RHAMNOSE-atom12 DTDP-RHAMNOSE-atom35" order="1"/> <bond id="DTDP-RHAMNOSE-bond28" atomRefs="DTDP-RHAMNOSE-atom29 DTDP-RHAMNOSE-atom11" order="1"/> <bond id="DTDP-RHAMNOSE-bond29" atomRefs="DTDP-RHAMNOSE-atom28 DTDP-RHAMNOSE-atom10" order="1"/> <bond id="DTDP-RHAMNOSE-bond30" atomRefs="DTDP-RHAMNOSE-atom27 DTDP-RHAMNOSE-atom9" order="1"/> <bond id="DTDP-RHAMNOSE-bond31" atomRefs="DTDP-RHAMNOSE-atom26 DTDP-RHAMNOSE-atom8" order="1"/> <bond id="DTDP-RHAMNOSE-bond32" atomRefs="DTDP-RHAMNOSE-atom7 DTDP-RHAMNOSE-atom36" order="2"/> <bond id="DTDP-RHAMNOSE-bond33" atomRefs="DTDP-RHAMNOSE-atom6 DTDP-RHAMNOSE-atom35" order="2"/> <bond id="DTDP-RHAMNOSE-bond34" atomRefs="DTDP-RHAMNOSE-atom5 DTDP-RHAMNOSE-atom24" order="2"/> <bond id="DTDP-RHAMNOSE-bond35" atomRefs="DTDP-RHAMNOSE-atom4 DTDP-RHAMNOSE-atom23" order="2"/> <bond id="DTDP-RHAMNOSE-bond36" atomRefs="DTDP-RHAMNOSE-atom25 DTDP-RHAMNOSE-atom3" order="1"/> <bond id="DTDP-RHAMNOSE-bond37" atomRefs="DTDP-RHAMNOSE-atom2 DTDP-RHAMNOSE-atom22" order="1"/> <bond id="DTDP-RHAMNOSE-bond38" atomRefs="DTDP-RHAMNOSE-atom1 DTDP-RHAMNOSE-atom33" order="1"/> <formula concise="C 16 H 26 N 2 O 15 P 2" formalCharge="0"/> 548.333 Cc1(cn(c(=O)[nH]c1=O)C2(OC(C(C2)O)COP(=O)(O)OP(=O)(O)OC3(C(O)C(O)C(O)C(O3)C)))
5-hydroxy-2-oxo-4-ureido-2,5-dihydro-1H imidazole-5-carboxylate
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y2="-6.1197"/> <atom id="5,10-methenyl-thf-atom14" elementType="C" x2="14.593" y2="-7.0919"/> <atom id="5,10-methenyl-thf-atom15" elementType="C" x2="15.1858" y2="-6.001"/> <atom id="5,10-methenyl-thf-atom16" elementType="C" x2="5.7925" y2="-0.8302"/> <atom id="5,10-methenyl-thf-atom17" elementType="C" x2="6.8128" y2="-2.7987"/> <atom id="5,10-methenyl-thf-atom18" elementType="N" x2="2.3296" y2="-0.142"/> <atom id="5,10-methenyl-thf-atom19" elementType="N" x2="4.6775" y2="-0.142"/> <atom id="5,10-methenyl-thf-atom20" elementType="N" x2="13.2887" y2="-4.9333"/> <atom id="5,10-methenyl-thf-atom21" elementType="C" x2="15.3045" y2="-8.231"/> <atom id="5,10-methenyl-thf-atom22" elementType="C" x2="15.1385" y2="-3.7477"/> <atom id="5,10-methenyl-thf-atom23" elementType="C" x2="11.913" y2="-4.2691"/> <atom id="5,10-methenyl-thf-atom24" elementType="C" x2="1.2145" y2="-0.8302"/> <atom id="5,10-methenyl-thf-atom25" elementType="C" x2="10.7025" y2="-5.0047"/> <atom id="5,10-methenyl-thf-atom26" elementType="C" x2="8.0698" y2="-4.9333"/> <atom id="5,10-methenyl-thf-atom27" elementType="C" x2="3.5392" y2="-0.8302"/> <atom id="5,10-methenyl-thf-atom28" elementType="C" x2="3.5392" y2="-2.1105"/> <atom id="5,10-methenyl-thf-atom29" elementType="C" x2="2.3296" y2="-2.7514"/> <atom id="5,10-methenyl-thf-atom30" elementType="C" x2="14.4984" y2="-4.9333"/> <atom id="5,10-methenyl-thf-atom31" elementType="C" x2="5.7925" y2="-2.1105"/> <atom id="5,10-methenyl-thf-atom32" elementType="N" x2="6.8128" y2="-4.9333"/> <atom id="5,10-methenyl-thf-atom33" elementType="N" x2="1.2145" y2="-2.1105"/> <atom id="5,10-methenyl-thf-atom34" elementType="N" x2="4.6775" y2="-2.7514" formalCharge="1"/> <bond id="5,10-methenyl-thf-bond1" atomRefs="5,10-methenyl-thf-atom31 5,10-methenyl-thf-atom34" order="1"/> <bond id="5,10-methenyl-thf-bond2" atomRefs="5,10-methenyl-thf-atom33 5,10-methenyl-thf-atom29" order="A"/> <bond id="5,10-methenyl-thf-bond3" atomRefs="5,10-methenyl-thf-atom28 5,10-methenyl-thf-atom34" order="1"/> <bond id="5,10-methenyl-thf-bond4" atomRefs="5,10-methenyl-thf-atom29 5,10-methenyl-thf-atom28" order="A"/> <bond id="5,10-methenyl-thf-bond5" atomRefs="5,10-methenyl-thf-atom28 5,10-methenyl-thf-atom27" order="A"/> <bond id="5,10-methenyl-thf-bond6" atomRefs="5,10-methenyl-thf-atom26 5,10-methenyl-thf-atom32" order="1"/> <bond id="5,10-methenyl-thf-bond7" atomRefs="5,10-methenyl-thf-atom24 5,10-methenyl-thf-atom33" order="A"/> <bond id="5,10-methenyl-thf-bond8" atomRefs="5,10-methenyl-thf-atom23 5,10-methenyl-thf-atom25" order="1"/> <bond id="5,10-methenyl-thf-bond9" atomRefs="5,10-methenyl-thf-atom22 5,10-methenyl-thf-atom30" order="1"/> <bond id="5,10-methenyl-thf-bond10" atomRefs="5,10-methenyl-thf-atom20 5,10-methenyl-thf-atom30" order="1"/> <bond id="5,10-methenyl-thf-bond11" atomRefs="5,10-methenyl-thf-atom20 5,10-methenyl-thf-atom23" order="1"/> <bond id="5,10-methenyl-thf-bond12" atomRefs="5,10-methenyl-thf-atom19 5,10-methenyl-thf-atom27" order="1"/> <bond id="5,10-methenyl-thf-bond13" atomRefs="5,10-methenyl-thf-atom27 5,10-methenyl-thf-atom18" order="A"/> <bond id="5,10-methenyl-thf-bond14" atomRefs="5,10-methenyl-thf-atom18 5,10-methenyl-thf-atom24" order="A"/> <bond id="5,10-methenyl-thf-bond15" atomRefs="5,10-methenyl-thf-atom17 5,10-methenyl-thf-atom32" order="1"/> <bond id="5,10-methenyl-thf-bond16" atomRefs="5,10-methenyl-thf-atom31 5,10-methenyl-thf-atom17" order="1"/> <bond id="5,10-methenyl-thf-bond17" atomRefs="5,10-methenyl-thf-atom16 5,10-methenyl-thf-atom31" order="1"/> <bond id="5,10-methenyl-thf-bond18" atomRefs="5,10-methenyl-thf-atom16 5,10-methenyl-thf-atom19" order="1"/> <bond id="5,10-methenyl-thf-bond19" atomRefs="5,10-methenyl-thf-atom30 5,10-methenyl-thf-atom15" order="1"/> <bond id="5,10-methenyl-thf-bond20" atomRefs="5,10-methenyl-thf-atom14 5,10-methenyl-thf-atom21" order="1"/> <bond id="5,10-methenyl-thf-bond21" atomRefs="5,10-methenyl-thf-atom14 5,10-methenyl-thf-atom15" order="1"/> <bond id="5,10-methenyl-thf-bond22" atomRefs="5,10-methenyl-thf-atom26 5,10-methenyl-thf-atom13" order="A"/> <bond id="5,10-methenyl-thf-bond23" atomRefs="5,10-methenyl-thf-atom12 5,10-methenyl-thf-atom26" order="A"/> <bond id="5,10-methenyl-thf-bond24" atomRefs="5,10-methenyl-thf-atom11 5,10-methenyl-thf-atom25" order="A"/> <bond id="5,10-methenyl-thf-bond25" atomRefs="5,10-methenyl-thf-atom13 5,10-methenyl-thf-atom11" order="A"/> <bond id="5,10-methenyl-thf-bond26" atomRefs="5,10-methenyl-thf-atom25 5,10-methenyl-thf-atom10" order="A"/> <bond id="5,10-methenyl-thf-bond27" atomRefs="5,10-methenyl-thf-atom10 5,10-methenyl-thf-atom12" order="A"/> <bond id="5,10-methenyl-thf-bond28" atomRefs="5,10-methenyl-thf-atom9 5,10-methenyl-thf-atom34" order="2"/> <bond id="5,10-methenyl-thf-bond29" atomRefs="5,10-methenyl-thf-atom9 5,10-methenyl-thf-atom32" order="1"/> <bond id="5,10-methenyl-thf-bond30" atomRefs="5,10-methenyl-thf-atom8 5,10-methenyl-thf-atom22" order="1"/> <bond id="5,10-methenyl-thf-bond31" atomRefs="5,10-methenyl-thf-atom7 5,10-methenyl-thf-atom21" order="1"/> <bond id="5,10-methenyl-thf-bond32" atomRefs="5,10-methenyl-thf-atom6 5,10-methenyl-thf-atom29" order="2"/> <bond id="5,10-methenyl-thf-bond33" atomRefs="5,10-methenyl-thf-atom5 5,10-methenyl-thf-atom23" order="2"/> <bond id="5,10-methenyl-thf-bond34" atomRefs="5,10-methenyl-thf-atom4 5,10-methenyl-thf-atom22" order="2"/> <bond id="5,10-methenyl-thf-bond35" atomRefs="5,10-methenyl-thf-atom3 5,10-methenyl-thf-atom21" order="2"/> <bond id="5,10-methenyl-thf-bond36" atomRefs="5,10-methenyl-thf-atom2 5,10-methenyl-thf-atom24" order="1"/> <bond id="5,10-methenyl-thf-bond37" atomRefs="5,10-methenyl-thf-atom1 5,10-methenyl-thf-atom33" order="1"/> <formula concise="C 20 H 22 N 7 O 6" formalCharge="0"/> 456.437 C3(C1(CN(C=[N+]1c2(c(=O)[nH]c(N)nc2N3))c4(ccc(cc4)C(=O)NC(C(O)=O)CCC(O)=O)))
<atom id="5-FORMYL-THF-atom1" elementType="H" x2="0.0" y2="-2.8332"/> <atom id="5-FORMYL-THF-atom2" elementType="H" x2="7.2126" y2="-1.4508"/> <atom id="5-FORMYL-THF-atom3" elementType="N" x2="0.0987" y2="0.0"/> <atom id="5-FORMYL-THF-atom4" elementType="O" x2="4.1133" y2="-5.5421"/> <atom id="5-FORMYL-THF-atom5" elementType="O" x2="15.2957" y2="-9.7782"/> <atom id="5-FORMYL-THF-atom6" elementType="O" x2="15.0492" y2="-2.6844"/> <atom id="5-FORMYL-THF-atom7" elementType="O" x2="12.3889" y2="-3.2266"/> <atom id="5-FORMYL-THF-atom8" elementType="O" x2="2.4142" y2="-4.2361"/> <atom id="5-FORMYL-THF-atom9" elementType="O" x2="17.3146" y2="-8.5463"/> <atom id="5-FORMYL-THF-atom10" elementType="O" x2="17.1422" y2="-3.8671"/> <atom id="5-FORMYL-THF-atom11" elementType="C" x2="4.852" y2="-4.3844"/> <atom id="5-FORMYL-THF-atom12" elementType="C" x2="9.1131" y2="-3.9654"/> <atom id="5-FORMYL-THF-atom13" elementType="C" x2="9.064" y2="-6.355"/> <atom id="5-FORMYL-THF-atom14" elementType="C" x2="10.4924" y2="-3.9654"/> <atom id="5-FORMYL-THF-atom15" elementType="C" x2="10.4924" y2="-6.355"/> <atom id="5-FORMYL-THF-atom16" elementType="C" x2="15.1966" y2="-7.3644"/> <atom id="5-FORMYL-THF-atom17" elementType="C" x2="15.8129" y2="-6.2317"/> <atom id="5-FORMYL-THF-atom18" elementType="C" x2="7.0692" y2="-2.8818"/> <atom id="5-FORMYL-THF-atom19" elementType="C" x2="6.0098" y2="-0.8379"/> <atom id="5-FORMYL-THF-atom20" elementType="N" x2="2.4142" y2="-0.1233"/> <atom id="5-FORMYL-THF-atom21" elementType="N" x2="7.0692" y2="-5.1231"/> <atom id="5-FORMYL-THF-atom22" elementType="N" x2="4.852" y2="-0.1233"/> <atom id="5-FORMYL-THF-atom23" elementType="N" x2="13.8173" y2="-5.1231"/> <atom id="5-FORMYL-THF-atom24" elementType="C" x2="15.9353" y2="-8.5463"/> <atom id="5-FORMYL-THF-atom25" elementType="C" x2="15.7629" y2="-3.8671"/> <atom id="5-FORMYL-THF-atom26" elementType="C" x2="12.3889" y2="-4.6059"/> <atom id="5-FORMYL-THF-atom27" elementType="C" x2="1.2314" y2="-0.8379"/> <atom 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5-FORMYL-THF-atom31" order="A"/> <bond id="5-FORMYL-THF-bond5" atomRefs="5-FORMYL-THF-atom31 5-FORMYL-THF-atom30" order="A"/> <bond id="5-FORMYL-THF-bond6" atomRefs="5-FORMYL-THF-atom27 5-FORMYL-THF-atom35" order="A"/> <bond id="5-FORMYL-THF-bond7" atomRefs="5-FORMYL-THF-atom26 5-FORMYL-THF-atom29" order="1"/> <bond id="5-FORMYL-THF-bond8" atomRefs="5-FORMYL-THF-atom25 5-FORMYL-THF-atom33" order="1"/> <bond id="5-FORMYL-THF-bond9" atomRefs="5-FORMYL-THF-atom23 5-FORMYL-THF-atom33" order="1"/> <bond id="5-FORMYL-THF-bond10" atomRefs="5-FORMYL-THF-atom23 5-FORMYL-THF-atom26" order="1"/> <bond id="5-FORMYL-THF-bond11" atomRefs="5-FORMYL-THF-atom22 5-FORMYL-THF-atom30" order="1"/> <bond id="5-FORMYL-THF-bond12" atomRefs="5-FORMYL-THF-atom21 5-FORMYL-THF-atom28" order="1"/> <bond id="5-FORMYL-THF-bond13" atomRefs="5-FORMYL-THF-atom30 5-FORMYL-THF-atom20" order="A"/> <bond id="5-FORMYL-THF-bond14" atomRefs="5-FORMYL-THF-atom20 5-FORMYL-THF-atom27" order="A"/> <bond id="5-FORMYL-THF-bond15" 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id="PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE-atom21" elementType="O" x2="0.6262" y2="-0.9706"/> <atom id="PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE-atom22" elementType="C" x2="1.6908" y2="-1.4508"/> <bond id="PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE-bond1" atomRefs="PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE-atom1 PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE-atom14" order="1"/> <bond id="PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE-bond2" atomRefs="PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE-atom2 PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE-atom9" order="1"/> <bond id="PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE-bond3" atomRefs="PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE-atom3 PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE-atom16" order="1"/> <bond id="PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE-bond4" atomRefs="PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE-atom4 PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE-atom12" order="1"/> <bond id="PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE-bond5" atomRefs="PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE-atom5 PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE-atom10" order="1"/> <bond id="PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE-bond6" atomRefs="PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE-atom6 PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE-atom14" order="2"/> <bond id="PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE-bond7" atomRefs="PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE-atom17 PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE-atom7" order="A"/> <bond id="PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE-bond8" atomRefs="PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE-atom7 PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE-atom8" order="A"/> <bond id="PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE-bond9" atomRefs="PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE-atom9 PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE-atom4" order="1"/> <bond id="PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE-bond10" atomRefs="PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE-atom11 PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE-atom2" order="1"/> <bond id="PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE-bond11" atomRefs="PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE-atom12 PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE-atom21" order="1"/> <bond id="PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE-bond12" atomRefs="PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE-atom12 PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE-atom16" order="1"/> <bond id="PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE-bond13" atomRefs="PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE-atom13 PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE-atom2" order="1"/> <bond id="PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE-bond14" atomRefs="PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE-atom14 PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE-atom18" order="1"/> <bond id="PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE-bond15" atomRefs="PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE-atom15 PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE-atom2" order="2"/> <bond id="PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE-bond16" atomRefs="PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE-atom16 PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE-atom10" order="1"/> <bond id="PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE-bond17" atomRefs="PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE-atom19 PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE-atom17" order="A"/> <bond id="PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE-bond18" atomRefs="PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE-atom8 PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE-atom18" order="A"/> <bond id="PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE-bond19" atomRefs="PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE-atom18 PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE-atom19" order="A"/> <bond id="PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE-bond20" atomRefs="PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE-atom20 PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE-atom19" order="1"/> <bond id="PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE-bond21" atomRefs="PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE-atom21 PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE-atom22" order="1"/> <bond id="PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE-bond22" atomRefs="PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE-atom22 PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE-atom17" order="1"/> <bond id="PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE-bond23" atomRefs="PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE-atom22 PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE-atom10" order="1"/> <formula concise="C 9 H 14 N 3 O 9 P 1" formalCharge="0"/> 339.198 C(OP(O)(O)=O)C1(OC(C(O)C(O)1)n2(c(N)c(C(O)=O)nc2))
1-(5'-phosphoribosyl)-5-amino-4-imidazole carboxylate
<atom id="PHYTOENE-atom1" elementType="C" x2="-2.0619" y2="-0.9885"/> <atom id="PHYTOENE-atom2" elementType="C" x2="-1.3387" y2="-2.2209"/> <atom id="PHYTOENE-atom3" elementType="C" x2="20.0891" y2="-1.2438"/> <atom id="PHYTOENE-atom4" elementType="C" x2="19.3658" y2="-0.0114"/> <atom id="PHYTOENE-atom5" elementType="C" x2="7.2348" y2="-2.1601"/> <atom id="PHYTOENE-atom6" elementType="C" x2="10.7924" y2="-0.0723"/> <atom id="PHYTOENE-atom7" elementType="C" x2="4.377" y2="-2.1803"/> <atom id="PHYTOENE-atom8" elementType="C" x2="1.5191" y2="-2.2006"/> <atom id="PHYTOENE-atom9" elementType="C" x2="13.6502" y2="-0.052"/> <atom id="PHYTOENE-atom10" elementType="C" x2="16.508" y2="-0.0317"/> <atom id="PHYTOENE-atom11" elementType="C" x2="8.6578" y2="-1.3249"/> <atom id="PHYTOENE-atom12" elementType="C" x2="9.3694" y2="-0.9074"/> <atom id="PHYTOENE-atom13" elementType="C" x2="5.8" y2="-1.3452"/> <atom id="PHYTOENE-atom14" elementType="C" x2="12.2272" y2="-0.8871"/> <atom id="PHYTOENE-atom15" elementType="C" x2="2.9422" y2="-1.3655"/> <atom id="PHYTOENE-atom16" elementType="C" x2="7.9404" y2="-0.9175"/> <atom id="PHYTOENE-atom17" elementType="C" x2="10.0867" y2="-1.3148"/> <atom id="PHYTOENE-atom18" elementType="C" x2="6.5115" y2="-0.9277"/> <atom id="PHYTOENE-atom19" elementType="C" x2="5.0826" y2="-0.9378"/> <atom id="PHYTOENE-atom20" elementType="C" x2="11.5156" y2="-1.3047"/> <atom id="PHYTOENE-atom21" elementType="C" x2="3.6537" y2="-0.9479"/> <atom id="PHYTOENE-atom22" elementType="C" x2="2.2248" y2="-0.9581"/> <atom id="PHYTOENE-atom23" elementType="C" x2="12.9445" y2="-1.2945"/> <atom id="PHYTOENE-atom24" elementType="C" x2="-0.633" y2="-0.9784"/> <atom id="PHYTOENE-atom25" elementType="C" x2="18.6602" y2="-1.254"/> <atom id="PHYTOENE-atom26" elementType="C" x2="15.8024" y2="-1.2743"/> <atom id="PHYTOENE-atom27" elementType="C" x2="0.0844" y2="-1.3858"/> <atom id="PHYTOENE-atom28" elementType="C" x2="17.9428" y2="-0.8466"/> <atom id="PHYTOENE-atom29" elementType="C" x2="15.085" y2="-0.8668"/> <atom id="PHYTOENE-atom30" elementType="C" x2="0.7959" y2="-0.9682"/> <atom id="PHYTOENE-atom31" elementType="C" x2="14.3734" y2="-1.2844"/> <atom id="PHYTOENE-atom32" elementType="C" x2="17.2313" y2="-1.2641"/> <atom id="PHYTOENE-atom33" elementType="C" x2="-1.3445" y2="-1.3959"/> <atom id="PHYTOENE-atom34" elementType="C" x2="19.3717" y2="-0.8364"/> <atom id="PHYTOENE-atom35" elementType="C" x2="7.2289" y2="-1.3351"/> <atom id="PHYTOENE-atom36" elementType="C" x2="10.7983" y2="-0.8972"/> <atom id="PHYTOENE-atom37" elementType="C" x2="4.3711" y2="-1.3554"/> <atom id="PHYTOENE-atom38" elementType="C" x2="1.5133" y2="-1.3756"/> <atom id="PHYTOENE-atom39" elementType="C" x2="13.6561" y2="-0.877"/> <atom id="PHYTOENE-atom40" elementType="C" x2="16.5139" y2="-0.8567"/> <bond id="PHYTOENE-bond1" atomRefs="PHYTOENE-atom1 PHYTOENE-atom33" order="1"/> <bond id="PHYTOENE-bond2" atomRefs="PHYTOENE-atom2 PHYTOENE-atom33" order="1"/> <bond id="PHYTOENE-bond3" atomRefs="PHYTOENE-atom3 PHYTOENE-atom34" order="1"/> <bond id="PHYTOENE-bond4" atomRefs="PHYTOENE-atom4 PHYTOENE-atom34" order="1"/> <bond id="PHYTOENE-bond5" atomRefs="PHYTOENE-atom5 PHYTOENE-atom35" order="1"/> <bond id="PHYTOENE-bond6" atomRefs="PHYTOENE-atom6 PHYTOENE-atom36" order="1"/> <bond id="PHYTOENE-bond7" atomRefs="PHYTOENE-atom7 PHYTOENE-atom37" order="1"/> <bond id="PHYTOENE-bond8" atomRefs="PHYTOENE-atom8 PHYTOENE-atom38" order="1"/> <bond id="PHYTOENE-bond9" atomRefs="PHYTOENE-atom9 PHYTOENE-atom39" order="1"/> <bond id="PHYTOENE-bond10" atomRefs="PHYTOENE-atom10 PHYTOENE-atom40" order="1"/> <bond id="PHYTOENE-bond11" atomRefs="PHYTOENE-atom11 PHYTOENE-atom12" order="2"/> <bond id="PHYTOENE-bond12" atomRefs="PHYTOENE-atom11 PHYTOENE-atom16" order="1"/> <bond id="PHYTOENE-bond13" atomRefs="PHYTOENE-atom12 PHYTOENE-atom17" order="1"/> <bond id="PHYTOENE-bond14" atomRefs="PHYTOENE-atom13 PHYTOENE-atom18" order="1"/> <bond id="PHYTOENE-bond15" atomRefs="PHYTOENE-atom13 PHYTOENE-atom19" order="1"/> <bond id="PHYTOENE-bond16" atomRefs="PHYTOENE-atom14 PHYTOENE-atom20" order="1"/> <bond id="PHYTOENE-bond17" atomRefs="PHYTOENE-atom14 PHYTOENE-atom23" order="1"/> <bond id="PHYTOENE-bond18" atomRefs="PHYTOENE-atom15 PHYTOENE-atom21" order="1"/> <bond id="PHYTOENE-bond19" atomRefs="PHYTOENE-atom15 PHYTOENE-atom22" order="1"/> <bond id="PHYTOENE-bond20" atomRefs="PHYTOENE-atom16 PHYTOENE-atom35" order="2"/> <bond id="PHYTOENE-bond21" atomRefs="PHYTOENE-atom17 PHYTOENE-atom36" order="2"/> <bond id="PHYTOENE-bond22" atomRefs="PHYTOENE-atom18 PHYTOENE-atom35" order="1"/> <bond id="PHYTOENE-bond23" atomRefs="PHYTOENE-atom19 PHYTOENE-atom37" order="2"/> <bond id="PHYTOENE-bond24" atomRefs="PHYTOENE-atom20 PHYTOENE-atom36" order="1"/> <bond id="PHYTOENE-bond25" atomRefs="PHYTOENE-atom21 PHYTOENE-atom37" order="1"/> <bond id="PHYTOENE-bond26" atomRefs="PHYTOENE-atom22 PHYTOENE-atom38" order="2"/> <bond id="PHYTOENE-bond27" atomRefs="PHYTOENE-atom23 PHYTOENE-atom39" order="2"/> <bond id="PHYTOENE-bond28" atomRefs="PHYTOENE-atom24 PHYTOENE-atom27" order="1"/> <bond id="PHYTOENE-bond29" atomRefs="PHYTOENE-atom24 PHYTOENE-atom33" order="2"/> <bond id="PHYTOENE-bond30" atomRefs="PHYTOENE-atom25 PHYTOENE-atom28" order="1"/> <bond id="PHYTOENE-bond31" atomRefs="PHYTOENE-atom25 PHYTOENE-atom34" order="2"/> <bond id="PHYTOENE-bond32" atomRefs="PHYTOENE-atom26 PHYTOENE-atom29" order="1"/> <bond id="PHYTOENE-bond33" atomRefs="PHYTOENE-atom26 PHYTOENE-atom40" order="2"/> <bond id="PHYTOENE-bond34" atomRefs="PHYTOENE-atom27 PHYTOENE-atom30" order="1"/> <bond id="PHYTOENE-bond35" atomRefs="PHYTOENE-atom28 PHYTOENE-atom32" order="1"/> <bond id="PHYTOENE-bond36" atomRefs="PHYTOENE-atom29 PHYTOENE-atom31" order="1"/> <bond id="PHYTOENE-bond37" atomRefs="PHYTOENE-atom30 PHYTOENE-atom38" order="1"/> <bond id="PHYTOENE-bond38" atomRefs="PHYTOENE-atom31 PHYTOENE-atom39" order="1"/> <bond id="PHYTOENE-bond39" atomRefs="PHYTOENE-atom32 PHYTOENE-atom40" order="1"/> <formula concise="C 40 H 64" formalCharge="0"/> 544.946 CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CC=CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
L-glutamate γ-semialdehyde forms on spontaneous hydration of |FRAME:l-delta(1)-pyrroline_5-carboxylate| in aqueous solutions. It can be converted to or be formed from the three amino acids |FRAME:GLT| (EC 1.5.1.12), |FRAME:L-ORNITHINE| (EC 2.6.1.13) and |FRAME:PRO| (EC 1.5.99.8 and EC 1.5.1.2). It is also one of the few metabolites that can be a precursor to other metabolites of both the |FRAME:PWY-4984| and the |FRAME:TCA|.
<atom id="L-GLUTAMATE_GAMMA-SEMIALDEHYDE-atom1" elementType="C" x2="0.20525" y2="-0.30049"/> <atom id="L-GLUTAMATE_GAMMA-SEMIALDEHYDE-atom2" elementType="C" x2="0.60263" y2="-0.52709"/> <atom id="L-GLUTAMATE_GAMMA-SEMIALDEHYDE-atom3" elementType="C" x2="-0.58949" y2="-0.30049"/> <atom id="L-GLUTAMATE_GAMMA-SEMIALDEHYDE-atom4" elementType="C" x2="0.99672" y2="-0.30049"/> <atom id="L-GLUTAMATE_GAMMA-SEMIALDEHYDE-atom5" elementType="O" x2="0.99672" y2="0.17241"/> <atom id="L-GLUTAMATE_GAMMA-SEMIALDEHYDE-atom6" elementType="O" x2="-0.58949" y2="0.17241"/> <atom id="L-GLUTAMATE_GAMMA-SEMIALDEHYDE-atom7" elementType="N" x2="-0.19212" y2="-1.0"/> <atom id="L-GLUTAMATE_GAMMA-SEMIALDEHYDE-atom8" elementType="C" x2="-0.19212" y2="-0.52709"/> <atom id="L-GLUTAMATE_GAMMA-SEMIALDEHYDE-atom9" elementType="O" x2="-1.0" y2="-0.53695"/> <bond id="L-GLUTAMATE_GAMMA-SEMIALDEHYDE-bond1" atomRefs="L-GLUTAMATE_GAMMA-SEMIALDEHYDE-atom9 L-GLUTAMATE_GAMMA-SEMIALDEHYDE-atom3" order="1"/> <bond id="L-GLUTAMATE_GAMMA-SEMIALDEHYDE-bond2" atomRefs="L-GLUTAMATE_GAMMA-SEMIALDEHYDE-atom8 L-GLUTAMATE_GAMMA-SEMIALDEHYDE-atom3" order="1"/> <bond id="L-GLUTAMATE_GAMMA-SEMIALDEHYDE-bond3" atomRefs="L-GLUTAMATE_GAMMA-SEMIALDEHYDE-atom7 L-GLUTAMATE_GAMMA-SEMIALDEHYDE-atom8" order="1"/> <bond id="L-GLUTAMATE_GAMMA-SEMIALDEHYDE-bond4" atomRefs="L-GLUTAMATE_GAMMA-SEMIALDEHYDE-atom6 L-GLUTAMATE_GAMMA-SEMIALDEHYDE-atom3" order="2"/> <bond id="L-GLUTAMATE_GAMMA-SEMIALDEHYDE-bond5" atomRefs="L-GLUTAMATE_GAMMA-SEMIALDEHYDE-atom5 L-GLUTAMATE_GAMMA-SEMIALDEHYDE-atom4" order="2"/> <bond id="L-GLUTAMATE_GAMMA-SEMIALDEHYDE-bond6" atomRefs="L-GLUTAMATE_GAMMA-SEMIALDEHYDE-atom4 L-GLUTAMATE_GAMMA-SEMIALDEHYDE-atom2" order="1"/> <bond id="L-GLUTAMATE_GAMMA-SEMIALDEHYDE-bond7" atomRefs="L-GLUTAMATE_GAMMA-SEMIALDEHYDE-atom2 L-GLUTAMATE_GAMMA-SEMIALDEHYDE-atom1" order="1"/> <bond id="L-GLUTAMATE_GAMMA-SEMIALDEHYDE-bond8" atomRefs="L-GLUTAMATE_GAMMA-SEMIALDEHYDE-atom1 L-GLUTAMATE_GAMMA-SEMIALDEHYDE-atom8" order="1"/> <formula concise="C 5 H 9 N 1 O 3" formalCharge="0"/> 131.131 C(=O)(O)C(N)CCC=O
<atom id="DEOXY-RIBOSE-1P-atom1" elementType="O" x2="0.65609" y2="-0.31886"/> <atom id="DEOXY-RIBOSE-1P-atom2" elementType="O" x2="0.99666" y2="-0.65943"/> <atom id="DEOXY-RIBOSE-1P-atom3" elementType="O" x2="-1.0" y2="-0.1419"/> <atom id="DEOXY-RIBOSE-1P-atom4" elementType="P" x2="0.65609" y2="-0.65943"/> <atom id="DEOXY-RIBOSE-1P-atom5" elementType="C" x2="-0.65943" y2="-0.39232"/> <atom id="DEOXY-RIBOSE-1P-atom6" elementType="O" x2="-0.19866" y2="-0.12855"/> <atom id="DEOXY-RIBOSE-1P-atom7" elementType="C" x2="0.26544" y2="-0.39232"/> <atom id="DEOXY-RIBOSE-1P-atom8" elementType="O" x2="0.65609" y2="-1.0"/> <atom id="DEOXY-RIBOSE-1P-atom9" elementType="H" x2="0.08848" y2="-0.53923"/> <atom id="DEOXY-RIBOSE-1P-atom10" elementType="H" x2="0.26544" y2="-0.18865"/> <atom id="DEOXY-RIBOSE-1P-atom11" elementType="C" x2="-0.48247" y2="-0.7429"/> <atom id="DEOXY-RIBOSE-1P-atom12" elementType="O" x2="0.26544" y2="-0.65943"/> <atom id="DEOXY-RIBOSE-1P-atom13" elementType="C" x2="-0.65943" y2="-0.1419"/> <atom id="DEOXY-RIBOSE-1P-atom14" elementType="O" x2="-0.48247" y2="-0.94658"/> <atom id="DEOXY-RIBOSE-1P-atom15" elementType="C" x2="0.08848" y2="-0.7429"/> <atom id="DEOXY-RIBOSE-1P-atom16" elementType="H" x2="-0.48247" y2="-0.53923"/> <atom id="DEOXY-RIBOSE-1P-atom17" elementType="H" x2="-0.65943" y2="-0.59599"/> <atom id="DEOXY-RIBOSE-1P-atom18" elementType="H" x2="0.08848" y2="-0.94658"/> <bond id="DEOXY-RIBOSE-1P-bond1" atomRefs="DEOXY-RIBOSE-1P-atom18 DEOXY-RIBOSE-1P-atom15" order="1"/> <bond id="DEOXY-RIBOSE-1P-bond2" atomRefs="DEOXY-RIBOSE-1P-atom17 DEOXY-RIBOSE-1P-atom5" order="1"/> <bond id="DEOXY-RIBOSE-1P-bond3" atomRefs="DEOXY-RIBOSE-1P-atom16 DEOXY-RIBOSE-1P-atom11" order="1"/> <bond id="DEOXY-RIBOSE-1P-bond4" atomRefs="DEOXY-RIBOSE-1P-atom14 DEOXY-RIBOSE-1P-atom11" order="1"/> <bond id="DEOXY-RIBOSE-1P-bond5" atomRefs="DEOXY-RIBOSE-1P-atom13 DEOXY-RIBOSE-1P-atom5" order="1"/> <bond id="DEOXY-RIBOSE-1P-bond6" atomRefs="DEOXY-RIBOSE-1P-atom12 DEOXY-RIBOSE-1P-atom4" order="1"/> <bond id="DEOXY-RIBOSE-1P-bond7" atomRefs="DEOXY-RIBOSE-1P-atom11 DEOXY-RIBOSE-1P-atom15" order="1"/> <bond id="DEOXY-RIBOSE-1P-bond8" atomRefs="DEOXY-RIBOSE-1P-atom10 DEOXY-RIBOSE-1P-atom7" order="1"/> <bond id="DEOXY-RIBOSE-1P-bond9" atomRefs="DEOXY-RIBOSE-1P-atom9 DEOXY-RIBOSE-1P-atom15" order="1"/> <bond id="DEOXY-RIBOSE-1P-bond10" atomRefs="DEOXY-RIBOSE-1P-atom8 DEOXY-RIBOSE-1P-atom4" order="1"/> <bond id="DEOXY-RIBOSE-1P-bond11" atomRefs="DEOXY-RIBOSE-1P-atom7 DEOXY-RIBOSE-1P-atom15" order="1"/> <bond id="DEOXY-RIBOSE-1P-bond12" atomRefs="DEOXY-RIBOSE-1P-atom7 DEOXY-RIBOSE-1P-atom12" order="1"/> <bond id="DEOXY-RIBOSE-1P-bond13" atomRefs="DEOXY-RIBOSE-1P-atom6 DEOXY-RIBOSE-1P-atom7" order="1"/> <bond id="DEOXY-RIBOSE-1P-bond14" atomRefs="DEOXY-RIBOSE-1P-atom5 DEOXY-RIBOSE-1P-atom11" order="1"/> <bond id="DEOXY-RIBOSE-1P-bond15" atomRefs="DEOXY-RIBOSE-1P-atom5 DEOXY-RIBOSE-1P-atom6" order="1"/> <bond id="DEOXY-RIBOSE-1P-bond16" atomRefs="DEOXY-RIBOSE-1P-atom3 DEOXY-RIBOSE-1P-atom13" order="1"/> <bond id="DEOXY-RIBOSE-1P-bond17" atomRefs="DEOXY-RIBOSE-1P-atom2 DEOXY-RIBOSE-1P-atom4" order="1"/> <bond id="DEOXY-RIBOSE-1P-bond18" atomRefs="DEOXY-RIBOSE-1P-atom1 DEOXY-RIBOSE-1P-atom4" order="2"/> <formula concise="C 5 H 11 O 7 P 1" formalCharge="0"/> 214.111 [CH]1(O[CH](CO)[CH](O)[CH2]1)(OP(O)(O)=O)
<atom id="XANTHOSINE-atom1" elementType="O" x2="-1.0" y2="-0.352518"/> <atom id="XANTHOSINE-atom2" elementType="H" x2="-0.55755395" y2="-0.6438849"/> <atom id="XANTHOSINE-atom3" elementType="H" x2="-0.70143884" y2="-0.70863307"/> <atom id="XANTHOSINE-atom4" elementType="C" x2="-0.4352518" y2="0.6978417"/> <atom id="XANTHOSINE-atom5" elementType="C" x2="-0.19784173" y2="0.5755396"/> <atom id="XANTHOSINE-atom6" elementType="O" x2="-0.32014388" y2="-0.32014388"/> <atom id="XANTHOSINE-atom7" elementType="C" x2="-0.70143884" y2="-0.352518"/> <atom id="XANTHOSINE-atom8" elementType="O" x2="-0.9172662" y2="0.13669065"/> <atom id="XANTHOSINE-atom9" elementType="H" x2="-0.09352518" y2="-0.6438849"/> <atom id="XANTHOSINE-atom10" elementType="O" x2="-0.55755395" y2="-1.0"/> <atom id="XANTHOSINE-atom11" elementType="C" x2="0.05755396" y2="-0.4856115"/> <atom id="XANTHOSINE-atom12" elementType="H" x2="-0.42446044" y2="-0.118705034"/> <atom id="XANTHOSINE-atom13" elementType="N" x2="0.05035971" y2="0.68345326"/> <atom id="XANTHOSINE-atom14" elementType="C" x2="-0.09352518" y2="-0.8201439"/> <atom id="XANTHOSINE-atom15" elementType="C" x2="-0.19784173" y2="0.29496402"/> <atom id="XANTHOSINE-atom16" elementType="H" x2="-0.91366905" y2="0.66906476"/> <atom id="XANTHOSINE-atom17" elementType="C" x2="-0.70143884" y2="-0.528777"/> <atom id="XANTHOSINE-atom18" elementType="N" x2="0.05755396" y2="0.15827338"/> <atom id="XANTHOSINE-atom19" elementType="H" x2="0.05755396" y2="-0.6654676"/> <atom id="XANTHOSINE-atom20" elementType="C" x2="0.25179857" y2="0.42446044"/> <atom id="XANTHOSINE-atom21" elementType="N" x2="-0.67266184" y2="0.55755395"/> <atom id="XANTHOSINE-atom22" elementType="C" x2="-0.67266184" y2="0.30215827"/> <atom id="XANTHOSINE-atom23" elementType="N" x2="-0.42446044" y2="0.13669065"/> <atom id="XANTHOSINE-atom24" elementType="O" x2="-0.09352518" y2="-1.0"/> <atom id="XANTHOSINE-atom25" elementType="O" x2="-0.4352518" y2="0.99640286"/> <atom id="XANTHOSINE-atom26" elementType="C" x2="-0.55755395" y2="-0.8201439"/> <bond id="XANTHOSINE-bond1" atomRefs="XANTHOSINE-atom26 XANTHOSINE-atom14" order="1"/> <bond id="XANTHOSINE-bond2" atomRefs="XANTHOSINE-atom25 XANTHOSINE-atom4" order="2"/> <bond id="XANTHOSINE-bond3" atomRefs="XANTHOSINE-atom24 XANTHOSINE-atom14" order="1"/> <bond id="XANTHOSINE-bond4" atomRefs="XANTHOSINE-atom23 XANTHOSINE-atom22" order="A"/> <bond id="XANTHOSINE-bond5" atomRefs="XANTHOSINE-atom23 XANTHOSINE-atom12" order="1"/> <bond id="XANTHOSINE-bond6" atomRefs="XANTHOSINE-atom22 XANTHOSINE-atom21" order="A"/> <bond id="XANTHOSINE-bond7" atomRefs="XANTHOSINE-atom21 XANTHOSINE-atom4" order="A"/> <bond id="XANTHOSINE-bond8" atomRefs="XANTHOSINE-atom20 XANTHOSINE-atom13" order="A"/> <bond id="XANTHOSINE-bond9" atomRefs="XANTHOSINE-atom19 XANTHOSINE-atom11" order="1"/> <bond id="XANTHOSINE-bond10" atomRefs="XANTHOSINE-atom18 XANTHOSINE-atom20" order="A"/> <bond id="XANTHOSINE-bond11" atomRefs="XANTHOSINE-atom17 XANTHOSINE-atom26" order="1"/> <bond id="XANTHOSINE-bond12" atomRefs="XANTHOSINE-atom17 XANTHOSINE-atom6" order="1"/> <bond id="XANTHOSINE-bond13" atomRefs="XANTHOSINE-atom16 XANTHOSINE-atom21" order="1"/> <bond id="XANTHOSINE-bond14" atomRefs="XANTHOSINE-atom15 XANTHOSINE-atom23" order="A"/> <bond id="XANTHOSINE-bond15" atomRefs="XANTHOSINE-atom15 XANTHOSINE-atom18" order="A"/> <bond id="XANTHOSINE-bond16" atomRefs="XANTHOSINE-atom13 XANTHOSINE-atom5" order="A"/> <bond id="XANTHOSINE-bond17" atomRefs="XANTHOSINE-atom11 XANTHOSINE-atom14" order="1"/> <bond id="XANTHOSINE-bond18" atomRefs="XANTHOSINE-atom11 XANTHOSINE-atom18" order="1"/> <bond id="XANTHOSINE-bond19" atomRefs="XANTHOSINE-atom10 XANTHOSINE-atom26" order="1"/> <bond id="XANTHOSINE-bond20" atomRefs="XANTHOSINE-atom9 XANTHOSINE-atom14" order="1"/> <bond id="XANTHOSINE-bond21" atomRefs="XANTHOSINE-atom8 XANTHOSINE-atom22" order="2"/> <bond id="XANTHOSINE-bond22" atomRefs="XANTHOSINE-atom7 XANTHOSINE-atom17" order="1"/> <bond id="XANTHOSINE-bond23" atomRefs="XANTHOSINE-atom6 XANTHOSINE-atom11" order="1"/> <bond id="XANTHOSINE-bond24" atomRefs="XANTHOSINE-atom5 XANTHOSINE-atom15" order="A"/> <bond id="XANTHOSINE-bond25" atomRefs="XANTHOSINE-atom4 XANTHOSINE-atom5" order="A"/> <bond id="XANTHOSINE-bond26" atomRefs="XANTHOSINE-atom3 XANTHOSINE-atom17" order="1"/> <bond id="XANTHOSINE-bond27" atomRefs="XANTHOSINE-atom2 XANTHOSINE-atom26" order="1"/> <bond id="XANTHOSINE-bond28" atomRefs="XANTHOSINE-atom1 XANTHOSINE-atom7" order="1"/> <formula concise="C 10 H 12 N 4 O 6" formalCharge="0"/> 284.228 c1(c2(c([nH]c([nH]1)=O)n(cn2)[CH]3([CH](O)[CH](O)[CH](O3)CO)))(=O)
<atom id="RIBOSE-1P-atom1" elementType="O" x2="0.65609" y2="-0.31886"/> <atom id="RIBOSE-1P-atom2" elementType="O" x2="0.99666" y2="-0.65943"/> <atom id="RIBOSE-1P-atom3" elementType="C" x2="-0.65943" y2="-0.1419"/> <atom id="RIBOSE-1P-atom4" elementType="C" x2="0.26544" y2="-0.39232"/> <atom id="RIBOSE-1P-atom5" elementType="C" x2="-0.48247" y2="-0.7429"/> <atom id="RIBOSE-1P-atom6" elementType="O" x2="0.26544" y2="-0.65943"/> <atom id="RIBOSE-1P-atom7" elementType="C" x2="0.08848" y2="-0.7429"/> <atom id="RIBOSE-1P-atom8" elementType="O" x2="0.65609" y2="-1.0"/> <atom id="RIBOSE-1P-atom9" elementType="O" x2="-1.0" y2="-0.1419"/> <atom id="RIBOSE-1P-atom10" elementType="H" x2="0.26544" y2="-0.18865"/> <atom id="RIBOSE-1P-atom11" elementType="C" x2="-0.65943" y2="-0.39232"/> <atom id="RIBOSE-1P-atom12" elementType="P" x2="0.65609" y2="-0.65943"/> <atom id="RIBOSE-1P-atom13" elementType="O" x2="-0.48247" y2="-0.94658"/> <atom id="RIBOSE-1P-atom14" elementType="O" x2="0.08848" y2="-0.94658"/> <atom id="RIBOSE-1P-atom15" elementType="O" x2="-0.19866" y2="-0.12855"/> <atom id="RIBOSE-1P-atom16" elementType="H" x2="-0.48247" y2="-0.53923"/> <atom id="RIBOSE-1P-atom17" elementType="H" x2="-0.65943" y2="-0.59599"/> <atom id="RIBOSE-1P-atom18" elementType="H" x2="0.08848" y2="-0.53923"/> <bond id="RIBOSE-1P-bond1" atomRefs="RIBOSE-1P-atom18 RIBOSE-1P-atom7" order="1"/> <bond id="RIBOSE-1P-bond2" atomRefs="RIBOSE-1P-atom17 RIBOSE-1P-atom11" order="1"/> <bond id="RIBOSE-1P-bond3" atomRefs="RIBOSE-1P-atom16 RIBOSE-1P-atom5" order="1"/> <bond id="RIBOSE-1P-bond4" atomRefs="RIBOSE-1P-atom15 RIBOSE-1P-atom4" order="1"/> <bond id="RIBOSE-1P-bond5" atomRefs="RIBOSE-1P-atom14 RIBOSE-1P-atom7" order="1"/> <bond id="RIBOSE-1P-bond6" atomRefs="RIBOSE-1P-atom13 RIBOSE-1P-atom5" order="1"/> <bond id="RIBOSE-1P-bond7" atomRefs="RIBOSE-1P-atom12 RIBOSE-1P-atom6" order="1"/> <bond id="RIBOSE-1P-bond8" atomRefs="RIBOSE-1P-atom11 RIBOSE-1P-atom5" order="1"/> <bond id="RIBOSE-1P-bond9" atomRefs="RIBOSE-1P-atom11 RIBOSE-1P-atom15" order="1"/> <bond id="RIBOSE-1P-bond10" atomRefs="RIBOSE-1P-atom10 RIBOSE-1P-atom4" order="1"/> <bond id="RIBOSE-1P-bond11" atomRefs="RIBOSE-1P-atom9 RIBOSE-1P-atom3" order="1"/> <bond id="RIBOSE-1P-bond12" atomRefs="RIBOSE-1P-atom8 RIBOSE-1P-atom12" order="1"/> <bond id="RIBOSE-1P-bond13" atomRefs="RIBOSE-1P-atom6 RIBOSE-1P-atom4" order="1"/> <bond id="RIBOSE-1P-bond14" atomRefs="RIBOSE-1P-atom5 RIBOSE-1P-atom7" order="1"/> <bond id="RIBOSE-1P-bond15" atomRefs="RIBOSE-1P-atom4 RIBOSE-1P-atom7" order="1"/> <bond id="RIBOSE-1P-bond16" atomRefs="RIBOSE-1P-atom3 RIBOSE-1P-atom11" order="1"/> <bond id="RIBOSE-1P-bond17" atomRefs="RIBOSE-1P-atom2 RIBOSE-1P-atom12" order="1"/> <bond id="RIBOSE-1P-bond18" atomRefs="RIBOSE-1P-atom1 RIBOSE-1P-atom12" order="2"/> <formula concise="C 5 H 11 O 8 P 1" formalCharge="0"/> 230.111 C(O)[CH]1(O[CH](OP(O)(O)=O)[CH](O)[CH](O)1)
<atom id="XANTHINE-atom1" elementType="N" x2="-0.14100486" y2="-0.636953"/> <atom id="XANTHINE-atom2" elementType="C" x2="0.9967585" y2="0.04376013"/> <atom id="XANTHINE-atom3" elementType="C" x2="0.2706645" y2="-0.39708266"/> <atom id="XANTHINE-atom4" elementType="H" x2="0.636953" y2="0.65640193"/> <atom id="XANTHINE-atom5" elementType="H" x2="-0.14424635" y2="-1.0"/> <atom id="XANTHINE-atom6" elementType="H" x2="-1.0" y2="0.28038898"/> <atom id="XANTHINE-atom7" elementType="C" x2="-0.5559157" y2="-0.39708266"/> <atom id="XANTHINE-atom8" elementType="O" x2="-0.14100486" y2="0.79902756"/> <atom id="XANTHINE-atom9" elementType="C" x2="0.2706645" y2="0.08589952"/> <atom id="XANTHINE-atom10" elementType="C" x2="-0.14100486" y2="0.32252836"/> <atom id="XANTHINE-atom11" elementType="O" x2="-0.9675851" y2="-0.649919"/> <atom id="XANTHINE-atom12" elementType="N" x2="0.636953" y2="0.28687197"/> <atom id="XANTHINE-atom13" elementType="N" x2="-0.5559157" y2="0.08589952"/> <atom id="XANTHINE-atom14" elementType="N" x2="0.9967585" y2="-0.39708266"/> <bond id="XANTHINE-bond1" atomRefs="XANTHINE-atom14 XANTHINE-atom3" order="A"/> <bond id="XANTHINE-bond2" atomRefs="XANTHINE-atom13 XANTHINE-atom7" order="A"/> <bond id="XANTHINE-bond3" atomRefs="XANTHINE-atom12 XANTHINE-atom2" order="A"/> <bond id="XANTHINE-bond4" atomRefs="XANTHINE-atom12 XANTHINE-atom4" order="1"/> <bond id="XANTHINE-bond5" atomRefs="XANTHINE-atom11 XANTHINE-atom7" order="2"/> <bond id="XANTHINE-bond6" atomRefs="XANTHINE-atom10 XANTHINE-atom13" order="A"/> <bond id="XANTHINE-bond7" atomRefs="XANTHINE-atom9 XANTHINE-atom10" order="A"/> <bond id="XANTHINE-bond8" atomRefs="XANTHINE-atom9 XANTHINE-atom12" order="A"/> <bond id="XANTHINE-bond9" atomRefs="XANTHINE-atom8 XANTHINE-atom10" order="2"/> <bond id="XANTHINE-bond10" atomRefs="XANTHINE-atom7 XANTHINE-atom1" order="A"/> <bond id="XANTHINE-bond11" atomRefs="XANTHINE-atom6 XANTHINE-atom13" order="1"/> <bond id="XANTHINE-bond12" atomRefs="XANTHINE-atom3 XANTHINE-atom9" order="A"/> <bond id="XANTHINE-bond13" atomRefs="XANTHINE-atom2 XANTHINE-atom14" order="A"/> <bond id="XANTHINE-bond14" atomRefs="XANTHINE-atom1 XANTHINE-atom3" order="A"/> <bond id="XANTHINE-bond15" atomRefs="XANTHINE-atom1 XANTHINE-atom5" order="1"/> <formula concise="C 5 H 4 N 4 O 2" formalCharge="0"/> 152.112 c12(c([nH]cn1)c(=O)[nH]c(=O)[nH]2) 1-H-purine-2,6-dione, 3,7-dihydro(9CI)
Different sources disagree somewhat regarding the length of the side chain in this structure. According to the Merck Index, a range of side change lengths are observed, with n=7,8,9 being the most common number of repeated units.
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elementType="C" x2="40.0092" y2="-4.2"/> <atom id="REDUCED-MENAQUINONE-atom26" elementType="C" x2="35.1596" y2="-4.2"/> <atom id="REDUCED-MENAQUINONE-atom27" elementType="C" x2="30.31" y2="-4.2"/> <atom id="REDUCED-MENAQUINONE-atom28" elementType="C" x2="25.4604" y2="-4.2"/> <atom id="REDUCED-MENAQUINONE-atom29" elementType="C" x2="20.6108" y2="-4.2"/> <atom id="REDUCED-MENAQUINONE-atom30" elementType="C" x2="15.7611" y2="-4.2"/> <atom id="REDUCED-MENAQUINONE-atom31" elementType="C" x2="10.9116" y2="-4.2"/> <atom id="REDUCED-MENAQUINONE-atom32" elementType="C" x2="6.0619" y2="-4.2"/> <atom id="REDUCED-MENAQUINONE-atom33" elementType="C" x2="38.7968" y2="-3.4998"/> <atom id="REDUCED-MENAQUINONE-atom34" elementType="C" x2="33.9471" y2="-3.4998"/> <atom id="REDUCED-MENAQUINONE-atom35" elementType="C" x2="29.0976" y2="-3.4998"/> <atom id="REDUCED-MENAQUINONE-atom36" elementType="C" x2="24.2479" y2="-3.4998"/> <atom id="REDUCED-MENAQUINONE-atom37" elementType="C" x2="19.3984" y2="-3.4998"/> 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elementType="C" x2="2.4248" y2="-2.0999"/> <atom id="REDUCED-MENAQUINONE-atom51" elementType="C" x2="2.4248" y2="-3.4998"/> <atom id="REDUCED-MENAQUINONE-atom52" elementType="C" x2="3.6373" y2="-1.3999"/> <atom id="REDUCED-MENAQUINONE-atom53" elementType="C" x2="3.6373" y2="-4.2"/> <bond id="REDUCED-MENAQUINONE-bond1" atomRefs="REDUCED-MENAQUINONE-atom51 REDUCED-MENAQUINONE-atom53" order="1"/> <bond id="REDUCED-MENAQUINONE-bond2" atomRefs="REDUCED-MENAQUINONE-atom50 REDUCED-MENAQUINONE-atom52" order="1"/> <bond id="REDUCED-MENAQUINONE-bond3" atomRefs="REDUCED-MENAQUINONE-atom51 REDUCED-MENAQUINONE-atom50" order="A"/> <bond id="REDUCED-MENAQUINONE-bond4" atomRefs="REDUCED-MENAQUINONE-atom49 REDUCED-MENAQUINONE-atom53" order="1"/> <bond id="REDUCED-MENAQUINONE-bond5" atomRefs="REDUCED-MENAQUINONE-atom48 REDUCED-MENAQUINONE-atom52" order="1"/> <bond id="REDUCED-MENAQUINONE-bond6" atomRefs="REDUCED-MENAQUINONE-atom48 REDUCED-MENAQUINONE-atom49" order="2"/> <bond id="REDUCED-MENAQUINONE-bond7" atomRefs="REDUCED-MENAQUINONE-atom39 REDUCED-MENAQUINONE-atom47" order="1"/> <bond id="REDUCED-MENAQUINONE-bond8" atomRefs="REDUCED-MENAQUINONE-atom38 REDUCED-MENAQUINONE-atom46" order="1"/> <bond id="REDUCED-MENAQUINONE-bond9" atomRefs="REDUCED-MENAQUINONE-atom37 REDUCED-MENAQUINONE-atom45" order="1"/> <bond id="REDUCED-MENAQUINONE-bond10" atomRefs="REDUCED-MENAQUINONE-atom36 REDUCED-MENAQUINONE-atom44" order="1"/> <bond id="REDUCED-MENAQUINONE-bond11" atomRefs="REDUCED-MENAQUINONE-atom35 REDUCED-MENAQUINONE-atom43" order="1"/> <bond id="REDUCED-MENAQUINONE-bond12" atomRefs="REDUCED-MENAQUINONE-atom34 REDUCED-MENAQUINONE-atom42" order="1"/> <bond id="REDUCED-MENAQUINONE-bond13" atomRefs="REDUCED-MENAQUINONE-atom33 REDUCED-MENAQUINONE-atom41" order="1"/> <bond id="REDUCED-MENAQUINONE-bond14" atomRefs="REDUCED-MENAQUINONE-atom32 REDUCED-MENAQUINONE-atom49" order="1"/> <bond id="REDUCED-MENAQUINONE-bond15" atomRefs="REDUCED-MENAQUINONE-atom31 REDUCED-MENAQUINONE-atom39" order="1"/> <bond id="REDUCED-MENAQUINONE-bond16" atomRefs="REDUCED-MENAQUINONE-atom30 REDUCED-MENAQUINONE-atom38" order="1"/> <bond id="REDUCED-MENAQUINONE-bond17" atomRefs="REDUCED-MENAQUINONE-atom29 REDUCED-MENAQUINONE-atom37" order="1"/> <bond id="REDUCED-MENAQUINONE-bond18" atomRefs="REDUCED-MENAQUINONE-atom28 REDUCED-MENAQUINONE-atom36" order="1"/> <bond id="REDUCED-MENAQUINONE-bond19" atomRefs="REDUCED-MENAQUINONE-atom27 REDUCED-MENAQUINONE-atom35" order="1"/> <bond id="REDUCED-MENAQUINONE-bond20" atomRefs="REDUCED-MENAQUINONE-atom26 REDUCED-MENAQUINONE-atom34" order="1"/> <bond id="REDUCED-MENAQUINONE-bond21" atomRefs="REDUCED-MENAQUINONE-atom25 REDUCED-MENAQUINONE-atom33" order="1"/> <bond id="REDUCED-MENAQUINONE-bond22" atomRefs="REDUCED-MENAQUINONE-atom24 REDUCED-MENAQUINONE-atom51" order="A"/> <bond id="REDUCED-MENAQUINONE-bond23" atomRefs="REDUCED-MENAQUINONE-atom50 REDUCED-MENAQUINONE-atom23" order="A"/> <bond id="REDUCED-MENAQUINONE-bond24" atomRefs="REDUCED-MENAQUINONE-atom22 REDUCED-MENAQUINONE-atom24" order="A"/> <bond id="REDUCED-MENAQUINONE-bond25" atomRefs="REDUCED-MENAQUINONE-atom23 REDUCED-MENAQUINONE-atom21" order="A"/> <bond id="REDUCED-MENAQUINONE-bond26" atomRefs="REDUCED-MENAQUINONE-atom21 REDUCED-MENAQUINONE-atom22" order="A"/> <bond id="REDUCED-MENAQUINONE-bond27" atomRefs="REDUCED-MENAQUINONE-atom20 REDUCED-MENAQUINONE-atom47" order="2"/> <bond id="REDUCED-MENAQUINONE-bond28" atomRefs="REDUCED-MENAQUINONE-atom20 REDUCED-MENAQUINONE-atom32" order="1"/> <bond id="REDUCED-MENAQUINONE-bond29" atomRefs="REDUCED-MENAQUINONE-atom19 REDUCED-MENAQUINONE-atom46" order="2"/> <bond id="REDUCED-MENAQUINONE-bond30" atomRefs="REDUCED-MENAQUINONE-atom19 REDUCED-MENAQUINONE-atom31" order="1"/> <bond id="REDUCED-MENAQUINONE-bond31" atomRefs="REDUCED-MENAQUINONE-atom18 REDUCED-MENAQUINONE-atom45" order="2"/> <bond id="REDUCED-MENAQUINONE-bond32" atomRefs="REDUCED-MENAQUINONE-atom18 REDUCED-MENAQUINONE-atom30" order="1"/> <bond id="REDUCED-MENAQUINONE-bond33" atomRefs="REDUCED-MENAQUINONE-atom17 REDUCED-MENAQUINONE-atom44" order="2"/> <bond id="REDUCED-MENAQUINONE-bond34" atomRefs="REDUCED-MENAQUINONE-atom17 REDUCED-MENAQUINONE-atom29" order="1"/> <bond id="REDUCED-MENAQUINONE-bond35" atomRefs="REDUCED-MENAQUINONE-atom16 REDUCED-MENAQUINONE-atom43" order="2"/> <bond id="REDUCED-MENAQUINONE-bond36" atomRefs="REDUCED-MENAQUINONE-atom16 REDUCED-MENAQUINONE-atom28" order="1"/> <bond id="REDUCED-MENAQUINONE-bond37" atomRefs="REDUCED-MENAQUINONE-atom15 REDUCED-MENAQUINONE-atom42" order="2"/> <bond id="REDUCED-MENAQUINONE-bond38" atomRefs="REDUCED-MENAQUINONE-atom15 REDUCED-MENAQUINONE-atom27" order="1"/> <bond id="REDUCED-MENAQUINONE-bond39" atomRefs="REDUCED-MENAQUINONE-atom14 REDUCED-MENAQUINONE-atom41" order="2"/> <bond id="REDUCED-MENAQUINONE-bond40" atomRefs="REDUCED-MENAQUINONE-atom14 REDUCED-MENAQUINONE-atom26" order="1"/> <bond id="REDUCED-MENAQUINONE-bond41" atomRefs="REDUCED-MENAQUINONE-atom13 REDUCED-MENAQUINONE-atom40" order="2"/> <bond id="REDUCED-MENAQUINONE-bond42" atomRefs="REDUCED-MENAQUINONE-atom13 REDUCED-MENAQUINONE-atom25" order="1"/> <bond id="REDUCED-MENAQUINONE-bond43" atomRefs="REDUCED-MENAQUINONE-atom12 REDUCED-MENAQUINONE-atom53" order="1"/> <bond id="REDUCED-MENAQUINONE-bond44" atomRefs="REDUCED-MENAQUINONE-atom11 REDUCED-MENAQUINONE-atom52" order="1"/> <bond id="REDUCED-MENAQUINONE-bond45" atomRefs="REDUCED-MENAQUINONE-atom10 REDUCED-MENAQUINONE-atom48" order="1"/> <bond id="REDUCED-MENAQUINONE-bond46" atomRefs="REDUCED-MENAQUINONE-atom9 REDUCED-MENAQUINONE-atom47" order="1"/> <bond id="REDUCED-MENAQUINONE-bond47" atomRefs="REDUCED-MENAQUINONE-atom8 REDUCED-MENAQUINONE-atom46" order="1"/> <bond id="REDUCED-MENAQUINONE-bond48" atomRefs="REDUCED-MENAQUINONE-atom7 REDUCED-MENAQUINONE-atom45" order="1"/> <bond id="REDUCED-MENAQUINONE-bond49" atomRefs="REDUCED-MENAQUINONE-atom6 REDUCED-MENAQUINONE-atom44" order="1"/> <bond id="REDUCED-MENAQUINONE-bond50" atomRefs="REDUCED-MENAQUINONE-atom5 REDUCED-MENAQUINONE-atom43" order="1"/> <bond id="REDUCED-MENAQUINONE-bond51" atomRefs="REDUCED-MENAQUINONE-atom4 REDUCED-MENAQUINONE-atom42" order="1"/> <bond id="REDUCED-MENAQUINONE-bond52" atomRefs="REDUCED-MENAQUINONE-atom3 REDUCED-MENAQUINONE-atom41" order="1"/> <bond id="REDUCED-MENAQUINONE-bond53" atomRefs="REDUCED-MENAQUINONE-atom2 REDUCED-MENAQUINONE-atom40" order="1"/> <bond id="REDUCED-MENAQUINONE-bond54" atomRefs="REDUCED-MENAQUINONE-atom1 REDUCED-MENAQUINONE-atom40" order="1"/> <formula concise="C 51 H 76 O 2" formalCharge="0"/> 721.16 CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(C(O)c2(c(C(O)C=1C)cccc2))
Menaquinones and demethaquinones are isoprenoid quinones of the naphthalene series, and are constituents of bacterial plasma membranes, where they play important roles in electron transfer and oxidative phosphorylation. Menaquinones and demethaquinones are named MK-n or DMK-n, respectively, where the n refers to the number of prenyl units present in the side chain. The major quinones found in bacteria are MK-8 and DMK-8, although minor amounts of MK-1 thruogh MK-14 have been found |CITS: [7022156]|.
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VITAMIN_K_{2}-atom44" order="2"/> <bond id="VITAMIN_K_{2}-bond22" atomRefs="VITAMIN_K_{2}-atom17 VITAMIN_K_{2}-atom29" order="1"/> <bond id="VITAMIN_K_{2}-bond23" atomRefs="VITAMIN_K_{2}-atom17 VITAMIN_K_{2}-atom45" order="2"/> <bond id="VITAMIN_K_{2}-bond24" atomRefs="VITAMIN_K_{2}-atom18 VITAMIN_K_{2}-atom30" order="1"/> <bond id="VITAMIN_K_{2}-bond25" atomRefs="VITAMIN_K_{2}-atom18 VITAMIN_K_{2}-atom46" order="2"/> <bond id="VITAMIN_K_{2}-bond26" atomRefs="VITAMIN_K_{2}-atom19 VITAMIN_K_{2}-atom31" order="1"/> <bond id="VITAMIN_K_{2}-bond27" atomRefs="VITAMIN_K_{2}-atom19 VITAMIN_K_{2}-atom47" order="2"/> <bond id="VITAMIN_K_{2}-bond28" atomRefs="VITAMIN_K_{2}-atom21 VITAMIN_K_{2}-atom20" order="A"/> <bond id="VITAMIN_K_{2}-bond29" atomRefs="VITAMIN_K_{2}-atom20 VITAMIN_K_{2}-atom22" order="A"/> <bond id="VITAMIN_K_{2}-bond30" atomRefs="VITAMIN_K_{2}-atom23 VITAMIN_K_{2}-atom21" order="A"/> <bond id="VITAMIN_K_{2}-bond31" atomRefs="VITAMIN_K_{2}-atom22 VITAMIN_K_{2}-atom52" order="A"/> <bond id="VITAMIN_K_{2}-bond32" atomRefs="VITAMIN_K_{2}-atom53 VITAMIN_K_{2}-atom23" order="A"/> <bond id="VITAMIN_K_{2}-bond33" atomRefs="VITAMIN_K_{2}-atom24 VITAMIN_K_{2}-atom33" order="1"/> <bond id="VITAMIN_K_{2}-bond34" atomRefs="VITAMIN_K_{2}-atom25 VITAMIN_K_{2}-atom34" order="1"/> <bond id="VITAMIN_K_{2}-bond35" atomRefs="VITAMIN_K_{2}-atom26 VITAMIN_K_{2}-atom35" order="1"/> <bond id="VITAMIN_K_{2}-bond36" atomRefs="VITAMIN_K_{2}-atom27 VITAMIN_K_{2}-atom36" order="1"/> <bond id="VITAMIN_K_{2}-bond37" atomRefs="VITAMIN_K_{2}-atom28 VITAMIN_K_{2}-atom37" order="1"/> <bond id="VITAMIN_K_{2}-bond38" atomRefs="VITAMIN_K_{2}-atom29 VITAMIN_K_{2}-atom38" order="1"/> <bond id="VITAMIN_K_{2}-bond39" atomRefs="VITAMIN_K_{2}-atom30 VITAMIN_K_{2}-atom39" order="1"/> <bond id="VITAMIN_K_{2}-bond40" atomRefs="VITAMIN_K_{2}-atom31 VITAMIN_K_{2}-atom49" order="1"/> <bond id="VITAMIN_K_{2}-bond41" atomRefs="VITAMIN_K_{2}-atom32 VITAMIN_K_{2}-atom40" order="1"/> <bond id="VITAMIN_K_{2}-bond42" atomRefs="VITAMIN_K_{2}-atom33 VITAMIN_K_{2}-atom41" order="1"/> <bond id="VITAMIN_K_{2}-bond43" atomRefs="VITAMIN_K_{2}-atom34 VITAMIN_K_{2}-atom42" order="1"/> <bond id="VITAMIN_K_{2}-bond44" atomRefs="VITAMIN_K_{2}-atom35 VITAMIN_K_{2}-atom43" order="1"/> <bond id="VITAMIN_K_{2}-bond45" atomRefs="VITAMIN_K_{2}-atom36 VITAMIN_K_{2}-atom44" order="1"/> <bond id="VITAMIN_K_{2}-bond46" atomRefs="VITAMIN_K_{2}-atom37 VITAMIN_K_{2}-atom45" order="1"/> <bond id="VITAMIN_K_{2}-bond47" atomRefs="VITAMIN_K_{2}-atom38 VITAMIN_K_{2}-atom46" order="1"/> <bond id="VITAMIN_K_{2}-bond48" atomRefs="VITAMIN_K_{2}-atom39 VITAMIN_K_{2}-atom47" order="1"/> <bond id="VITAMIN_K_{2}-bond49" atomRefs="VITAMIN_K_{2}-atom48 VITAMIN_K_{2}-atom49" order="2"/> <bond id="VITAMIN_K_{2}-bond50" atomRefs="VITAMIN_K_{2}-atom48 VITAMIN_K_{2}-atom50" order="1"/> <bond id="VITAMIN_K_{2}-bond51" atomRefs="VITAMIN_K_{2}-atom49 VITAMIN_K_{2}-atom51" order="1"/> <bond id="VITAMIN_K_{2}-bond52" atomRefs="VITAMIN_K_{2}-atom50 VITAMIN_K_{2}-atom52" order="1"/> <bond id="VITAMIN_K_{2}-bond53" atomRefs="VITAMIN_K_{2}-atom51 VITAMIN_K_{2}-atom53" order="1"/> <bond id="VITAMIN_K_{2}-bond54" atomRefs="VITAMIN_K_{2}-atom52 VITAMIN_K_{2}-atom53" order="A"/> <formula concise="C 51 H 72 O 2" formalCharge="0"/> 717.129 CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(=C(C)C(=O)c2(c(C(=O)1)cccc2))
The ubiquinones are a group of lipid-soluble benzoquinones involved in electron transport. Their structures have a variable length side chain, which consists of one to twelve mono-unsaturated trans-isoprenoids units, with ten units being the most common in animals. |FRAME: ORG-5858| has 6 units, |FRAME: TAX-71421| has 7, |FRAME: TAX-83333| has 8, |FRAME: TAX-1142| has 9, |FRAME: TAX-9606| has 10, and |FRAME: TAX-1270| has an 11 unit form |CITS: [16233343]|. The terms ubiquinone/ubiquinol refer to the oxidized/reduced forms, and are often used interchangeably. The forms are readily interconvertable. Ubiquinone names are often followed by the number of the prenoid units in the side chain (e.g. Q-8). Sometimes the names are followed by a number in parenthesis, which refers to the number of carbons in the chain. Since these carbons occur in repeating units of five, the name Q-8 can also be referred to as ubiiquinone(40).
3-hydroxy-2-methylbutyryl-CoA dehydrogenase
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2-METHYL-ACETO-ACETYL-COA-atom34" order="1"/> <bond id="2-METHYL-ACETO-ACETYL-COA-bond21" atomRefs="2-METHYL-ACETO-ACETYL-COA-atom41 2-METHYL-ACETO-ACETYL-COA-atom53" order="2"/> <bond id="2-METHYL-ACETO-ACETYL-COA-bond22" atomRefs="2-METHYL-ACETO-ACETYL-COA-atom40 2-METHYL-ACETO-ACETYL-COA-atom37" order="1"/> <bond id="2-METHYL-ACETO-ACETYL-COA-bond23" atomRefs="2-METHYL-ACETO-ACETYL-COA-atom48 2-METHYL-ACETO-ACETYL-COA-atom39" order="A"/> <bond id="2-METHYL-ACETO-ACETYL-COA-bond24" atomRefs="2-METHYL-ACETO-ACETYL-COA-atom39 2-METHYL-ACETO-ACETYL-COA-atom45" order="A"/> <bond id="2-METHYL-ACETO-ACETYL-COA-bond25" atomRefs="2-METHYL-ACETO-ACETYL-COA-atom38 2-METHYL-ACETO-ACETYL-COA-atom12" order="1"/> <bond id="2-METHYL-ACETO-ACETYL-COA-bond26" atomRefs="2-METHYL-ACETO-ACETYL-COA-atom37 2-METHYL-ACETO-ACETYL-COA-atom13" order="1"/> <bond id="2-METHYL-ACETO-ACETYL-COA-bond27" atomRefs="2-METHYL-ACETO-ACETYL-COA-atom36 2-METHYL-ACETO-ACETYL-COA-atom24" order="1"/> <bond id="2-METHYL-ACETO-ACETYL-COA-bond28" atomRefs="2-METHYL-ACETO-ACETYL-COA-atom35 2-METHYL-ACETO-ACETYL-COA-atom7" order="1"/> <bond id="2-METHYL-ACETO-ACETYL-COA-bond29" atomRefs="2-METHYL-ACETO-ACETYL-COA-atom34 2-METHYL-ACETO-ACETYL-COA-atom53" order="1"/> <bond id="2-METHYL-ACETO-ACETYL-COA-bond30" atomRefs="2-METHYL-ACETO-ACETYL-COA-atom33 2-METHYL-ACETO-ACETYL-COA-atom47" order="1"/> <bond id="2-METHYL-ACETO-ACETYL-COA-bond31" atomRefs="2-METHYL-ACETO-ACETYL-COA-atom32 2-METHYL-ACETO-ACETYL-COA-atom47" order="2"/> <bond id="2-METHYL-ACETO-ACETYL-COA-bond32" atomRefs="2-METHYL-ACETO-ACETYL-COA-atom31 2-METHYL-ACETO-ACETYL-COA-atom55" order="1"/> <bond id="2-METHYL-ACETO-ACETYL-COA-bond33" atomRefs="2-METHYL-ACETO-ACETYL-COA-atom30 2-METHYL-ACETO-ACETYL-COA-atom22" order="1"/> <bond id="2-METHYL-ACETO-ACETYL-COA-bond34" atomRefs="2-METHYL-ACETO-ACETYL-COA-atom28 2-METHYL-ACETO-ACETYL-COA-atom54" order="1"/> <bond id="2-METHYL-ACETO-ACETYL-COA-bond35" atomRefs="2-METHYL-ACETO-ACETYL-COA-atom26 2-METHYL-ACETO-ACETYL-COA-atom43" order="A"/> <bond id="2-METHYL-ACETO-ACETYL-COA-bond36" atomRefs="2-METHYL-ACETO-ACETYL-COA-atom24 2-METHYL-ACETO-ACETYL-COA-atom26" order="A"/> <bond id="2-METHYL-ACETO-ACETYL-COA-bond37" atomRefs="2-METHYL-ACETO-ACETYL-COA-atom25 2-METHYL-ACETO-ACETYL-COA-atom47" order="1"/> <bond id="2-METHYL-ACETO-ACETYL-COA-bond38" atomRefs="2-METHYL-ACETO-ACETYL-COA-atom39 2-METHYL-ACETO-ACETYL-COA-atom24" order="A"/> <bond id="2-METHYL-ACETO-ACETYL-COA-bond39" atomRefs="2-METHYL-ACETO-ACETYL-COA-atom23 2-METHYL-ACETO-ACETYL-COA-atom1" order="1"/> <bond id="2-METHYL-ACETO-ACETYL-COA-bond40" atomRefs="2-METHYL-ACETO-ACETYL-COA-atom22 2-METHYL-ACETO-ACETYL-COA-atom55" order="1"/> <bond id="2-METHYL-ACETO-ACETYL-COA-bond41" atomRefs="2-METHYL-ACETO-ACETYL-COA-atom21 2-METHYL-ACETO-ACETYL-COA-atom50" order="1"/> <bond id="2-METHYL-ACETO-ACETYL-COA-bond42" atomRefs="2-METHYL-ACETO-ACETYL-COA-atom20 2-METHYL-ACETO-ACETYL-COA-atom50" order="2"/> <bond id="2-METHYL-ACETO-ACETYL-COA-bond43" atomRefs="2-METHYL-ACETO-ACETYL-COA-atom19 2-METHYL-ACETO-ACETYL-COA-atom18" order="2"/> <bond id="2-METHYL-ACETO-ACETYL-COA-bond44" atomRefs="2-METHYL-ACETO-ACETYL-COA-atom18 2-METHYL-ACETO-ACETYL-COA-atom6" order="1"/> <bond id="2-METHYL-ACETO-ACETYL-COA-bond45" atomRefs="2-METHYL-ACETO-ACETYL-COA-atom17 2-METHYL-ACETO-ACETYL-COA-atom12" order="1"/> <bond id="2-METHYL-ACETO-ACETYL-COA-bond46" atomRefs="2-METHYL-ACETO-ACETYL-COA-atom16 2-METHYL-ACETO-ACETYL-COA-atom40" order="1"/> <bond id="2-METHYL-ACETO-ACETYL-COA-bond47" atomRefs="2-METHYL-ACETO-ACETYL-COA-atom15 2-METHYL-ACETO-ACETYL-COA-atom8" order="2"/> <bond id="2-METHYL-ACETO-ACETYL-COA-bond48" atomRefs="2-METHYL-ACETO-ACETYL-COA-atom14 2-METHYL-ACETO-ACETYL-COA-atom1" order="1"/> <bond id="2-METHYL-ACETO-ACETYL-COA-bond49" atomRefs="2-METHYL-ACETO-ACETYL-COA-atom13 2-METHYL-ACETO-ACETYL-COA-atom18" order="1"/> <bond id="2-METHYL-ACETO-ACETYL-COA-bond50" atomRefs="2-METHYL-ACETO-ACETYL-COA-atom12 2-METHYL-ACETO-ACETYL-COA-atom8" order="1"/> <bond id="2-METHYL-ACETO-ACETYL-COA-bond51" atomRefs="2-METHYL-ACETO-ACETYL-COA-atom11 2-METHYL-ACETO-ACETYL-COA-atom7" order="1"/> <bond id="2-METHYL-ACETO-ACETYL-COA-bond52" atomRefs="2-METHYL-ACETO-ACETYL-COA-atom10 2-METHYL-ACETO-ACETYL-COA-atom27" order="A"/> <bond id="2-METHYL-ACETO-ACETYL-COA-bond53" atomRefs="2-METHYL-ACETO-ACETYL-COA-atom9 2-METHYL-ACETO-ACETYL-COA-atom3" order="1"/> <bond id="2-METHYL-ACETO-ACETYL-COA-bond54" atomRefs="2-METHYL-ACETO-ACETYL-COA-atom8 2-METHYL-ACETO-ACETYL-COA-atom16" order="1"/> <bond id="2-METHYL-ACETO-ACETYL-COA-bond55" atomRefs="2-METHYL-ACETO-ACETYL-COA-atom7 2-METHYL-ACETO-ACETYL-COA-atom29" order="1"/> <bond id="2-METHYL-ACETO-ACETYL-COA-bond56" atomRefs="2-METHYL-ACETO-ACETYL-COA-atom6 2-METHYL-ACETO-ACETYL-COA-atom42" order="1"/> <bond id="2-METHYL-ACETO-ACETYL-COA-bond57" atomRefs="2-METHYL-ACETO-ACETYL-COA-atom5 2-METHYL-ACETO-ACETYL-COA-atom48" order="A"/> <bond id="2-METHYL-ACETO-ACETYL-COA-bond58" atomRefs="2-METHYL-ACETO-ACETYL-COA-atom4 2-METHYL-ACETO-ACETYL-COA-atom17" order="1"/> <bond id="2-METHYL-ACETO-ACETYL-COA-bond59" atomRefs="2-METHYL-ACETO-ACETYL-COA-atom2 2-METHYL-ACETO-ACETYL-COA-atom17" order="2"/> <bond id="2-METHYL-ACETO-ACETYL-COA-bond60" atomRefs="2-METHYL-ACETO-ACETYL-COA-atom1 2-METHYL-ACETO-ACETYL-COA-atom27" order="1"/> <bond id="2-METHYL-ACETO-ACETYL-COA-bond61" atomRefs="2-METHYL-ACETO-ACETYL-COA-atom1 2-METHYL-ACETO-ACETYL-COA-atom3" order="1"/> <formula concise="C 26 H 42 N 7 O 18 P 3 S 1" formalCharge="0"/> 865.635 [CH]3(n1(c2(c(nc1)c(N)ncn2)))(O[CH]([CH]([CH](O)3)OP(O)(=O)O)COP(O)(=O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)C(C)C(C)=O) Coenzyme A, S-(2-methyl-3-oxobutanoate)
2-methyl-3-hydroxybutyryl-CoA dehydrogenase
<atom id="GUANOSINE_DIPHOSPHATE_FUCOSE-atom1" elementType="N" x2="6.027" y2="-4.3524"/> <atom id="GUANOSINE_DIPHOSPHATE_FUCOSE-atom2" elementType="O" x2="7.4491" y2="-6.822"/> <atom id="GUANOSINE_DIPHOSPHATE_FUCOSE-atom3" elementType="O" x2="5.3174" y2="-3.3077"/> <atom id="GUANOSINE_DIPHOSPHATE_FUCOSE-atom4" elementType="O" x2="3.6742" y2="-3.3077"/> <atom id="GUANOSINE_DIPHOSPHATE_FUCOSE-atom5" elementType="O" x2="7.2952" y2="-1.3264"/> <atom id="GUANOSINE_DIPHOSPHATE_FUCOSE-atom6" elementType="O" x2="5.3149" y2="-1.6653"/> <atom id="GUANOSINE_DIPHOSPHATE_FUCOSE-atom7" elementType="O" x2="3.6742" y2="-1.6653"/> <atom id="GUANOSINE_DIPHOSPHATE_FUCOSE-atom8" elementType="C" x2="9.4433" y2="-5.1707"/> <atom id="GUANOSINE_DIPHOSPHATE_FUCOSE-atom9" elementType="C" x2="6.751" y2="-3.0316"/> <atom id="GUANOSINE_DIPHOSPHATE_FUCOSE-atom10" elementType="N" x2="8.962" y2="-5.8455"/> <atom id="GUANOSINE_DIPHOSPHATE_FUCOSE-atom11" elementType="O" x2="6.1386" y2="-2.4847"/> <atom id="GUANOSINE_DIPHOSPHATE_FUCOSE-atom12" elementType="O" x2="8.1907" y2="-3.2529"/> <atom id="GUANOSINE_DIPHOSPHATE_FUCOSE-atom13" elementType="O" x2="4.4953" y2="-2.4865"/> <atom id="GUANOSINE_DIPHOSPHATE_FUCOSE-atom14" elementType="C" x2="6.7402" y2="-4.7598"/> <atom id="GUANOSINE_DIPHOSPHATE_FUCOSE-atom15" elementType="C" x2="7.4514" y2="-6.0008"/> <atom id="GUANOSINE_DIPHOSPHATE_FUCOSE-atom16" elementType="C" x2="8.1717" y2="-5.5901"/> <atom id="GUANOSINE_DIPHOSPHATE_FUCOSE-atom17" elementType="C" x2="8.1717" y2="-4.7598"/> <atom id="GUANOSINE_DIPHOSPHATE_FUCOSE-atom18" elementType="C" x2="7.531" y2="-2.7748"/> <atom id="GUANOSINE_DIPHOSPHATE_FUCOSE-atom19" elementType="C" x2="7.7802" y2="-1.9891"/> <atom id="GUANOSINE_DIPHOSPHATE_FUCOSE-atom20" elementType="C" x2="8.6059" y2="-1.9891"/> <atom id="GUANOSINE_DIPHOSPHATE_FUCOSE-atom21" elementType="C" x2="8.8598" y2="-2.7748"/> <atom id="GUANOSINE_DIPHOSPHATE_FUCOSE-atom22" elementType="N" x2="6.7402" y2="-5.5901"/> <atom id="GUANOSINE_DIPHOSPHATE_FUCOSE-atom23" elementType="N" x2="8.96" y2="-4.5116"/> <atom id="GUANOSINE_DIPHOSPHATE_FUCOSE-atom24" elementType="P" x2="5.3165" y2="-2.4865"/> <atom id="GUANOSINE_DIPHOSPHATE_FUCOSE-atom25" elementType="P" x2="3.6742" y2="-2.4865"/> <atom id="GUANOSINE_DIPHOSPHATE_FUCOSE-atom26" elementType="O" x2="9.0918" y2="-1.3215"/> <atom id="GUANOSINE_DIPHOSPHATE_FUCOSE-atom27" elementType="O" x2="2.8547" y2="-2.4838"/> <atom id="GUANOSINE_DIPHOSPHATE_FUCOSE-atom28" elementType="C" x2="2.1633" y2="-1.9867"/> <atom id="GUANOSINE_DIPHOSPHATE_FUCOSE-atom29" elementType="C" x2="0.7344" y2="-1.9867"/> <atom id="GUANOSINE_DIPHOSPHATE_FUCOSE-atom30" elementType="C" x2="0.7344" y2="-1.1617"/> <atom id="GUANOSINE_DIPHOSPHATE_FUCOSE-atom31" elementType="C" x2="1.4488" y2="-0.7492"/> <atom id="GUANOSINE_DIPHOSPHATE_FUCOSE-atom32" elementType="C" x2="2.1633" y2="-1.1617"/> <atom id="GUANOSINE_DIPHOSPHATE_FUCOSE-atom33" elementType="C" x2="0.0199" y2="-2.3992"/> <atom id="GUANOSINE_DIPHOSPHATE_FUCOSE-atom34" elementType="O" x2="1.4488" y2="-2.3992"/> <atom id="GUANOSINE_DIPHOSPHATE_FUCOSE-atom35" elementType="O" x2="0.0199" y2="-0.7492"/> <atom id="GUANOSINE_DIPHOSPHATE_FUCOSE-atom36" elementType="O" x2="1.4488" y2="0.0758"/> <atom id="GUANOSINE_DIPHOSPHATE_FUCOSE-atom37" elementType="O" x2="2.8778" y2="-0.7492"/> <atom id="GUANOSINE_DIPHOSPHATE_FUCOSE-atom38" elementType="N" x2="7.4514" y2="-4.34"/> <atom id="GUANOSINE_DIPHOSPHATE_FUCOSE-atom39" elementType="H" x2="6.0257" y2="-6.0026"/> <bond id="GUANOSINE_DIPHOSPHATE_FUCOSE-bond1" atomRefs="GUANOSINE_DIPHOSPHATE_FUCOSE-atom22 GUANOSINE_DIPHOSPHATE_FUCOSE-atom39" order="1"/> <bond id="GUANOSINE_DIPHOSPHATE_FUCOSE-bond2" atomRefs="GUANOSINE_DIPHOSPHATE_FUCOSE-atom32 GUANOSINE_DIPHOSPHATE_FUCOSE-atom37" order="1"/> <bond id="GUANOSINE_DIPHOSPHATE_FUCOSE-bond3" atomRefs="GUANOSINE_DIPHOSPHATE_FUCOSE-atom31 GUANOSINE_DIPHOSPHATE_FUCOSE-atom36" order="1"/> <bond id="GUANOSINE_DIPHOSPHATE_FUCOSE-bond4" atomRefs="GUANOSINE_DIPHOSPHATE_FUCOSE-atom30 GUANOSINE_DIPHOSPHATE_FUCOSE-atom35" order="1"/> <bond id="GUANOSINE_DIPHOSPHATE_FUCOSE-bond5" atomRefs="GUANOSINE_DIPHOSPHATE_FUCOSE-atom29 GUANOSINE_DIPHOSPHATE_FUCOSE-atom33" order="1"/> <bond id="GUANOSINE_DIPHOSPHATE_FUCOSE-bond6" atomRefs="GUANOSINE_DIPHOSPHATE_FUCOSE-atom31 GUANOSINE_DIPHOSPHATE_FUCOSE-atom32" order="1"/> <bond id="GUANOSINE_DIPHOSPHATE_FUCOSE-bond7" atomRefs="GUANOSINE_DIPHOSPHATE_FUCOSE-atom30 GUANOSINE_DIPHOSPHATE_FUCOSE-atom31" order="1"/> <bond id="GUANOSINE_DIPHOSPHATE_FUCOSE-bond8" atomRefs="GUANOSINE_DIPHOSPHATE_FUCOSE-atom29 GUANOSINE_DIPHOSPHATE_FUCOSE-atom30" order="1"/> <bond id="GUANOSINE_DIPHOSPHATE_FUCOSE-bond9" atomRefs="GUANOSINE_DIPHOSPHATE_FUCOSE-atom34 GUANOSINE_DIPHOSPHATE_FUCOSE-atom29" order="1"/> <bond id="GUANOSINE_DIPHOSPHATE_FUCOSE-bond10" atomRefs="GUANOSINE_DIPHOSPHATE_FUCOSE-atom34 GUANOSINE_DIPHOSPHATE_FUCOSE-atom28" order="1"/> <bond id="GUANOSINE_DIPHOSPHATE_FUCOSE-bond11" atomRefs="GUANOSINE_DIPHOSPHATE_FUCOSE-atom32 GUANOSINE_DIPHOSPHATE_FUCOSE-atom28" order="1"/> <bond id="GUANOSINE_DIPHOSPHATE_FUCOSE-bond12" atomRefs="GUANOSINE_DIPHOSPHATE_FUCOSE-atom28 GUANOSINE_DIPHOSPHATE_FUCOSE-atom27" order="1"/> <bond id="GUANOSINE_DIPHOSPHATE_FUCOSE-bond13" atomRefs="GUANOSINE_DIPHOSPHATE_FUCOSE-atom20 GUANOSINE_DIPHOSPHATE_FUCOSE-atom26" order="1"/> <bond id="GUANOSINE_DIPHOSPHATE_FUCOSE-bond14" atomRefs="GUANOSINE_DIPHOSPHATE_FUCOSE-atom1 GUANOSINE_DIPHOSPHATE_FUCOSE-atom14" order="1"/> <bond id="GUANOSINE_DIPHOSPHATE_FUCOSE-bond15" atomRefs="GUANOSINE_DIPHOSPHATE_FUCOSE-atom2 GUANOSINE_DIPHOSPHATE_FUCOSE-atom15" order="2"/> <bond id="GUANOSINE_DIPHOSPHATE_FUCOSE-bond16" atomRefs="GUANOSINE_DIPHOSPHATE_FUCOSE-atom3 GUANOSINE_DIPHOSPHATE_FUCOSE-atom24" order="2"/> <bond id="GUANOSINE_DIPHOSPHATE_FUCOSE-bond17" atomRefs="GUANOSINE_DIPHOSPHATE_FUCOSE-atom4 GUANOSINE_DIPHOSPHATE_FUCOSE-atom25" order="2"/> <bond id="GUANOSINE_DIPHOSPHATE_FUCOSE-bond18" atomRefs="GUANOSINE_DIPHOSPHATE_FUCOSE-atom19 GUANOSINE_DIPHOSPHATE_FUCOSE-atom5" order="1"/> <bond id="GUANOSINE_DIPHOSPHATE_FUCOSE-bond19" atomRefs="GUANOSINE_DIPHOSPHATE_FUCOSE-atom6 GUANOSINE_DIPHOSPHATE_FUCOSE-atom24" order="1"/> <bond id="GUANOSINE_DIPHOSPHATE_FUCOSE-bond20" atomRefs="GUANOSINE_DIPHOSPHATE_FUCOSE-atom7 GUANOSINE_DIPHOSPHATE_FUCOSE-atom25" order="1"/> <bond id="GUANOSINE_DIPHOSPHATE_FUCOSE-bond21" atomRefs="GUANOSINE_DIPHOSPHATE_FUCOSE-atom8 GUANOSINE_DIPHOSPHATE_FUCOSE-atom10" order="A"/> <bond id="GUANOSINE_DIPHOSPHATE_FUCOSE-bond22" atomRefs="GUANOSINE_DIPHOSPHATE_FUCOSE-atom23 GUANOSINE_DIPHOSPHATE_FUCOSE-atom8" order="A"/> <bond id="GUANOSINE_DIPHOSPHATE_FUCOSE-bond23" atomRefs="GUANOSINE_DIPHOSPHATE_FUCOSE-atom9 GUANOSINE_DIPHOSPHATE_FUCOSE-atom11" order="1"/> <bond id="GUANOSINE_DIPHOSPHATE_FUCOSE-bond24" atomRefs="GUANOSINE_DIPHOSPHATE_FUCOSE-atom18 GUANOSINE_DIPHOSPHATE_FUCOSE-atom9" order="1"/> <bond id="GUANOSINE_DIPHOSPHATE_FUCOSE-bond25" atomRefs="GUANOSINE_DIPHOSPHATE_FUCOSE-atom10 GUANOSINE_DIPHOSPHATE_FUCOSE-atom16" order="A"/> <bond id="GUANOSINE_DIPHOSPHATE_FUCOSE-bond26" atomRefs="GUANOSINE_DIPHOSPHATE_FUCOSE-atom14 GUANOSINE_DIPHOSPHATE_FUCOSE-atom38" order="A"/> <bond id="GUANOSINE_DIPHOSPHATE_FUCOSE-bond27" atomRefs="GUANOSINE_DIPHOSPHATE_FUCOSE-atom38 GUANOSINE_DIPHOSPHATE_FUCOSE-atom17" order="A"/> <bond id="GUANOSINE_DIPHOSPHATE_FUCOSE-bond28" atomRefs="GUANOSINE_DIPHOSPHATE_FUCOSE-atom11 GUANOSINE_DIPHOSPHATE_FUCOSE-atom24" order="1"/> <bond id="GUANOSINE_DIPHOSPHATE_FUCOSE-bond29" atomRefs="GUANOSINE_DIPHOSPHATE_FUCOSE-atom12 GUANOSINE_DIPHOSPHATE_FUCOSE-atom18" order="1"/> <bond id="GUANOSINE_DIPHOSPHATE_FUCOSE-bond30" atomRefs="GUANOSINE_DIPHOSPHATE_FUCOSE-atom12 GUANOSINE_DIPHOSPHATE_FUCOSE-atom21" order="1"/> <bond id="GUANOSINE_DIPHOSPHATE_FUCOSE-bond31" atomRefs="GUANOSINE_DIPHOSPHATE_FUCOSE-atom27 GUANOSINE_DIPHOSPHATE_FUCOSE-atom25" order="1"/> <bond id="GUANOSINE_DIPHOSPHATE_FUCOSE-bond32" atomRefs="GUANOSINE_DIPHOSPHATE_FUCOSE-atom13 GUANOSINE_DIPHOSPHATE_FUCOSE-atom24" order="1"/> <bond id="GUANOSINE_DIPHOSPHATE_FUCOSE-bond33" atomRefs="GUANOSINE_DIPHOSPHATE_FUCOSE-atom13 GUANOSINE_DIPHOSPHATE_FUCOSE-atom25" order="1"/> <bond id="GUANOSINE_DIPHOSPHATE_FUCOSE-bond34" atomRefs="GUANOSINE_DIPHOSPHATE_FUCOSE-atom22 GUANOSINE_DIPHOSPHATE_FUCOSE-atom14" order="A"/> <bond id="GUANOSINE_DIPHOSPHATE_FUCOSE-bond35" atomRefs="GUANOSINE_DIPHOSPHATE_FUCOSE-atom16 GUANOSINE_DIPHOSPHATE_FUCOSE-atom15" order="A"/> <bond id="GUANOSINE_DIPHOSPHATE_FUCOSE-bond36" atomRefs="GUANOSINE_DIPHOSPHATE_FUCOSE-atom15 GUANOSINE_DIPHOSPHATE_FUCOSE-atom22" order="A"/> <bond id="GUANOSINE_DIPHOSPHATE_FUCOSE-bond37" atomRefs="GUANOSINE_DIPHOSPHATE_FUCOSE-atom16 GUANOSINE_DIPHOSPHATE_FUCOSE-atom17" order="A"/> <bond id="GUANOSINE_DIPHOSPHATE_FUCOSE-bond38" atomRefs="GUANOSINE_DIPHOSPHATE_FUCOSE-atom17 GUANOSINE_DIPHOSPHATE_FUCOSE-atom23" order="A"/> <bond id="GUANOSINE_DIPHOSPHATE_FUCOSE-bond39" atomRefs="GUANOSINE_DIPHOSPHATE_FUCOSE-atom18 GUANOSINE_DIPHOSPHATE_FUCOSE-atom19" order="1"/> <bond id="GUANOSINE_DIPHOSPHATE_FUCOSE-bond40" atomRefs="GUANOSINE_DIPHOSPHATE_FUCOSE-atom19 GUANOSINE_DIPHOSPHATE_FUCOSE-atom20" order="1"/> <bond id="GUANOSINE_DIPHOSPHATE_FUCOSE-bond41" atomRefs="GUANOSINE_DIPHOSPHATE_FUCOSE-atom20 GUANOSINE_DIPHOSPHATE_FUCOSE-atom21" order="1"/> <bond id="GUANOSINE_DIPHOSPHATE_FUCOSE-bond42" atomRefs="GUANOSINE_DIPHOSPHATE_FUCOSE-atom21 GUANOSINE_DIPHOSPHATE_FUCOSE-atom23" order="1"/> <formula concise="C 16 H 25 N 5 O 15 P 2" formalCharge="0"/> 589.345 C(OP(O)(=O)OP(O)(=O)OC1(C(O)C(O)C(O)C(C)O1))C2(OC(C(O)C(O)2)n3(c4(c(nc3)c(=O)[nH]c(N)n4)))
guanosine 5'-(trihydrogen diphosphate), P'-(6-deoxy-β-L- galactopyranosyl) ester
2-amino-9-[3,4-dihydroxy-5-[[hydroxy-[hydroxy-(3,4,5-trihydroxy- 6-methyl-tetrahydropyran-2-yl)oxy-phosphinoyl]oxy-phosphinoyl] oxymethyl]tetrahydrofuran-2-yl]-1,9-dihydropurin-6-one
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atomRefs="GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-atom32 GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-atom33" order="1"/> <bond id="GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-bond4" atomRefs="GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-atom31 GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-atom34" order="1"/> <bond id="GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-bond5" atomRefs="GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-atom30 GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-atom32" order="1"/> <bond id="GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-bond6" atomRefs="GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-atom29 GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-atom31" order="1"/> <bond id="GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-bond7" atomRefs="GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-atom27 GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-atom37" order="A"/> <bond id="GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-bond8" atomRefs="GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-atom26 GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-atom27" order="A"/> <bond id="GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-bond9" atomRefs="GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-atom36 GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-atom25" order="A"/> 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atomRefs="GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-atom21 GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-atom39" order="1"/> <bond id="GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-bond17" atomRefs="GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-atom34 GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-atom21" order="1"/> <bond id="GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-bond18" atomRefs="GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-atom20 GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-atom35" order="1"/> <bond id="GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-bond19" atomRefs="GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-atom20 GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-atom30" order="1"/> <bond id="GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-bond20" atomRefs="GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-atom19 GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-atom34" order="1"/> <bond id="GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-bond21" atomRefs="GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-atom19 GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-atom28" order="1"/> <bond id="GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-bond22" atomRefs="GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-atom18 GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-atom38" order="1"/> <bond id="GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-bond23" atomRefs="GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-atom27 GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-atom17" order="A"/> <bond id="GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-bond24" atomRefs="GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-atom17 GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-atom24" order="A"/> <bond id="GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-bond25" atomRefs="GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-atom16 GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-atom26" order="A"/> <bond id="GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-bond26" atomRefs="GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-atom30 GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-atom15" order="1"/> <bond id="GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-bond27" atomRefs="GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-atom15 GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-atom18" order="1"/> <bond id="GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-bond28" atomRefs="GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-atom37 GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-atom14" order="A"/> <bond id="GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-bond29" atomRefs="GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-atom14 GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-atom16" order="A"/> <bond id="GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-bond30" atomRefs="GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-atom13 GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-atom39" order="1"/> <bond id="GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-bond31" atomRefs="GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-atom12 GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-atom38" order="1"/> <bond id="GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-bond32" atomRefs="GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-atom33 GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-atom11" order="1"/> <bond id="GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-bond33" atomRefs="GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-atom32 GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-atom10" order="1"/> <bond id="GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-bond34" atomRefs="GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-atom31 GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-atom9" order="1"/> <bond id="GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-bond35" atomRefs="GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-atom29 GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-atom8" order="1"/> <bond id="GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-bond36" atomRefs="GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-atom7 GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-atom39" order="2"/> <bond id="GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-bond37" atomRefs="GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-atom6 GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-atom38" order="2"/> <bond id="GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-bond38" atomRefs="GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-atom5 GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-atom25" order="2"/> <bond id="GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-bond39" atomRefs="GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-atom4 GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-atom23" order="2"/> <bond id="GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-bond40" atomRefs="GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-atom3 GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-atom24" order="1"/> <bond id="GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-bond41" atomRefs="GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-atom28 GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-atom2" order="1"/> <bond id="GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-bond42" atomRefs="GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-atom1 GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE-atom36" order="1"/> <formula concise="C 16 H 23 N 5 O 15 P 2" formalCharge="0"/> 587.33 CC1(OC(C(O)C(O)C1=O)OP(=O)(O)OP(=O)(O)OCC2(OC(C(O)C2O)n3(c4(c(nc3)c(=O)[nH]c(n4)N))))
<atom id="MEVALONATE-atom1" elementType="O" x2="-1.0" y2="-0.81126"/> <atom id="MEVALONATE-atom2" elementType="C" x2="-0.66887" y2="-0.61921"/> <atom id="MEVALONATE-atom3" elementType="C" x2="0.33113" y2="-0.81126"/> <atom id="MEVALONATE-atom4" elementType="C" x2="-0.33775" y2="-0.81126"/> <atom id="MEVALONATE-atom5" elementType="O" x2="0.66556" y2="-0.23841"/> <atom id="MEVALONATE-atom6" elementType="C" x2="0.66556" y2="-0.61921"/> <atom id="MEVALONATE-atom7" elementType="C" x2="-0.00331" y2="-1.0"/> <atom id="MEVALONATE-atom8" elementType="O" x2="-0.00331" y2="-0.23841"/> <atom id="MEVALONATE-atom9" elementType="C" x2="-0.00331" y2="-0.61921"/> <atom id="MEVALONATE-atom10" elementType="O" x2="0.99669" y2="-0.81126"/> <bond id="MEVALONATE-bond1" atomRefs="MEVALONATE-atom10 MEVALONATE-atom6" order="1"/> <bond id="MEVALONATE-bond2" atomRefs="MEVALONATE-atom9 MEVALONATE-atom3" order="1"/> <bond id="MEVALONATE-bond3" atomRefs="MEVALONATE-atom8 MEVALONATE-atom9" order="1"/> <bond id="MEVALONATE-bond4" atomRefs="MEVALONATE-atom7 MEVALONATE-atom9" order="1"/> <bond id="MEVALONATE-bond5" atomRefs="MEVALONATE-atom6 MEVALONATE-atom3" order="1"/> <bond id="MEVALONATE-bond6" atomRefs="MEVALONATE-atom5 MEVALONATE-atom6" order="2"/> <bond id="MEVALONATE-bond7" atomRefs="MEVALONATE-atom4 MEVALONATE-atom9" order="1"/> <bond id="MEVALONATE-bond8" atomRefs="MEVALONATE-atom2 MEVALONATE-atom4" order="1"/> <bond id="MEVALONATE-bond9" atomRefs="MEVALONATE-atom1 MEVALONATE-atom2" order="1"/> <formula concise="C 6 H 12 O 4" formalCharge="0"/> 148.158 C(O)CC(C)(O)CC(O)=O
Hydroxymethylglutaryl-CoA reductase (NADPH)
3-hydroxy-3-methylglutaryl-coenzyme A reductase
<atom id="3-HYDROXY-PROPIONATE-atom1" elementType="C" x2="0.49917" y2="-0.71144"/> <atom id="3-HYDROXY-PROPIONATE-atom2" elementType="C" x2="-0.50249" y2="-0.71144"/> <atom id="3-HYDROXY-PROPIONATE-atom3" elementType="O" x2="0.99668" y2="-0.99668"/> <atom id="3-HYDROXY-PROPIONATE-atom4" elementType="C" x2="-0.00166" y2="-1.0"/> <atom id="3-HYDROXY-PROPIONATE-atom5" elementType="O" x2="0.49917" y2="-0.13765"/> <atom id="3-HYDROXY-PROPIONATE-atom6" elementType="O" x2="-1.0" y2="-0.99668"/> <bond id="3-HYDROXY-PROPIONATE-bond1" atomRefs="3-HYDROXY-PROPIONATE-atom6 3-HYDROXY-PROPIONATE-atom2" order="1"/> <bond id="3-HYDROXY-PROPIONATE-bond2" atomRefs="3-HYDROXY-PROPIONATE-atom5 3-HYDROXY-PROPIONATE-atom1" order="2"/> <bond id="3-HYDROXY-PROPIONATE-bond3" atomRefs="3-HYDROXY-PROPIONATE-atom4 3-HYDROXY-PROPIONATE-atom1" order="1"/> <bond id="3-HYDROXY-PROPIONATE-bond4" atomRefs="3-HYDROXY-PROPIONATE-atom3 3-HYDROXY-PROPIONATE-atom1" order="1"/> <bond id="3-HYDROXY-PROPIONATE-bond5" atomRefs="3-HYDROXY-PROPIONATE-atom2 3-HYDROXY-PROPIONATE-atom4" order="1"/> <formula concise="C 3 H 6 O 3" formalCharge="0"/> 90.079 C(O)(=O)CCO
<atom id="MALONATE-S-ALD-atom1" elementType="C" x2="0.49264" y2="-0.71195"/> <atom id="MALONATE-S-ALD-atom2" elementType="O" x2="0.99673" y2="-1.0"/> <atom id="MALONATE-S-ALD-atom3" elementType="O" x2="-0.49591" y2="-0.13257"/> <atom id="MALONATE-S-ALD-atom4" elementType="C" x2="-0.00491" y2="-0.99673"/> <atom id="MALONATE-S-ALD-atom5" elementType="H" x2="-1.0" y2="-1.0"/> <atom id="MALONATE-S-ALD-atom6" elementType="O" x2="0.49264" y2="-0.13257"/> <atom id="MALONATE-S-ALD-atom7" elementType="C" x2="-0.49591" y2="-0.71195"/> <bond id="MALONATE-S-ALD-bond1" atomRefs="MALONATE-S-ALD-atom7 MALONATE-S-ALD-atom4" order="1"/> <bond id="MALONATE-S-ALD-bond2" atomRefs="MALONATE-S-ALD-atom6 MALONATE-S-ALD-atom1" order="2"/> <bond id="MALONATE-S-ALD-bond3" atomRefs="MALONATE-S-ALD-atom5 MALONATE-S-ALD-atom7" order="1"/> <bond id="MALONATE-S-ALD-bond4" atomRefs="MALONATE-S-ALD-atom4 MALONATE-S-ALD-atom1" order="1"/> <bond id="MALONATE-S-ALD-bond5" atomRefs="MALONATE-S-ALD-atom3 MALONATE-S-ALD-atom7" order="2"/> <bond id="MALONATE-S-ALD-bond6" atomRefs="MALONATE-S-ALD-atom2 MALONATE-S-ALD-atom1" order="1"/> <formula concise="C 3 H 4 O 3" formalCharge="0"/> 88.063 C(O)(=O)C[CH]=O
<atom id="ACETALD-atom1" elementType="O" x2="0.99673" y2="0.71242"/> <atom id="ACETALD-atom2" elementType="H" x2="-0.00327" y2="-1.0"/> <atom id="ACETALD-atom3" elementType="C" x2="-0.00327" y2="0.14706"/> <atom id="ACETALD-atom4" elementType="C" x2="-1.0" y2="0.71242"/> <bond id="ACETALD-bond1" atomRefs="ACETALD-atom4 ACETALD-atom3" order="1"/> <bond id="ACETALD-bond2" atomRefs="ACETALD-atom3 ACETALD-atom1" order="2"/> <bond id="ACETALD-bond3" atomRefs="ACETALD-atom2 ACETALD-atom3" order="1"/> <formula concise="C 2 H 4 O 1" formalCharge="0"/> 44.053 [CH](C)=O
<atom id="ETOH-atom1" elementType="O" x2="0.23608" y2="-0.61996"/> <atom id="ETOH-atom2" elementType="H" x2="0.99616" y2="-0.61612"/> <atom id="ETOH-atom3" elementType="C" x2="-0.3666" y2="-1.0"/> <atom id="ETOH-atom4" elementType="C" x2="-1.0" y2="-0.60845"/> <bond id="ETOH-bond1" atomRefs="ETOH-atom4 ETOH-atom3" order="1"/> <bond id="ETOH-bond2" atomRefs="ETOH-atom3 ETOH-atom1" order="1"/> <bond id="ETOH-bond3" atomRefs="ETOH-atom2 ETOH-atom1" order="1"/> <formula concise="C 2 H 6 O 1" formalCharge="0"/> 46.069 C(C)[OH]
<atom id="D-LACTATE-atom1" elementType="C" x2="-0.75" y2="0.7"/> <atom id="D-LACTATE-atom2" elementType="O" x2="-0.75" y2="1.83"/> <atom id="D-LACTATE-atom3" elementType="C" x2="-0.75" y2="-0.44"/> <atom id="D-LACTATE-atom4" elementType="O" x2="0.55" y2="0.7"/> <atom id="D-LACTATE-atom5" elementType="O" x2="0.59" y2="-0.44"/> <atom id="D-LACTATE-atom6" elementType="C" x2="-0.75" y2="-1.63"/> <atom id="D-LACTATE-atom7" elementType="H" x2="-2.02" y2="-0.44"/> <bond id="D-LACTATE-bond1" atomRefs="D-LACTATE-atom2 D-LACTATE-atom1" order="2"/> <bond id="D-LACTATE-bond2" atomRefs="D-LACTATE-atom1 D-LACTATE-atom3" order="1"/> <bond id="D-LACTATE-bond3" atomRefs="D-LACTATE-atom4 D-LACTATE-atom1" order="1"/> <bond id="D-LACTATE-bond4" atomRefs="D-LACTATE-atom3 D-LACTATE-atom5" order="1"/> <bond id="D-LACTATE-bond5" atomRefs="D-LACTATE-atom3 D-LACTATE-atom6" order="1"/> <bond id="D-LACTATE-bond6" atomRefs="D-LACTATE-atom3 D-LACTATE-atom7" order="1"/> <formula concise="C 3 H 6 O 3" formalCharge="0"/> 90.079 C(O)(=O)[CH](O)C
<atom id="DTDP-DEOH-DEOXY-MANNOSE-atom1" elementType="H" x2="13.1646" y2="-9.4687"/> <atom id="DTDP-DEOH-DEOXY-MANNOSE-atom2" elementType="C" x2="17.96" y2="-9.4487"/> <atom id="DTDP-DEOH-DEOXY-MANNOSE-atom3" elementType="C" x2="0.0" y2="-4.128"/> <atom id="DTDP-DEOH-DEOXY-MANNOSE-atom4" elementType="O" x2="0.0" y2="-1.3811"/> <atom id="DTDP-DEOH-DEOXY-MANNOSE-atom5" elementType="O" x2="15.5587" y2="-10.8219"/> <atom id="DTDP-DEOH-DEOXY-MANNOSE-atom6" elementType="O" x2="13.175" y2="-6.6829"/> <atom id="DTDP-DEOH-DEOXY-MANNOSE-atom7" elementType="O" x2="8.8965" y2="-5.5072"/> <atom id="DTDP-DEOH-DEOXY-MANNOSE-atom8" elementType="O" x2="6.1421" y2="-5.5072"/> <atom id="DTDP-DEOH-DEOXY-MANNOSE-atom9" elementType="O" x2="12.2114" y2="-2.1864"/> <atom id="DTDP-DEOH-DEOXY-MANNOSE-atom10" elementType="O" x2="2.3797" y2="0.0"/> <atom id="DTDP-DEOH-DEOXY-MANNOSE-atom11" elementType="O" x2="4.7667" y2="-1.3813"/> <atom id="DTDP-DEOH-DEOXY-MANNOSE-atom12" elementType="O" x2="8.8923" y2="-2.7543"/> <atom id="DTDP-DEOH-DEOXY-MANNOSE-atom13" elementType="O" x2="6.1421" y2="-2.7543"/> <atom id="DTDP-DEOH-DEOXY-MANNOSE-atom14" elementType="C" x2="16.7698" y2="-7.3655"/> <atom id="DTDP-DEOH-DEOXY-MANNOSE-atom15" elementType="C" x2="11.2995" y2="-5.0445"/> <atom id="DTDP-DEOH-DEOXY-MANNOSE-atom16" elementType="C" x2="14.4085" y2="-3.2971"/> <atom id="DTDP-DEOH-DEOXY-MANNOSE-atom17" elementType="O" x2="10.2728" y2="-4.1278"/> <atom id="DTDP-DEOH-DEOXY-MANNOSE-atom18" elementType="O" x2="2.3718" y2="-4.1282"/> <atom id="DTDP-DEOH-DEOXY-MANNOSE-atom19" elementType="O" x2="13.7127" y2="-5.4155"/> <atom id="DTDP-DEOH-DEOXY-MANNOSE-atom20" elementType="O" x2="4.7667" y2="-4.1282"/> <atom id="DTDP-DEOH-DEOXY-MANNOSE-atom21" elementType="O" x2="7.5185" y2="-4.1307"/> <atom id="DTDP-DEOH-DEOXY-MANNOSE-atom22" elementType="C" x2="1.1783" y2="-2.0678"/> <atom id="DTDP-DEOH-DEOXY-MANNOSE-atom23" elementType="C" x2="16.7698" y2="-8.7572"/> <atom id="DTDP-DEOH-DEOXY-MANNOSE-atom24" elementType="C" x2="15.5625" y2="-9.4454"/> <atom id="DTDP-DEOH-DEOXY-MANNOSE-atom25" elementType="C" x2="14.3703" y2="-7.3655"/> <atom id="DTDP-DEOH-DEOXY-MANNOSE-atom26" elementType="C" x2="1.1783" y2="-3.4412"/> <atom id="DTDP-DEOH-DEOXY-MANNOSE-atom27" elementType="C" x2="13.0245" y2="-3.2971"/> <atom id="DTDP-DEOH-DEOXY-MANNOSE-atom28" elementType="C" x2="2.3718" y2="-1.3811"/> <atom id="DTDP-DEOH-DEOXY-MANNOSE-atom29" elementType="C" x2="3.573" y2="-2.068"/> <atom id="DTDP-DEOH-DEOXY-MANNOSE-atom30" elementType="C" x2="12.6068" y2="-4.614"/> <atom id="DTDP-DEOH-DEOXY-MANNOSE-atom31" elementType="C" x2="14.8339" y2="-4.614"/> <atom id="DTDP-DEOH-DEOXY-MANNOSE-atom32" elementType="C" x2="3.573" y2="-3.4414"/> <atom id="DTDP-DEOH-DEOXY-MANNOSE-atom33" elementType="N" x2="14.3703" y2="-8.7572"/> <atom id="DTDP-DEOH-DEOXY-MANNOSE-atom34" elementType="N" x2="15.56" y2="-6.6589"/> <atom id="DTDP-DEOH-DEOXY-MANNOSE-atom35" elementType="P" x2="8.895" y2="-4.1307"/> <atom id="DTDP-DEOH-DEOXY-MANNOSE-atom36" elementType="P" x2="6.1421" y2="-4.1307"/> <bond id="DTDP-DEOH-DEOXY-MANNOSE-bond1" atomRefs="DTDP-DEOH-DEOXY-MANNOSE-atom31 DTDP-DEOH-DEOXY-MANNOSE-atom34" order="1"/> <bond id="DTDP-DEOH-DEOXY-MANNOSE-bond2" atomRefs="DTDP-DEOH-DEOXY-MANNOSE-atom29 DTDP-DEOH-DEOXY-MANNOSE-atom32" order="1"/> <bond id="DTDP-DEOH-DEOXY-MANNOSE-bond3" atomRefs="DTDP-DEOH-DEOXY-MANNOSE-atom28 DTDP-DEOH-DEOXY-MANNOSE-atom29" order="1"/> <bond id="DTDP-DEOH-DEOXY-MANNOSE-bond4" atomRefs="DTDP-DEOH-DEOXY-MANNOSE-atom27 DTDP-DEOH-DEOXY-MANNOSE-atom30" order="1"/> <bond id="DTDP-DEOH-DEOXY-MANNOSE-bond5" atomRefs="DTDP-DEOH-DEOXY-MANNOSE-atom25 DTDP-DEOH-DEOXY-MANNOSE-atom34" order="A"/> <bond id="DTDP-DEOH-DEOXY-MANNOSE-bond6" atomRefs="DTDP-DEOH-DEOXY-MANNOSE-atom33 DTDP-DEOH-DEOXY-MANNOSE-atom25" order="A"/> <bond id="DTDP-DEOH-DEOXY-MANNOSE-bond7" atomRefs="DTDP-DEOH-DEOXY-MANNOSE-atom24 DTDP-DEOH-DEOXY-MANNOSE-atom33" order="A"/> <bond id="DTDP-DEOH-DEOXY-MANNOSE-bond8" atomRefs="DTDP-DEOH-DEOXY-MANNOSE-atom23 DTDP-DEOH-DEOXY-MANNOSE-atom24" order="A"/> <bond id="DTDP-DEOH-DEOXY-MANNOSE-bond9" atomRefs="DTDP-DEOH-DEOXY-MANNOSE-atom22 DTDP-DEOH-DEOXY-MANNOSE-atom28" order="1"/> <bond id="DTDP-DEOH-DEOXY-MANNOSE-bond10" atomRefs="DTDP-DEOH-DEOXY-MANNOSE-atom22 DTDP-DEOH-DEOXY-MANNOSE-atom26" order="1"/> <bond id="DTDP-DEOH-DEOXY-MANNOSE-bond11" atomRefs="DTDP-DEOH-DEOXY-MANNOSE-atom21 DTDP-DEOH-DEOXY-MANNOSE-atom36" order="1"/> <bond id="DTDP-DEOH-DEOXY-MANNOSE-bond12" atomRefs="DTDP-DEOH-DEOXY-MANNOSE-atom21 DTDP-DEOH-DEOXY-MANNOSE-atom35" order="1"/> <bond id="DTDP-DEOH-DEOXY-MANNOSE-bond13" atomRefs="DTDP-DEOH-DEOXY-MANNOSE-atom20 DTDP-DEOH-DEOXY-MANNOSE-atom36" order="1"/> <bond id="DTDP-DEOH-DEOXY-MANNOSE-bond14" atomRefs="DTDP-DEOH-DEOXY-MANNOSE-atom32 DTDP-DEOH-DEOXY-MANNOSE-atom20" order="1"/> <bond id="DTDP-DEOH-DEOXY-MANNOSE-bond15" atomRefs="DTDP-DEOH-DEOXY-MANNOSE-atom19 DTDP-DEOH-DEOXY-MANNOSE-atom31" order="1"/> <bond id="DTDP-DEOH-DEOXY-MANNOSE-bond16" atomRefs="DTDP-DEOH-DEOXY-MANNOSE-atom19 DTDP-DEOH-DEOXY-MANNOSE-atom30" order="1"/> <bond id="DTDP-DEOH-DEOXY-MANNOSE-bond17" atomRefs="DTDP-DEOH-DEOXY-MANNOSE-atom18 DTDP-DEOH-DEOXY-MANNOSE-atom32" order="1"/> <bond id="DTDP-DEOH-DEOXY-MANNOSE-bond18" atomRefs="DTDP-DEOH-DEOXY-MANNOSE-atom18 DTDP-DEOH-DEOXY-MANNOSE-atom26" order="1"/> <bond id="DTDP-DEOH-DEOXY-MANNOSE-bond19" atomRefs="DTDP-DEOH-DEOXY-MANNOSE-atom17 DTDP-DEOH-DEOXY-MANNOSE-atom35" order="1"/> <bond id="DTDP-DEOH-DEOXY-MANNOSE-bond20" atomRefs="DTDP-DEOH-DEOXY-MANNOSE-atom16 DTDP-DEOH-DEOXY-MANNOSE-atom31" order="1"/> <bond id="DTDP-DEOH-DEOXY-MANNOSE-bond21" atomRefs="DTDP-DEOH-DEOXY-MANNOSE-atom16 DTDP-DEOH-DEOXY-MANNOSE-atom27" order="1"/> <bond id="DTDP-DEOH-DEOXY-MANNOSE-bond22" atomRefs="DTDP-DEOH-DEOXY-MANNOSE-atom30 DTDP-DEOH-DEOXY-MANNOSE-atom15" order="1"/> <bond id="DTDP-DEOH-DEOXY-MANNOSE-bond23" atomRefs="DTDP-DEOH-DEOXY-MANNOSE-atom15 DTDP-DEOH-DEOXY-MANNOSE-atom17" order="1"/> <bond id="DTDP-DEOH-DEOXY-MANNOSE-bond24" atomRefs="DTDP-DEOH-DEOXY-MANNOSE-atom34 DTDP-DEOH-DEOXY-MANNOSE-atom14" order="A"/> <bond id="DTDP-DEOH-DEOXY-MANNOSE-bond25" atomRefs="DTDP-DEOH-DEOXY-MANNOSE-atom14 DTDP-DEOH-DEOXY-MANNOSE-atom23" order="A"/> <bond id="DTDP-DEOH-DEOXY-MANNOSE-bond26" atomRefs="DTDP-DEOH-DEOXY-MANNOSE-atom13 DTDP-DEOH-DEOXY-MANNOSE-atom36" order="1"/> <bond id="DTDP-DEOH-DEOXY-MANNOSE-bond27" atomRefs="DTDP-DEOH-DEOXY-MANNOSE-atom12 DTDP-DEOH-DEOXY-MANNOSE-atom35" order="1"/> <bond id="DTDP-DEOH-DEOXY-MANNOSE-bond28" atomRefs="DTDP-DEOH-DEOXY-MANNOSE-atom29 DTDP-DEOH-DEOXY-MANNOSE-atom11" order="1"/> <bond id="DTDP-DEOH-DEOXY-MANNOSE-bond29" atomRefs="DTDP-DEOH-DEOXY-MANNOSE-atom28 DTDP-DEOH-DEOXY-MANNOSE-atom10" order="1"/> <bond id="DTDP-DEOH-DEOXY-MANNOSE-bond30" atomRefs="DTDP-DEOH-DEOXY-MANNOSE-atom27 DTDP-DEOH-DEOXY-MANNOSE-atom9" order="1"/> <bond id="DTDP-DEOH-DEOXY-MANNOSE-bond31" atomRefs="DTDP-DEOH-DEOXY-MANNOSE-atom8 DTDP-DEOH-DEOXY-MANNOSE-atom36" order="2"/> <bond id="DTDP-DEOH-DEOXY-MANNOSE-bond32" atomRefs="DTDP-DEOH-DEOXY-MANNOSE-atom7 DTDP-DEOH-DEOXY-MANNOSE-atom35" order="2"/> <bond id="DTDP-DEOH-DEOXY-MANNOSE-bond33" atomRefs="DTDP-DEOH-DEOXY-MANNOSE-atom6 DTDP-DEOH-DEOXY-MANNOSE-atom25" order="2"/> <bond id="DTDP-DEOH-DEOXY-MANNOSE-bond34" atomRefs="DTDP-DEOH-DEOXY-MANNOSE-atom5 DTDP-DEOH-DEOXY-MANNOSE-atom24" order="2"/> <bond id="DTDP-DEOH-DEOXY-MANNOSE-bond35" atomRefs="DTDP-DEOH-DEOXY-MANNOSE-atom4 DTDP-DEOH-DEOXY-MANNOSE-atom22" order="2"/> <bond id="DTDP-DEOH-DEOXY-MANNOSE-bond36" atomRefs="DTDP-DEOH-DEOXY-MANNOSE-atom26 DTDP-DEOH-DEOXY-MANNOSE-atom3" order="1"/> <bond id="DTDP-DEOH-DEOXY-MANNOSE-bond37" atomRefs="DTDP-DEOH-DEOXY-MANNOSE-atom2 DTDP-DEOH-DEOXY-MANNOSE-atom23" order="1"/> <bond id="DTDP-DEOH-DEOXY-MANNOSE-bond38" atomRefs="DTDP-DEOH-DEOXY-MANNOSE-atom1 DTDP-DEOH-DEOXY-MANNOSE-atom33" order="1"/> <formula concise="C 16 H 24 N 2 O 15 P 2" formalCharge="0"/> 546.317 Cc1(cn(c(=O)[nH]c1=O)C2(OC(C(C2)O)COP(=O)(O)OP(=O)(O)OC3(C(O)C(O)C(=O)C(O3)C)))
<atom id="5K-GLUCONATE-atom1" elementType="O" x2="-0.14146" y2="-0.24228"/> <atom id="5K-GLUCONATE-atom2" elementType="O" x2="-1.0" y2="0.02439"/> <atom id="5K-GLUCONATE-atom3" elementType="O" x2="-0.13496" y2="1.0"/> <atom id="5K-GLUCONATE-atom4" elementType="C" x2="-0.57073" y2="-0.24228"/> <atom id="5K-GLUCONATE-atom5" elementType="O" x2="-0.57073" y2="-0.99675"/> <atom id="5K-GLUCONATE-atom6" elementType="C" x2="-0.57073" y2="-0.56748"/> <atom id="5K-GLUCONATE-atom7" elementType="C" x2="-0.57073" y2="0.02439"/> <atom id="5K-GLUCONATE-atom8" elementType="O" x2="-0.13496" y2="0.34309"/> <atom id="5K-GLUCONATE-atom9" elementType="O" x2="-0.13496" y2="0.66829"/> <atom id="5K-GLUCONATE-atom10" elementType="C" x2="-0.57073" y2="0.34309"/> <atom id="5K-GLUCONATE-atom11" elementType="C" x2="-0.57073" y2="1.0"/> <atom id="5K-GLUCONATE-atom12" elementType="O" x2="-0.14146" y2="-0.56748"/> <atom id="5K-GLUCONATE-atom13" elementType="C" x2="-0.57073" y2="0.66829"/> <bond id="5K-GLUCONATE-bond1" atomRefs="5K-GLUCONATE-atom13 5K-GLUCONATE-atom10" order="1"/> <bond id="5K-GLUCONATE-bond2" atomRefs="5K-GLUCONATE-atom12 5K-GLUCONATE-atom6" order="1"/> <bond id="5K-GLUCONATE-bond3" atomRefs="5K-GLUCONATE-atom11 5K-GLUCONATE-atom13" order="1"/> <bond id="5K-GLUCONATE-bond4" atomRefs="5K-GLUCONATE-atom10 5K-GLUCONATE-atom7" order="1"/> <bond id="5K-GLUCONATE-bond5" atomRefs="5K-GLUCONATE-atom9 5K-GLUCONATE-atom13" order="2"/> <bond id="5K-GLUCONATE-bond6" atomRefs="5K-GLUCONATE-atom8 5K-GLUCONATE-atom10" order="1"/> <bond id="5K-GLUCONATE-bond7" atomRefs="5K-GLUCONATE-atom7 5K-GLUCONATE-atom4" order="1"/> <bond id="5K-GLUCONATE-bond8" atomRefs="5K-GLUCONATE-atom6 5K-GLUCONATE-atom4" order="1"/> <bond id="5K-GLUCONATE-bond9" atomRefs="5K-GLUCONATE-atom5 5K-GLUCONATE-atom6" order="2"/> <bond id="5K-GLUCONATE-bond10" atomRefs="5K-GLUCONATE-atom3 5K-GLUCONATE-atom11" order="1"/> <bond id="5K-GLUCONATE-bond11" atomRefs="5K-GLUCONATE-atom2 5K-GLUCONATE-atom7" order="1"/> <bond id="5K-GLUCONATE-bond12" atomRefs="5K-GLUCONATE-atom1 5K-GLUCONATE-atom4" order="1"/> <formula concise="C 6 H 10 O 7" formalCharge="0"/> 194.141 C(=O)(O)C(O)C(O)C(O)C(=O)CO
<atom id="GLC-D-LACTONE-atom1" elementType="C" x2="0.7667" y2="2.2"/> <atom id="GLC-D-LACTONE-atom2" elementType="C" x2="0.7667" y2="2.9584"/> <atom id="GLC-D-LACTONE-atom3" elementType="C" x2="1.4162" y2="3.3417"/> <atom id="GLC-D-LACTONE-atom4" elementType="O" x2="2.074" y2="2.9584"/> <atom id="GLC-D-LACTONE-atom5" elementType="C" x2="2.074" y2="2.2"/> <atom id="GLC-D-LACTONE-atom6" elementType="C" x2="1.4162" y2="1.825"/> <atom id="GLC-D-LACTONE-atom7" elementType="O" x2="1.4141" y2="1.075"/> <atom id="GLC-D-LACTONE-atom8" elementType="O" x2="0.1154" y2="3.3303"/> <atom id="GLC-D-LACTONE-atom9" elementType="O" x2="0.1171" y2="1.825"/> <atom id="GLC-D-LACTONE-atom10" elementType="C" x2="2.7225" y2="1.8232"/> <atom id="GLC-D-LACTONE-atom11" elementType="O" x2="1.4141" y2="4.0917"/> <atom id="GLC-D-LACTONE-atom12" elementType="O" x2="3.3731" y2="2.1965"/> <bond id="GLC-D-LACTONE-bond1" atomRefs="GLC-D-LACTONE-atom10 GLC-D-LACTONE-atom12" order="1"/> <bond id="GLC-D-LACTONE-bond2" atomRefs="GLC-D-LACTONE-atom3 GLC-D-LACTONE-atom11" order="2"/> <bond id="GLC-D-LACTONE-bond3" atomRefs="GLC-D-LACTONE-atom5 GLC-D-LACTONE-atom10" order="1"/> <bond id="GLC-D-LACTONE-bond4" atomRefs="GLC-D-LACTONE-atom1 GLC-D-LACTONE-atom9" order="1"/> <bond id="GLC-D-LACTONE-bond5" atomRefs="GLC-D-LACTONE-atom2 GLC-D-LACTONE-atom8" order="1"/> <bond id="GLC-D-LACTONE-bond6" atomRefs="GLC-D-LACTONE-atom6 GLC-D-LACTONE-atom7" order="1"/> <bond id="GLC-D-LACTONE-bond7" atomRefs="GLC-D-LACTONE-atom5 GLC-D-LACTONE-atom6" order="1"/> <bond id="GLC-D-LACTONE-bond8" atomRefs="GLC-D-LACTONE-atom4 GLC-D-LACTONE-atom5" order="1"/> <bond id="GLC-D-LACTONE-bond9" atomRefs="GLC-D-LACTONE-atom3 GLC-D-LACTONE-atom4" order="1"/> <bond id="GLC-D-LACTONE-bond10" atomRefs="GLC-D-LACTONE-atom2 GLC-D-LACTONE-atom3" order="1"/> <bond id="GLC-D-LACTONE-bond11" atomRefs="GLC-D-LACTONE-atom1 GLC-D-LACTONE-atom2" order="1"/> <bond id="GLC-D-LACTONE-bond12" atomRefs="GLC-D-LACTONE-atom1 GLC-D-LACTONE-atom6" order="1"/> <formula concise="C 6 H 10 O 6" formalCharge="0"/> 178.141 C1(OC(CO)C(O)C(O)C(O)1)(=O)
Glycerol-3-phosphate dehydrogenase (NAD(P)+)
NAD(P)H-dependent dihydroxyacetone-phosphate reductase
<atom id="L-IDONATE-atom1" elementType="O" x2="-0.36714977" y2="0.16908216"/> <atom id="L-IDONATE-atom2" elementType="C" x2="-0.6956522" y2="0.8357488"/> <atom id="L-IDONATE-atom3" elementType="C" x2="-0.6956522" y2="-0.8309179"/> <atom id="L-IDONATE-atom4" elementType="O" x2="-0.40579712" y2="-1.0"/> <atom id="L-IDONATE-atom5" elementType="C" x2="-0.6956522" y2="-0.49758452"/> <atom id="L-IDONATE-atom6" elementType="C" x2="-0.6956522" y2="-0.16425121"/> <atom id="L-IDONATE-atom7" elementType="O" x2="-0.36231887" y2="-0.49758452"/> <atom id="L-IDONATE-atom8" elementType="C" x2="-0.6956522" y2="0.16908216"/> <atom id="L-IDONATE-atom9" elementType="O" x2="-0.98550725" y2="-1.0"/> <atom id="L-IDONATE-atom10" elementType="O" x2="-0.99033815" y2="-0.16425121"/> <atom id="L-IDONATE-atom11" elementType="C" x2="-0.6956522" y2="0.5024154"/> <atom id="L-IDONATE-atom12" elementType="O" x2="-1.0" y2="0.5024154"/> <atom id="L-IDONATE-atom13" elementType="O" x2="-0.93236715" y2="0.99516904"/> <bond id="L-IDONATE-bond1" atomRefs="L-IDONATE-atom11 L-IDONATE-atom12" order="1"/> <bond id="L-IDONATE-bond2" atomRefs="L-IDONATE-atom11 L-IDONATE-atom2" order="1"/> <bond id="L-IDONATE-bond3" atomRefs="L-IDONATE-atom8 L-IDONATE-atom11" order="1"/> <bond id="L-IDONATE-bond4" atomRefs="L-IDONATE-atom8 L-IDONATE-atom1" order="1"/> <bond id="L-IDONATE-bond5" atomRefs="L-IDONATE-atom6 L-IDONATE-atom8" order="1"/> <bond id="L-IDONATE-bond6" atomRefs="L-IDONATE-atom6 L-IDONATE-atom10" order="1"/> <bond id="L-IDONATE-bond7" atomRefs="L-IDONATE-atom5 L-IDONATE-atom6" order="1"/> <bond id="L-IDONATE-bond8" atomRefs="L-IDONATE-atom5 L-IDONATE-atom7" order="1"/> <bond id="L-IDONATE-bond9" atomRefs="L-IDONATE-atom3 L-IDONATE-atom4" order="2"/> <bond id="L-IDONATE-bond10" atomRefs="L-IDONATE-atom3 L-IDONATE-atom5" order="1"/> <bond id="L-IDONATE-bond11" atomRefs="L-IDONATE-atom3 L-IDONATE-atom9" order="1"/> <bond id="L-IDONATE-bond12" atomRefs="L-IDONATE-atom2 L-IDONATE-atom13" order="1"/> <formula concise="C 6 H 12 O 7" formalCharge="0"/> 196.157 C(O)C(O)C(O)C(O)C(O)C(=O)O
<atom id="L-LACTATE-atom1" elementType="C" x2="1.2124" y2="0.0"/> <atom id="L-LACTATE-atom2" elementType="O" x2="2.4248" y2="-3.5"/> <atom id="L-LACTATE-atom3" elementType="O" x2="3.6373" y2="-1.4"/> <atom id="L-LACTATE-atom4" elementType="O" x2="0.0" y2="-2.1"/> <atom id="L-LACTATE-atom5" elementType="C" x2="2.4248" y2="-2.1"/> <atom id="L-LACTATE-atom6" elementType="C" x2="1.2124" y2="-1.4"/> <bond id="L-LACTATE-bond1" atomRefs="L-LACTATE-atom5 L-LACTATE-atom6" order="1"/> <bond id="L-LACTATE-bond2" atomRefs="L-LACTATE-atom4 L-LACTATE-atom6" order="1"/> <bond id="L-LACTATE-bond3" atomRefs="L-LACTATE-atom3 L-LACTATE-atom5" order="1"/> <bond id="L-LACTATE-bond4" atomRefs="L-LACTATE-atom2 L-LACTATE-atom5" order="2"/> <bond id="L-LACTATE-bond5" atomRefs="L-LACTATE-atom1 L-LACTATE-atom6" order="1"/> <formula concise="C 3 H 6 O 3" formalCharge="0"/> 90.079 CC(O)C(O)=O
Malate dehydrogenase (oxaloacetate decarboxylating)
Malate dehydrogenase (oxaloacetate decarboxylating) (NADP+)
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atomRefs="3-KETOACYL-COA-atom14 3-KETOACYL-COA-atom47" order="1"/> <bond id="3-KETOACYL-COA-bond16" atomRefs="3-KETOACYL-COA-atom15 3-KETOACYL-COA-atom6" order="1"/> <bond id="3-KETOACYL-COA-bond17" atomRefs="3-KETOACYL-COA-atom16 3-KETOACYL-COA-atom56" order="1"/> <bond id="3-KETOACYL-COA-bond18" atomRefs="3-KETOACYL-COA-atom17 3-KETOACYL-COA-atom19" order="1"/> <bond id="3-KETOACYL-COA-bond19" atomRefs="3-KETOACYL-COA-atom18 3-KETOACYL-COA-atom4" order="1"/> <bond id="3-KETOACYL-COA-bond20" atomRefs="3-KETOACYL-COA-atom19 3-KETOACYL-COA-atom38" order="1"/> <bond id="3-KETOACYL-COA-bond21" atomRefs="3-KETOACYL-COA-atom20 3-KETOACYL-COA-atom4" order="2"/> <bond id="3-KETOACYL-COA-bond22" atomRefs="3-KETOACYL-COA-atom21 3-KETOACYL-COA-atom27" order="A"/> <bond id="3-KETOACYL-COA-bond23" atomRefs="3-KETOACYL-COA-atom22 3-KETOACYL-COA-atom2" order="1"/> <bond id="3-KETOACYL-COA-bond24" atomRefs="3-KETOACYL-COA-atom23 3-KETOACYL-COA-atom26" order="A"/> <bond id="3-KETOACYL-COA-bond25" atomRefs="3-KETOACYL-COA-atom58 3-KETOACYL-COA-atom24" order="A"/> <bond id="3-KETOACYL-COA-bond26" atomRefs="3-KETOACYL-COA-atom25 3-KETOACYL-COA-atom51" order="1"/> <bond id="3-KETOACYL-COA-bond27" atomRefs="3-KETOACYL-COA-atom26 3-KETOACYL-COA-atom21" order="A"/> <bond id="3-KETOACYL-COA-bond28" atomRefs="3-KETOACYL-COA-atom27 3-KETOACYL-COA-atom12" order="A"/> <bond id="3-KETOACYL-COA-bond29" atomRefs="3-KETOACYL-COA-atom28 3-KETOACYL-COA-atom19" order="1"/> <bond id="3-KETOACYL-COA-bond30" atomRefs="3-KETOACYL-COA-atom29 3-KETOACYL-COA-atom39" order="2"/> <bond id="3-KETOACYL-COA-bond31" atomRefs="3-KETOACYL-COA-atom30 3-KETOACYL-COA-atom42" order="1"/> <bond id="3-KETOACYL-COA-bond32" atomRefs="3-KETOACYL-COA-atom32 3-KETOACYL-COA-atom55" order="1"/> <bond id="3-KETOACYL-COA-bond33" atomRefs="3-KETOACYL-COA-atom12 3-KETOACYL-COA-atom33" order="A"/> <bond id="3-KETOACYL-COA-bond34" atomRefs="3-KETOACYL-COA-atom34 3-KETOACYL-COA-atom7" order="1"/> <bond id="3-KETOACYL-COA-bond35" atomRefs="3-KETOACYL-COA-atom35 3-KETOACYL-COA-atom19" order="2"/> <bond id="3-KETOACYL-COA-bond36" atomRefs="3-KETOACYL-COA-atom36 3-KETOACYL-COA-atom41" order="1"/> <bond id="3-KETOACYL-COA-bond37" atomRefs="3-KETOACYL-COA-atom37 3-KETOACYL-COA-atom47" order="1"/> <bond id="3-KETOACYL-COA-bond38" atomRefs="3-KETOACYL-COA-atom38 3-KETOACYL-COA-atom37" order="1"/> <bond id="3-KETOACYL-COA-bond39" atomRefs="3-KETOACYL-COA-atom39 3-KETOACYL-COA-atom17" order="1"/> <bond id="3-KETOACYL-COA-bond40" atomRefs="3-KETOACYL-COA-atom40 3-KETOACYL-COA-atom56" order="2"/> <bond id="3-KETOACYL-COA-bond41" atomRefs="3-KETOACYL-COA-atom41 3-KETOACYL-COA-atom39" order="1"/> <bond id="3-KETOACYL-COA-bond42" atomRefs="3-KETOACYL-COA-atom42 3-KETOACYL-COA-atom54" order="1"/> <bond id="3-KETOACYL-COA-bond43" atomRefs="3-KETOACYL-COA-atom42 3-KETOACYL-COA-atom11" order="1"/> <bond id="3-KETOACYL-COA-bond44" atomRefs="3-KETOACYL-COA-atom43 3-KETOACYL-COA-atom23" order="1"/> <bond id="3-KETOACYL-COA-bond45" atomRefs="3-KETOACYL-COA-atom44 3-KETOACYL-COA-atom56" order="1"/> <bond id="3-KETOACYL-COA-bond46" atomRefs="3-KETOACYL-COA-atom45 3-KETOACYL-COA-atom1" order="2"/> <bond id="3-KETOACYL-COA-bond47" atomRefs="3-KETOACYL-COA-atom24 3-KETOACYL-COA-atom46" order="A"/> <bond id="3-KETOACYL-COA-bond48" atomRefs="3-KETOACYL-COA-atom46 3-KETOACYL-COA-atom23" order="A"/> <bond id="3-KETOACYL-COA-bond49" atomRefs="3-KETOACYL-COA-atom47 3-KETOACYL-COA-atom13" order="1"/> <bond id="3-KETOACYL-COA-bond50" atomRefs="3-KETOACYL-COA-atom47 3-KETOACYL-COA-atom42" order="1"/> <bond id="3-KETOACYL-COA-bond51" atomRefs="3-KETOACYL-COA-atom48 3-KETOACYL-COA-atom1" order="1"/> <bond id="3-KETOACYL-COA-bond52" atomRefs="3-KETOACYL-COA-atom49 3-KETOACYL-COA-atom11" order="1"/> <bond id="3-KETOACYL-COA-bond53" atomRefs="3-KETOACYL-COA-atom50 3-KETOACYL-COA-atom5" order="1"/> <bond id="3-KETOACYL-COA-bond54" atomRefs="3-KETOACYL-COA-atom51 3-KETOACYL-COA-atom57" order="1"/> <bond id="3-KETOACYL-COA-bond55" atomRefs="3-KETOACYL-COA-atom52 3-KETOACYL-COA-atom11" order="1"/> <bond id="3-KETOACYL-COA-bond56" atomRefs="3-KETOACYL-COA-atom53 3-KETOACYL-COA-atom39" order="1"/> <bond id="3-KETOACYL-COA-bond57" atomRefs="3-KETOACYL-COA-atom55 3-KETOACYL-COA-atom36" order="1"/> <bond id="3-KETOACYL-COA-bond58" atomRefs="3-KETOACYL-COA-atom56 3-KETOACYL-COA-atom54" order="1"/> <bond id="3-KETOACYL-COA-bond59" atomRefs="3-KETOACYL-COA-atom57 3-KETOACYL-COA-atom2" order="1"/> <bond id="3-KETOACYL-COA-bond60" atomRefs="3-KETOACYL-COA-atom33 3-KETOACYL-COA-atom58" order="A"/> </bondArray> <formula concise="C 24 H 37 N 7 O 18 R 1 P 3 S 1" formalCharge="0"/> </molecule> </cml>
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y2="-3.3335"/> <atom id="UDP-MANNAC-atom29" elementType="C" x2="12.2232" y2="-2.3578"/> <atom id="UDP-MANNAC-atom30" elementType="C" x2="2.3846" y2="-2.629"/> <atom id="UDP-MANNAC-atom31" elementType="C" x2="13.5784" y2="-2.3578"/> <atom id="UDP-MANNAC-atom32" elementType="C" x2="1.1923" y2="-4.7156"/> <atom id="UDP-MANNAC-atom33" elementType="C" x2="11.7899" y2="-3.6593"/> <atom id="UDP-MANNAC-atom34" elementType="C" x2="3.5779" y2="-4.7156"/> <atom id="UDP-MANNAC-atom35" elementType="C" x2="3.5779" y2="-3.3335"/> <atom id="UDP-MANNAC-atom36" elementType="C" x2="13.9848" y2="-3.6316"/> <atom id="UDP-MANNAC-atom37" elementType="N" x2="13.8765" y2="-7.9139"/> <atom id="UDP-MANNAC-atom38" elementType="N" x2="15.0688" y2="-5.8273"/> <atom id="UDP-MANNAC-atom39" elementType="P" x2="8.8358" y2="-5.3932"/> <atom id="UDP-MANNAC-atom40" elementType="P" x2="6.1254" y2="-5.3932"/> <bond id="UDP-MANNAC-bond1" atomRefs="UDP-MANNAC-atom36 UDP-MANNAC-atom38" order="1"/> <bond id="UDP-MANNAC-bond2" atomRefs="UDP-MANNAC-atom34 UDP-MANNAC-atom35" order="1"/> <bond id="UDP-MANNAC-bond3" atomRefs="UDP-MANNAC-atom31 UDP-MANNAC-atom36" order="1"/> <bond id="UDP-MANNAC-bond4" atomRefs="UDP-MANNAC-atom30 UDP-MANNAC-atom35" order="1"/> <bond id="UDP-MANNAC-bond5" atomRefs="UDP-MANNAC-atom29 UDP-MANNAC-atom33" order="1"/> <bond id="UDP-MANNAC-bond6" atomRefs="UDP-MANNAC-atom29 UDP-MANNAC-atom31" order="1"/> <bond id="UDP-MANNAC-bond7" atomRefs="UDP-MANNAC-atom28 UDP-MANNAC-atom32" order="1"/> <bond id="UDP-MANNAC-bond8" atomRefs="UDP-MANNAC-atom28 UDP-MANNAC-atom30" order="1"/> <bond id="UDP-MANNAC-bond9" atomRefs="UDP-MANNAC-atom27 UDP-MANNAC-atom38" order="A"/> <bond id="UDP-MANNAC-bond10" atomRefs="UDP-MANNAC-atom37 UDP-MANNAC-atom27" order="A"/> <bond id="UDP-MANNAC-bond11" atomRefs="UDP-MANNAC-atom26 UDP-MANNAC-atom37" order="A"/> <bond id="UDP-MANNAC-bond12" atomRefs="UDP-MANNAC-atom24 UDP-MANNAC-atom40" order="1"/> <bond id="UDP-MANNAC-bond13" atomRefs="UDP-MANNAC-atom24 UDP-MANNAC-atom39" order="1"/> <bond id="UDP-MANNAC-bond14" atomRefs="UDP-MANNAC-atom23 UDP-MANNAC-atom40" order="1"/> <bond id="UDP-MANNAC-bond15" atomRefs="UDP-MANNAC-atom34 UDP-MANNAC-atom23" order="1"/> <bond id="UDP-MANNAC-bond16" atomRefs="UDP-MANNAC-atom22 UDP-MANNAC-atom36" order="1"/> <bond id="UDP-MANNAC-bond17" atomRefs="UDP-MANNAC-atom22 UDP-MANNAC-atom33" order="1"/> <bond id="UDP-MANNAC-bond18" atomRefs="UDP-MANNAC-atom21 UDP-MANNAC-atom34" order="1"/> <bond id="UDP-MANNAC-bond19" atomRefs="UDP-MANNAC-atom21 UDP-MANNAC-atom32" order="1"/> <bond id="UDP-MANNAC-bond20" atomRefs="UDP-MANNAC-atom20 UDP-MANNAC-atom39" order="1"/> <bond id="UDP-MANNAC-bond21" atomRefs="UDP-MANNAC-atom35 UDP-MANNAC-atom19" order="1"/> <bond id="UDP-MANNAC-bond22" atomRefs="UDP-MANNAC-atom19 UDP-MANNAC-atom25" order="1"/> <bond id="UDP-MANNAC-bond23" atomRefs="UDP-MANNAC-atom33 UDP-MANNAC-atom18" order="1"/> <bond id="UDP-MANNAC-bond24" atomRefs="UDP-MANNAC-atom18 UDP-MANNAC-atom20" order="1"/> <bond id="UDP-MANNAC-bond25" atomRefs="UDP-MANNAC-atom32 UDP-MANNAC-atom17" order="1"/> <bond id="UDP-MANNAC-bond26" atomRefs="UDP-MANNAC-atom38 UDP-MANNAC-atom16" order="A"/> <bond id="UDP-MANNAC-bond27" atomRefs="UDP-MANNAC-atom15 UDP-MANNAC-atom26" order="A"/> <bond id="UDP-MANNAC-bond28" atomRefs="UDP-MANNAC-atom16 UDP-MANNAC-atom15" order="A"/> <bond id="UDP-MANNAC-bond29" atomRefs="UDP-MANNAC-atom14 UDP-MANNAC-atom40" order="1"/> <bond id="UDP-MANNAC-bond30" atomRefs="UDP-MANNAC-atom13 UDP-MANNAC-atom39" order="1"/> <bond id="UDP-MANNAC-bond31" atomRefs="UDP-MANNAC-atom31 UDP-MANNAC-atom12" order="1"/> <bond id="UDP-MANNAC-bond32" atomRefs="UDP-MANNAC-atom30 UDP-MANNAC-atom11" order="1"/> <bond id="UDP-MANNAC-bond33" atomRefs="UDP-MANNAC-atom29 UDP-MANNAC-atom10" order="1"/> <bond id="UDP-MANNAC-bond34" atomRefs="UDP-MANNAC-atom28 UDP-MANNAC-atom9" order="1"/> <bond id="UDP-MANNAC-bond35" atomRefs="UDP-MANNAC-atom8 UDP-MANNAC-atom17" order="1"/> <bond id="UDP-MANNAC-bond36" atomRefs="UDP-MANNAC-atom7 UDP-MANNAC-atom40" order="2"/> <bond id="UDP-MANNAC-bond37" atomRefs="UDP-MANNAC-atom6 UDP-MANNAC-atom39" order="2"/> <bond id="UDP-MANNAC-bond38" atomRefs="UDP-MANNAC-atom5 UDP-MANNAC-atom27" order="2"/> <bond id="UDP-MANNAC-bond39" atomRefs="UDP-MANNAC-atom4 UDP-MANNAC-atom26" order="2"/> <bond id="UDP-MANNAC-bond40" atomRefs="UDP-MANNAC-atom3 UDP-MANNAC-atom25" order="2"/> <bond id="UDP-MANNAC-bond41" atomRefs="UDP-MANNAC-atom2 UDP-MANNAC-atom25" order="1"/> <bond id="UDP-MANNAC-bond42" atomRefs="UDP-MANNAC-atom1 UDP-MANNAC-atom37" order="1"/> <formula concise="C 17 H 27 N 3 O 17 P 2" formalCharge="0"/> 607.358 CC(=O)NC1(C(OC(CO)C(O)C1O)OP(=O)(O)OP(=O)(O)OCC2(OC(C(O)C2O)n3(c(=O)[nH]c(=O)cc3)))
uridine diphosphate N-acetylmannosamine
uridine 5'-(trihydrogen diphosphate), P'-(2-(acetylamino)-2-deoxy-α-D-mannopyranosyl) ester
<atom id="UDP-MANNACA-atom1" elementType="H" x2="13.832" y2="-8.5968"/> <atom id="UDP-MANNACA-atom2" elementType="C" x2="4.7416" y2="0.0"/> <atom id="UDP-MANNACA-atom3" elementType="O" x2="7.0989" y2="0.0"/> <atom id="UDP-MANNACA-atom4" elementType="O" x2="1.2197" y2="-6.7186"/> <atom id="UDP-MANNACA-atom5" elementType="O" x2="16.2288" y2="-9.916"/> <atom id="UDP-MANNACA-atom6" elementType="O" x2="13.8724" y2="-5.8252"/> <atom id="UDP-MANNACA-atom7" elementType="O" x2="9.998" y2="-6.7186"/> <atom id="UDP-MANNACA-atom8" elementType="O" x2="7.3153" y2="-6.7186"/> <atom id="UDP-MANNACA-atom9" elementType="O" x2="0.0" y2="-4.9039"/> <atom id="UDP-MANNACA-atom10" elementType="O" x2="12.5986" y2="-1.2458"/> <atom id="UDP-MANNACA-atom11" elementType="O" x2="1.1917" y2="-2.6277"/> <atom id="UDP-MANNACA-atom12" elementType="O" x2="3.5761" y2="-1.2729"/> <atom id="UDP-MANNACA-atom13" elementType="O" x2="15.5518" y2="-1.2458"/> <atom id="UDP-MANNACA-atom14" elementType="O" x2="9.998" y2="-4.0097"/> <atom id="UDP-MANNACA-atom15" elementType="O" x2="7.3153" y2="-4.0097"/> <atom id="UDP-MANNACA-atom16" elementType="C" x2="17.4214" y2="-7.8841"/> <atom id="UDP-MANNACA-atom17" elementType="C" x2="17.4214" y2="-6.5022"/> <atom id="UDP-MANNACA-atom18" elementType="C" x2="11.6504" y2="-4.0367"/> <atom id="UDP-MANNACA-atom19" elementType="N" x2="5.9334" y2="-2.6277"/> <atom id="UDP-MANNACA-atom20" elementType="O" x2="11.352" y2="-5.3646"/> <atom id="UDP-MANNACA-atom21" elementType="O" x2="3.5761" y2="-5.3646"/> <atom id="UDP-MANNACA-atom22" elementType="O" x2="14.0346" y2="-4.4162"/> <atom id="UDP-MANNACA-atom23" elementType="O" x2="5.9334" y2="-5.3646"/> <atom id="UDP-MANNACA-atom24" elementType="O" x2="8.6702" y2="-5.3646"/> <atom id="UDP-MANNACA-atom25" elementType="C" x2="5.9334" y2="-0.677"/> <atom id="UDP-MANNACA-atom26" elementType="C" x2="1.2197" y2="-5.3646"/> <atom id="UDP-MANNACA-atom27" elementType="C" x2="16.2288" y2="-8.5611"/> <atom id="UDP-MANNACA-atom28" elementType="C" x2="15.037" y2="-6.5022"/> <atom id="UDP-MANNACA-atom29" elementType="C" x2="13.3847" y2="-2.3294"/> <atom id="UDP-MANNACA-atom30" elementType="C" x2="2.3843" y2="-3.3048"/> <atom id="UDP-MANNACA-atom31" elementType="C" x2="3.5761" y2="-2.6007"/> <atom id="UDP-MANNACA-atom32" elementType="C" x2="14.7387" y2="-2.3294"/> <atom id="UDP-MANNACA-atom33" elementType="C" x2="12.9511" y2="-3.6302"/> <atom id="UDP-MANNACA-atom34" elementType="C" x2="4.7687" y2="-4.6867"/> <atom id="UDP-MANNACA-atom35" elementType="C" x2="2.3843" y2="-4.6867"/> <atom id="UDP-MANNACA-atom36" elementType="C" x2="4.7687" y2="-3.3048"/> <atom id="UDP-MANNACA-atom37" elementType="C" x2="15.1452" y2="-3.6031"/> <atom id="UDP-MANNACA-atom38" elementType="N" x2="15.037" y2="-7.8841"/> <atom id="UDP-MANNACA-atom39" elementType="N" x2="16.2288" y2="-5.7981"/> <atom id="UDP-MANNACA-atom40" elementType="P" x2="9.998" y2="-5.3646"/> <atom id="UDP-MANNACA-atom41" elementType="P" x2="7.3153" y2="-5.3646"/> <bond id="UDP-MANNACA-bond1" atomRefs="UDP-MANNACA-atom37 UDP-MANNACA-atom39" order="1"/> <bond id="UDP-MANNACA-bond2" atomRefs="UDP-MANNACA-atom34 UDP-MANNACA-atom36" order="1"/> <bond id="UDP-MANNACA-bond3" atomRefs="UDP-MANNACA-atom32 UDP-MANNACA-atom37" order="1"/> <bond id="UDP-MANNACA-bond4" atomRefs="UDP-MANNACA-atom31 UDP-MANNACA-atom36" order="1"/> <bond id="UDP-MANNACA-bond5" atomRefs="UDP-MANNACA-atom30 UDP-MANNACA-atom35" order="1"/> <bond id="UDP-MANNACA-bond6" atomRefs="UDP-MANNACA-atom30 UDP-MANNACA-atom31" order="1"/> <bond id="UDP-MANNACA-bond7" atomRefs="UDP-MANNACA-atom29 UDP-MANNACA-atom33" order="1"/> <bond id="UDP-MANNACA-bond8" atomRefs="UDP-MANNACA-atom29 UDP-MANNACA-atom32" order="1"/> <bond id="UDP-MANNACA-bond9" atomRefs="UDP-MANNACA-atom28 UDP-MANNACA-atom39" order="A"/> <bond id="UDP-MANNACA-bond10" atomRefs="UDP-MANNACA-atom38 UDP-MANNACA-atom28" order="A"/> <bond id="UDP-MANNACA-bond11" atomRefs="UDP-MANNACA-atom27 UDP-MANNACA-atom38" order="A"/> <bond id="UDP-MANNACA-bond12" atomRefs="UDP-MANNACA-atom35 UDP-MANNACA-atom26" order="1"/> <bond id="UDP-MANNACA-bond13" atomRefs="UDP-MANNACA-atom24 UDP-MANNACA-atom41" order="1"/> <bond id="UDP-MANNACA-bond14" atomRefs="UDP-MANNACA-atom24 UDP-MANNACA-atom40" order="1"/> <bond id="UDP-MANNACA-bond15" atomRefs="UDP-MANNACA-atom23 UDP-MANNACA-atom41" order="1"/> <bond id="UDP-MANNACA-bond16" atomRefs="UDP-MANNACA-atom34 UDP-MANNACA-atom23" order="1"/> <bond id="UDP-MANNACA-bond17" atomRefs="UDP-MANNACA-atom22 UDP-MANNACA-atom37" order="1"/> <bond id="UDP-MANNACA-bond18" atomRefs="UDP-MANNACA-atom22 UDP-MANNACA-atom33" order="1"/> <bond id="UDP-MANNACA-bond19" atomRefs="UDP-MANNACA-atom21 UDP-MANNACA-atom35" order="1"/> <bond id="UDP-MANNACA-bond20" atomRefs="UDP-MANNACA-atom21 UDP-MANNACA-atom34" order="1"/> <bond id="UDP-MANNACA-bond21" atomRefs="UDP-MANNACA-atom20 UDP-MANNACA-atom40" order="1"/> <bond id="UDP-MANNACA-bond22" atomRefs="UDP-MANNACA-atom36 UDP-MANNACA-atom19" order="1"/> <bond id="UDP-MANNACA-bond23" atomRefs="UDP-MANNACA-atom19 UDP-MANNACA-atom25" order="1"/> <bond id="UDP-MANNACA-bond24" atomRefs="UDP-MANNACA-atom33 UDP-MANNACA-atom18" order="1"/> <bond id="UDP-MANNACA-bond25" atomRefs="UDP-MANNACA-atom18 UDP-MANNACA-atom20" order="1"/> <bond id="UDP-MANNACA-bond26" atomRefs="UDP-MANNACA-atom39 UDP-MANNACA-atom17" order="A"/> <bond id="UDP-MANNACA-bond27" atomRefs="UDP-MANNACA-atom16 UDP-MANNACA-atom27" order="A"/> <bond id="UDP-MANNACA-bond28" atomRefs="UDP-MANNACA-atom17 UDP-MANNACA-atom16" order="A"/> <bond id="UDP-MANNACA-bond29" atomRefs="UDP-MANNACA-atom15 UDP-MANNACA-atom41" order="1"/> <bond id="UDP-MANNACA-bond30" atomRefs="UDP-MANNACA-atom14 UDP-MANNACA-atom40" order="1"/> <bond id="UDP-MANNACA-bond31" atomRefs="UDP-MANNACA-atom32 UDP-MANNACA-atom13" order="1"/> <bond id="UDP-MANNACA-bond32" atomRefs="UDP-MANNACA-atom31 UDP-MANNACA-atom12" order="1"/> <bond id="UDP-MANNACA-bond33" atomRefs="UDP-MANNACA-atom30 UDP-MANNACA-atom11" order="1"/> <bond id="UDP-MANNACA-bond34" atomRefs="UDP-MANNACA-atom29 UDP-MANNACA-atom10" order="1"/> <bond id="UDP-MANNACA-bond35" atomRefs="UDP-MANNACA-atom9 UDP-MANNACA-atom26" order="1"/> <bond id="UDP-MANNACA-bond36" atomRefs="UDP-MANNACA-atom8 UDP-MANNACA-atom41" order="2"/> <bond id="UDP-MANNACA-bond37" atomRefs="UDP-MANNACA-atom7 UDP-MANNACA-atom40" order="2"/> <bond id="UDP-MANNACA-bond38" atomRefs="UDP-MANNACA-atom6 UDP-MANNACA-atom28" order="2"/> <bond id="UDP-MANNACA-bond39" atomRefs="UDP-MANNACA-atom5 UDP-MANNACA-atom27" order="2"/> <bond id="UDP-MANNACA-bond40" atomRefs="UDP-MANNACA-atom4 UDP-MANNACA-atom26" order="2"/> <bond id="UDP-MANNACA-bond41" atomRefs="UDP-MANNACA-atom3 UDP-MANNACA-atom25" order="2"/> <bond id="UDP-MANNACA-bond42" atomRefs="UDP-MANNACA-atom2 UDP-MANNACA-atom25" order="1"/> <bond id="UDP-MANNACA-bond43" atomRefs="UDP-MANNACA-atom1 UDP-MANNACA-atom38" order="1"/> <formula concise="C 17 H 25 N 3 O 18 P 2" formalCharge="0"/> 621.341 CC(=O)NC1(C(OC(C(O)=O)C(O)C1O)OP(=O)(O)OP(=O)(O)OCC2(OC(C(O)C2O)n3(c(=O)[nH]c(=O)cc3)))
UDP-N-acetyl-mannosaminouronic acid
<atom id="OCTANOL-atom1" elementType="C" x2="0.24547" y2="-1.0"/> <atom id="OCTANOL-atom2" elementType="C" x2="0.99671" y2="-0.85832"/> <atom id="OCTANOL-atom3" elementType="O" x2="-1.0" y2="-0.85502"/> <atom id="OCTANOL-atom4" elementType="C" x2="-0.24876" y2="-1.0"/> <atom id="OCTANOL-atom5" elementType="C" x2="0.74629" y2="-1.0"/> <atom id="OCTANOL-atom6" elementType="C" x2="-0.74959" y2="-1.0"/> <atom id="OCTANOL-atom7" elementType="C" x2="-0.00165" y2="-0.85832"/> <atom id="OCTANOL-atom8" elementType="C" x2="-0.49918" y2="-0.85832"/> <atom id="OCTANOL-atom9" elementType="C" x2="0.49588" y2="-0.85832"/> <bond id="OCTANOL-bond1" atomRefs="OCTANOL-atom9 OCTANOL-atom1" order="1"/> <bond id="OCTANOL-bond2" atomRefs="OCTANOL-atom8 OCTANOL-atom6" order="1"/> <bond id="OCTANOL-bond3" atomRefs="OCTANOL-atom7 OCTANOL-atom4" order="1"/> <bond id="OCTANOL-bond4" atomRefs="OCTANOL-atom6 OCTANOL-atom3" order="1"/> <bond id="OCTANOL-bond5" atomRefs="OCTANOL-atom5 OCTANOL-atom9" order="1"/> <bond id="OCTANOL-bond6" atomRefs="OCTANOL-atom4 OCTANOL-atom8" order="1"/> <bond id="OCTANOL-bond7" atomRefs="OCTANOL-atom2 OCTANOL-atom5" order="1"/> <bond id="OCTANOL-bond8" atomRefs="OCTANOL-atom1 OCTANOL-atom7" order="1"/> <formula concise="C 8 H 18 O 1" formalCharge="0"/> 130.23 CCCCCCCCO
Along with EC 1.14.13.90, zeaxanthin epoxidase, this enzyme forms part of the xanthophyll (or violaxanthin) cycle for controlling the concentration of zeaxanthin in chloroplasts. It is activated by a low pH of the thylakoid lumen (produced by high light intensity). Zeaxanthin induces the dissipation of excitation energy in the chlorophyll of the light-harvesting protein complex of photosystem II. In higher plants the enzyme reacts with all-trans-diepoxides, such as violaxanthin, and all-trans-monoepoxides, but in the alga Mantoniella squamata, only the diepoxides are good substrates.
NIL L-ascorbate, also known as vitamin C, is an important cofactor for several enzymes, including |FRAME:ENZRXN-12555|, |FRAME:CPLX66-141| and |FRAME:ENZRXN-3404|. Enzymes requiring L-ascorbate are involved in many important pathways, including collagen hydroxylation, carnitine biosynthesis, norepinephrine biosynthesis, and hormone and tyrosine metabolism. In addition it is a strong reducing agent, and acts as a powerful antioxidant. The compound is synthesized by almost all organisms, with a few exceptions. Among the organisms not able to synthesize it are simians and humans.
<atom id="ASCORBATE-atom1" elementType="O" x2="-0.3703704" y2="0.1851852"/> <atom id="ASCORBATE-atom2" elementType="C" x2="-0.88148147" y2="-0.11851853"/> <atom id="ASCORBATE-atom3" elementType="O" x2="0.474074" y2="0.14074075"/> <atom id="ASCORBATE-atom4" elementType="C" x2="0.1259259" y2="-0.111111104"/> <atom id="ASCORBATE-atom5" elementType="O" x2="0.1851852" y2="-1.0"/> <atom id="ASCORBATE-atom6" elementType="C" x2="-0.69629633" y2="-0.5703704"/> <atom id="ASCORBATE-atom7" elementType="C" x2="-0.88148147" y2="0.44444442"/> <atom id="ASCORBATE-atom8" elementType="O" x2="-1.0" y2="-0.9777778"/> <atom id="ASCORBATE-atom9" elementType="C" x2="-0.88148147" y2="0.98518515"/> <atom id="ASCORBATE-atom10" elementType="O" x2="-0.51111114" y2="0.44444442"/> <atom id="ASCORBATE-atom11" elementType="C" x2="-0.07407409" y2="-0.5703704"/> <atom id="ASCORBATE-atom12" elementType="O" x2="-0.51111114" y2="0.9925926"/> <bond id="ASCORBATE-bond1" atomRefs="ASCORBATE-atom12 ASCORBATE-atom9" order="1"/> <bond id="ASCORBATE-bond2" atomRefs="ASCORBATE-atom10 ASCORBATE-atom7" order="1"/> <bond id="ASCORBATE-bond3" atomRefs="ASCORBATE-atom9 ASCORBATE-atom7" order="1"/> <bond id="ASCORBATE-bond4" atomRefs="ASCORBATE-atom8 ASCORBATE-atom6" order="1"/> <bond id="ASCORBATE-bond5" atomRefs="ASCORBATE-atom7 ASCORBATE-atom2" order="1"/> <bond id="ASCORBATE-bond6" atomRefs="ASCORBATE-atom6 ASCORBATE-atom11" order="2"/> <bond id="ASCORBATE-bond7" atomRefs="ASCORBATE-atom5 ASCORBATE-atom11" order="1"/> <bond id="ASCORBATE-bond8" atomRefs="ASCORBATE-atom4 ASCORBATE-atom11" order="1"/> <bond id="ASCORBATE-bond9" atomRefs="ASCORBATE-atom3 ASCORBATE-atom4" order="2"/> <bond id="ASCORBATE-bond10" atomRefs="ASCORBATE-atom2 ASCORBATE-atom1" order="1"/> <bond id="ASCORBATE-bond11" atomRefs="ASCORBATE-atom2 ASCORBATE-atom6" order="1"/> <bond id="ASCORBATE-bond12" atomRefs="ASCORBATE-atom1 ASCORBATE-atom4" order="1"/> <formula concise="C 6 H 8 O 6" formalCharge="0"/> 176.126 C1(OC(C(O)CO)C(O)=C(O)1)(=O) L-ascorbate acid
<atom id="L-DEHYDRO-ASCORBATE-atom1" elementType="C" x2="459.0" y2="-938.0"/> <atom id="L-DEHYDRO-ASCORBATE-atom2" elementType="C" x2="-7924.0" y2="-938.0"/> <atom id="L-DEHYDRO-ASCORBATE-atom3" elementType="O" x2="5090.0" y2="1417.0"/> <atom id="L-DEHYDRO-ASCORBATE-atom4" elementType="O" x2="-2854.0" y2="9960.0"/> <atom id="L-DEHYDRO-ASCORBATE-atom5" elementType="C" x2="-7924.0" y2="9960.0"/> <atom id="L-DEHYDRO-ASCORBATE-atom6" elementType="C" x2="-6886.0" y2="-5848.0"/> <atom id="L-DEHYDRO-ASCORBATE-atom7" elementType="O" x2="3293.0" y2="-9361.0"/> <atom id="L-DEHYDRO-ASCORBATE-atom8" elementType="O" x2="-10000.0" y2="-10000.0"/> <atom id="L-DEHYDRO-ASCORBATE-atom9" elementType="O" x2="-3573.0" y2="1856.0"/> <atom id="L-DEHYDRO-ASCORBATE-atom10" elementType="C" x2="-7924.0" y2="4491.0"/> <atom id="L-DEHYDRO-ASCORBATE-atom11" elementType="C" x2="-499.0" y2="-5848.0"/> <atom id="L-DEHYDRO-ASCORBATE-atom12" elementType="O" x2="-2735.0" y2="4491.0"/> <bond id="L-DEHYDRO-ASCORBATE-bond1" atomRefs="L-DEHYDRO-ASCORBATE-atom12 L-DEHYDRO-ASCORBATE-atom10" order="1"/> <bond id="L-DEHYDRO-ASCORBATE-bond2" atomRefs="L-DEHYDRO-ASCORBATE-atom11 L-DEHYDRO-ASCORBATE-atom1" order="1"/> <bond id="L-DEHYDRO-ASCORBATE-bond3" atomRefs="L-DEHYDRO-ASCORBATE-atom11 L-DEHYDRO-ASCORBATE-atom6" order="1"/> <bond id="L-DEHYDRO-ASCORBATE-bond4" atomRefs="L-DEHYDRO-ASCORBATE-atom10 L-DEHYDRO-ASCORBATE-atom2" order="1"/> <bond id="L-DEHYDRO-ASCORBATE-bond5" atomRefs="L-DEHYDRO-ASCORBATE-atom8 L-DEHYDRO-ASCORBATE-atom6" order="2"/> <bond id="L-DEHYDRO-ASCORBATE-bond6" atomRefs="L-DEHYDRO-ASCORBATE-atom7 L-DEHYDRO-ASCORBATE-atom11" order="2"/> <bond id="L-DEHYDRO-ASCORBATE-bond7" atomRefs="L-DEHYDRO-ASCORBATE-atom6 L-DEHYDRO-ASCORBATE-atom2" order="1"/> <bond id="L-DEHYDRO-ASCORBATE-bond8" atomRefs="L-DEHYDRO-ASCORBATE-atom5 L-DEHYDRO-ASCORBATE-atom10" order="1"/> <bond id="L-DEHYDRO-ASCORBATE-bond9" atomRefs="L-DEHYDRO-ASCORBATE-atom4 L-DEHYDRO-ASCORBATE-atom5" order="1"/> <bond id="L-DEHYDRO-ASCORBATE-bond10" atomRefs="L-DEHYDRO-ASCORBATE-atom3 L-DEHYDRO-ASCORBATE-atom1" order="2"/> <bond id="L-DEHYDRO-ASCORBATE-bond11" atomRefs="L-DEHYDRO-ASCORBATE-atom2 L-DEHYDRO-ASCORBATE-atom9" order="1"/> <bond id="L-DEHYDRO-ASCORBATE-bond12" atomRefs="L-DEHYDRO-ASCORBATE-atom1 L-DEHYDRO-ASCORBATE-atom9" order="1"/> <formula concise="C 6 H 6 O 6" formalCharge="0"/> 174.11 C1(OC(C(O)CO)C(=O)C(=O)1)(=O)
<atom id="3-HYDROXY-ANTHRANILATE-atom1" elementType="C" x2="-0.58509" y2="0.43922"/> <atom id="3-HYDROXY-ANTHRANILATE-atom2" elementType="O" x2="-0.58509" y2="-1.0"/> <atom id="3-HYDROXY-ANTHRANILATE-atom3" elementType="C" x2="-0.17018" y2="0.19935"/> <atom id="3-HYDROXY-ANTHRANILATE-atom4" elementType="N" x2="0.23501" y2="-0.53971"/> <atom id="3-HYDROXY-ANTHRANILATE-atom5" elementType="C" x2="-0.58509" y2="-0.52026"/> <atom id="3-HYDROXY-ANTHRANILATE-atom6" elementType="C" x2="-0.17018" y2="-0.28039"/> <atom id="3-HYDROXY-ANTHRANILATE-atom7" elementType="C" x2="-1.0" y2="0.19935"/> <atom id="3-HYDROXY-ANTHRANILATE-atom8" elementType="O" x2="0.64992" y2="0.51702"/> <atom id="3-HYDROXY-ANTHRANILATE-atom9" elementType="C" x2="0.17018" y2="0.51702"/> <atom id="3-HYDROXY-ANTHRANILATE-atom10" elementType="C" x2="-1.0" y2="-0.28039"/> <atom id="3-HYDROXY-ANTHRANILATE-atom11" elementType="O" x2="0.17018" y2="0.99676"/> <bond id="3-HYDROXY-ANTHRANILATE-bond1" atomRefs="3-HYDROXY-ANTHRANILATE-atom11 3-HYDROXY-ANTHRANILATE-atom9" order="2"/> <bond id="3-HYDROXY-ANTHRANILATE-bond2" atomRefs="3-HYDROXY-ANTHRANILATE-atom10 3-HYDROXY-ANTHRANILATE-atom5" order="A"/> <bond id="3-HYDROXY-ANTHRANILATE-bond3" atomRefs="3-HYDROXY-ANTHRANILATE-atom7 3-HYDROXY-ANTHRANILATE-atom10" order="A"/> <bond id="3-HYDROXY-ANTHRANILATE-bond4" atomRefs="3-HYDROXY-ANTHRANILATE-atom9 3-HYDROXY-ANTHRANILATE-atom3" order="1"/> <bond id="3-HYDROXY-ANTHRANILATE-bond5" atomRefs="3-HYDROXY-ANTHRANILATE-atom8 3-HYDROXY-ANTHRANILATE-atom9" order="1"/> <bond id="3-HYDROXY-ANTHRANILATE-bond6" atomRefs="3-HYDROXY-ANTHRANILATE-atom1 3-HYDROXY-ANTHRANILATE-atom7" order="A"/> <bond id="3-HYDROXY-ANTHRANILATE-bond7" atomRefs="3-HYDROXY-ANTHRANILATE-atom6 3-HYDROXY-ANTHRANILATE-atom3" order="A"/> <bond id="3-HYDROXY-ANTHRANILATE-bond8" atomRefs="3-HYDROXY-ANTHRANILATE-atom5 3-HYDROXY-ANTHRANILATE-atom6" order="A"/> <bond id="3-HYDROXY-ANTHRANILATE-bond9" atomRefs="3-HYDROXY-ANTHRANILATE-atom4 3-HYDROXY-ANTHRANILATE-atom6" order="1"/> <bond id="3-HYDROXY-ANTHRANILATE-bond10" atomRefs="3-HYDROXY-ANTHRANILATE-atom2 3-HYDROXY-ANTHRANILATE-atom5" order="1"/> <bond id="3-HYDROXY-ANTHRANILATE-bond11" atomRefs="3-HYDROXY-ANTHRANILATE-atom3 3-HYDROXY-ANTHRANILATE-atom1" order="A"/> <formula concise="C 7 H 7 N 1 O 3" formalCharge="0"/> 153.137 C(O)(=O)c1(c(N)c(O)ccc1)
<atom id="2-AMINO-3-CARBOXYMUCONATE_SEMIALDEHYDE-atom1" elementType="O" x2="-1.0" y2="-0.47588"/> <atom id="2-AMINO-3-CARBOXYMUCONATE_SEMIALDEHYDE-atom2" elementType="H" x2="-0.72347" y2="-0.80707"/> <atom id="2-AMINO-3-CARBOXYMUCONATE_SEMIALDEHYDE-atom3" elementType="C" x2="-0.57878" y2="-0.40514"/> <atom id="2-AMINO-3-CARBOXYMUCONATE_SEMIALDEHYDE-atom4" elementType="C" x2="-0.57878" y2="0.05145"/> <atom id="2-AMINO-3-CARBOXYMUCONATE_SEMIALDEHYDE-atom5" elementType="C" x2="-0.1865" y2="-0.63344"/> <atom id="2-AMINO-3-CARBOXYMUCONATE_SEMIALDEHYDE-atom6" elementType="C" x2="0.209" y2="0.05145"/> <atom id="2-AMINO-3-CARBOXYMUCONATE_SEMIALDEHYDE-atom7" elementType="N" x2="0.58521" y2="-0.61093"/> <atom id="2-AMINO-3-CARBOXYMUCONATE_SEMIALDEHYDE-atom8" elementType="O" x2="-0.40836" y2="-1.0"/> <atom id="2-AMINO-3-CARBOXYMUCONATE_SEMIALDEHYDE-atom9" elementType="C" x2="-0.1865" y2="0.27653"/> <atom id="2-AMINO-3-CARBOXYMUCONATE_SEMIALDEHYDE-atom10" elementType="C" x2="0.209" y2="-0.40514"/> <atom id="2-AMINO-3-CARBOXYMUCONATE_SEMIALDEHYDE-atom11" elementType="O" x2="0.11254" y2="-0.93891"/> <atom id="2-AMINO-3-CARBOXYMUCONATE_SEMIALDEHYDE-atom12" elementType="O" x2="0.99678" y2="0.15113"/> <atom id="2-AMINO-3-CARBOXYMUCONATE_SEMIALDEHYDE-atom13" elementType="C" x2="0.59807" y2="0.29904"/> <atom id="2-AMINO-3-CARBOXYMUCONATE_SEMIALDEHYDE-atom14" elementType="O" x2="0.59807" y2="0.72669"/> <bond id="2-AMINO-3-CARBOXYMUCONATE_SEMIALDEHYDE-bond1" atomRefs="2-AMINO-3-CARBOXYMUCONATE_SEMIALDEHYDE-atom14 2-AMINO-3-CARBOXYMUCONATE_SEMIALDEHYDE-atom13" order="2"/> <bond id="2-AMINO-3-CARBOXYMUCONATE_SEMIALDEHYDE-bond2" atomRefs="2-AMINO-3-CARBOXYMUCONATE_SEMIALDEHYDE-atom13 2-AMINO-3-CARBOXYMUCONATE_SEMIALDEHYDE-atom6" order="1"/> <bond id="2-AMINO-3-CARBOXYMUCONATE_SEMIALDEHYDE-bond3" atomRefs="2-AMINO-3-CARBOXYMUCONATE_SEMIALDEHYDE-atom12 2-AMINO-3-CARBOXYMUCONATE_SEMIALDEHYDE-atom13" order="1"/> <bond id="2-AMINO-3-CARBOXYMUCONATE_SEMIALDEHYDE-bond4" atomRefs="2-AMINO-3-CARBOXYMUCONATE_SEMIALDEHYDE-atom11 2-AMINO-3-CARBOXYMUCONATE_SEMIALDEHYDE-atom5" order="1"/> <bond id="2-AMINO-3-CARBOXYMUCONATE_SEMIALDEHYDE-bond5" atomRefs="2-AMINO-3-CARBOXYMUCONATE_SEMIALDEHYDE-atom10 2-AMINO-3-CARBOXYMUCONATE_SEMIALDEHYDE-atom6" order="2"/> <bond id="2-AMINO-3-CARBOXYMUCONATE_SEMIALDEHYDE-bond6" atomRefs="2-AMINO-3-CARBOXYMUCONATE_SEMIALDEHYDE-atom9 2-AMINO-3-CARBOXYMUCONATE_SEMIALDEHYDE-atom6" order="1"/> <bond id="2-AMINO-3-CARBOXYMUCONATE_SEMIALDEHYDE-bond7" atomRefs="2-AMINO-3-CARBOXYMUCONATE_SEMIALDEHYDE-atom8 2-AMINO-3-CARBOXYMUCONATE_SEMIALDEHYDE-atom5" order="2"/> <bond id="2-AMINO-3-CARBOXYMUCONATE_SEMIALDEHYDE-bond8" atomRefs="2-AMINO-3-CARBOXYMUCONATE_SEMIALDEHYDE-atom7 2-AMINO-3-CARBOXYMUCONATE_SEMIALDEHYDE-atom10" order="1"/> <bond id="2-AMINO-3-CARBOXYMUCONATE_SEMIALDEHYDE-bond9" atomRefs="2-AMINO-3-CARBOXYMUCONATE_SEMIALDEHYDE-atom5 2-AMINO-3-CARBOXYMUCONATE_SEMIALDEHYDE-atom10" order="1"/> <bond id="2-AMINO-3-CARBOXYMUCONATE_SEMIALDEHYDE-bond10" atomRefs="2-AMINO-3-CARBOXYMUCONATE_SEMIALDEHYDE-atom4 2-AMINO-3-CARBOXYMUCONATE_SEMIALDEHYDE-atom9" order="2"/> <bond id="2-AMINO-3-CARBOXYMUCONATE_SEMIALDEHYDE-bond11" atomRefs="2-AMINO-3-CARBOXYMUCONATE_SEMIALDEHYDE-atom3 2-AMINO-3-CARBOXYMUCONATE_SEMIALDEHYDE-atom4" order="1"/> <bond id="2-AMINO-3-CARBOXYMUCONATE_SEMIALDEHYDE-bond12" atomRefs="2-AMINO-3-CARBOXYMUCONATE_SEMIALDEHYDE-atom2 2-AMINO-3-CARBOXYMUCONATE_SEMIALDEHYDE-atom3" order="1"/> <bond id="2-AMINO-3-CARBOXYMUCONATE_SEMIALDEHYDE-bond13" atomRefs="2-AMINO-3-CARBOXYMUCONATE_SEMIALDEHYDE-atom1 2-AMINO-3-CARBOXYMUCONATE_SEMIALDEHYDE-atom3" order="2"/> <formula concise="C 7 H 7 N 1 O 5" formalCharge="0"/> 185.136 [CH](=O)C=CC(C(=O)O)=C(N)C(O)=O
<atom id="CATECHOL-atom1" elementType="C" x2="0.99669" y2="-0.60992"/> <atom id="CATECHOL-atom2" elementType="C" x2="-0.33554" y2="0.15041"/> <atom id="CATECHOL-atom3" elementType="C" x2="0.32562" y2="0.5405"/> <atom id="CATECHOL-atom4" elementType="O" x2="-1.0" y2="-0.99669"/> <atom id="CATECHOL-atom5" elementType="C" x2="-0.33554" y2="-0.60992"/> <atom id="CATECHOL-atom6" elementType="C" x2="0.99669" y2="0.15041"/> <atom id="CATECHOL-atom7" elementType="O" x2="-1.0" y2="0.53719"/> <atom id="CATECHOL-atom8" elementType="C" x2="0.32562" y2="-1.0"/> <bond id="CATECHOL-bond1" atomRefs="CATECHOL-atom1 CATECHOL-atom8" order="A"/> <bond id="CATECHOL-bond2" atomRefs="CATECHOL-atom8 CATECHOL-atom5" order="A"/> <bond id="CATECHOL-bond3" atomRefs="CATECHOL-atom7 CATECHOL-atom2" order="1"/> <bond id="CATECHOL-bond4" atomRefs="CATECHOL-atom3 CATECHOL-atom6" order="A"/> <bond id="CATECHOL-bond5" atomRefs="CATECHOL-atom5 CATECHOL-atom2" order="A"/> <bond id="CATECHOL-bond6" atomRefs="CATECHOL-atom4 CATECHOL-atom5" order="1"/> <bond id="CATECHOL-bond7" atomRefs="CATECHOL-atom2 CATECHOL-atom3" order="A"/> <bond id="CATECHOL-bond8" atomRefs="CATECHOL-atom6 CATECHOL-atom1" order="A"/> <formula concise="C 6 H 6 O 2" formalCharge="0"/> 110.112 c1(cc(O)c(O)cc1) 1,2-benzenediol
<atom id="HYDROXYMUCONATE-SALD-atom1" elementType="O" x2="0.99681" y2="0.78947"/> <atom id="HYDROXYMUCONATE-SALD-atom2" elementType="C" x2="-0.51196" y2="-0.38118"/> <atom id="HYDROXYMUCONATE-SALD-atom3" elementType="O" x2="-1.0" y2="-0.86284"/> <atom id="HYDROXYMUCONATE-SALD-atom4" elementType="C" x2="0.21212" y2="-0.38118"/> <atom id="HYDROXYMUCONATE-SALD-atom5" elementType="C" x2="-0.88517" y2="0.2504"/> <atom id="HYDROXYMUCONATE-SALD-atom6" elementType="O" x2="-0.08772" y2="-1.0"/> <atom id="HYDROXYMUCONATE-SALD-atom7" elementType="C" x2="-0.51515" y2="0.88517"/> <atom id="HYDROXYMUCONATE-SALD-atom8" elementType="O" x2="0.74801" y2="-0.80861"/> <atom id="HYDROXYMUCONATE-SALD-atom9" elementType="C" x2="0.57257" y2="0.2504"/> <atom id="HYDROXYMUCONATE-SALD-atom10" elementType="C" x2="0.20574" y2="0.88517"/> <bond id="HYDROXYMUCONATE-SALD-bond1" atomRefs="HYDROXYMUCONATE-SALD-atom10 HYDROXYMUCONATE-SALD-atom9" order="1"/> <bond id="HYDROXYMUCONATE-SALD-bond2" atomRefs="HYDROXYMUCONATE-SALD-atom8 HYDROXYMUCONATE-SALD-atom4" order="1"/> <bond id="HYDROXYMUCONATE-SALD-bond3" atomRefs="HYDROXYMUCONATE-SALD-atom7 HYDROXYMUCONATE-SALD-atom10" order="2"/> <bond id="HYDROXYMUCONATE-SALD-bond4" atomRefs="HYDROXYMUCONATE-SALD-atom6 HYDROXYMUCONATE-SALD-atom4" order="2"/> <bond id="HYDROXYMUCONATE-SALD-bond5" atomRefs="HYDROXYMUCONATE-SALD-atom5 HYDROXYMUCONATE-SALD-atom7" order="1"/> <bond id="HYDROXYMUCONATE-SALD-bond6" atomRefs="HYDROXYMUCONATE-SALD-atom4 HYDROXYMUCONATE-SALD-atom2" order="1"/> <bond id="HYDROXYMUCONATE-SALD-bond7" atomRefs="HYDROXYMUCONATE-SALD-atom3 HYDROXYMUCONATE-SALD-atom2" order="1"/> <bond id="HYDROXYMUCONATE-SALD-bond8" atomRefs="HYDROXYMUCONATE-SALD-atom2 HYDROXYMUCONATE-SALD-atom5" order="2"/> <bond id="HYDROXYMUCONATE-SALD-bond9" atomRefs="HYDROXYMUCONATE-SALD-atom1 HYDROXYMUCONATE-SALD-atom9" order="2"/> <formula concise="C 6 H 6 O 4" formalCharge="0"/> 142.111 C(=O)(O)C(O)=CC=CC=O
<atom id="N-FORMYLKYNURENINE-atom1" elementType="N" x2="6.1018" y2="0.0"/> <atom id="N-FORMYLKYNURENINE-atom2" elementType="O" x2="4.6708" y2="-6.7031"/> <atom id="N-FORMYLKYNURENINE-atom3" elementType="O" x2="7.2567" y2="-3.5645"/> <atom id="N-FORMYLKYNURENINE-atom4" elementType="O" x2="3.5927" y2="-0.1857"/> <atom id="N-FORMYLKYNURENINE-atom5" elementType="O" x2="8.6395" y2="-2.1816"/> <atom id="N-FORMYLKYNURENINE-atom6" elementType="C" x2="3.5966" y2="-5.8053"/> <atom id="N-FORMYLKYNURENINE-atom7" elementType="C" x2="0.0" y2="-3.664"/> <atom id="N-FORMYLKYNURENINE-atom8" elementType="C" x2="0.0" y2="-2.2669"/> <atom id="N-FORMYLKYNURENINE-atom9" elementType="C" x2="1.1834" y2="-4.3486"/> <atom id="N-FORMYLKYNURENINE-atom10" elementType="C" x2="1.1834" y2="-1.5685"/> <atom id="N-FORMYLKYNURENINE-atom11" elementType="C" x2="4.7903" y2="-2.2669"/> <atom id="N-FORMYLKYNURENINE-atom12" elementType="N" x2="3.5641" y2="-4.4056"/> <atom id="N-FORMYLKYNURENINE-atom13" elementType="C" x2="7.2567" y2="-2.1816"/> <atom id="N-FORMYLKYNURENINE-atom14" elementType="C" x2="3.5927" y2="-1.5685"/> <atom id="N-FORMYLKYNURENINE-atom15" elementType="C" x2="2.395" y2="-3.664"/> <atom id="N-FORMYLKYNURENINE-atom16" elementType="C" x2="2.395" y2="-2.2669"/> <atom id="N-FORMYLKYNURENINE-atom17" elementType="C" x2="6.1018" y2="-1.3833"/> <bond id="N-FORMYLKYNURENINE-bond1" atomRefs="N-FORMYLKYNURENINE-atom16 N-FORMYLKYNURENINE-atom15" order="A"/> <bond id="N-FORMYLKYNURENINE-bond2" atomRefs="N-FORMYLKYNURENINE-atom14 N-FORMYLKYNURENINE-atom16" order="1"/> <bond id="N-FORMYLKYNURENINE-bond3" atomRefs="N-FORMYLKYNURENINE-atom13 N-FORMYLKYNURENINE-atom17" order="1"/> <bond id="N-FORMYLKYNURENINE-bond4" atomRefs="N-FORMYLKYNURENINE-atom12 N-FORMYLKYNURENINE-atom15" order="1"/> <bond id="N-FORMYLKYNURENINE-bond5" atomRefs="N-FORMYLKYNURENINE-atom11 N-FORMYLKYNURENINE-atom17" order="1"/> <bond id="N-FORMYLKYNURENINE-bond6" atomRefs="N-FORMYLKYNURENINE-atom11 N-FORMYLKYNURENINE-atom14" order="1"/> <bond id="N-FORMYLKYNURENINE-bond7" atomRefs="N-FORMYLKYNURENINE-atom10 N-FORMYLKYNURENINE-atom16" order="A"/> <bond id="N-FORMYLKYNURENINE-bond8" atomRefs="N-FORMYLKYNURENINE-atom15 N-FORMYLKYNURENINE-atom9" order="A"/> <bond id="N-FORMYLKYNURENINE-bond9" atomRefs="N-FORMYLKYNURENINE-atom8 N-FORMYLKYNURENINE-atom10" order="A"/> <bond id="N-FORMYLKYNURENINE-bond10" atomRefs="N-FORMYLKYNURENINE-atom9 N-FORMYLKYNURENINE-atom7" order="A"/> <bond id="N-FORMYLKYNURENINE-bond11" atomRefs="N-FORMYLKYNURENINE-atom7 N-FORMYLKYNURENINE-atom8" order="A"/> <bond id="N-FORMYLKYNURENINE-bond12" atomRefs="N-FORMYLKYNURENINE-atom6 N-FORMYLKYNURENINE-atom12" order="1"/> <bond id="N-FORMYLKYNURENINE-bond13" atomRefs="N-FORMYLKYNURENINE-atom5 N-FORMYLKYNURENINE-atom13" order="1"/> <bond id="N-FORMYLKYNURENINE-bond14" atomRefs="N-FORMYLKYNURENINE-atom4 N-FORMYLKYNURENINE-atom14" order="2"/> <bond id="N-FORMYLKYNURENINE-bond15" atomRefs="N-FORMYLKYNURENINE-atom3 N-FORMYLKYNURENINE-atom13" order="2"/> <bond id="N-FORMYLKYNURENINE-bond16" atomRefs="N-FORMYLKYNURENINE-atom2 N-FORMYLKYNURENINE-atom6" order="2"/> <bond id="N-FORMYLKYNURENINE-bond17" atomRefs="N-FORMYLKYNURENINE-atom1 N-FORMYLKYNURENINE-atom17" order="1"/> <formula concise="C 11 H 12 N 2 O 4" formalCharge="0"/> 236.227 C(=O)(O)C(N)CC(=O)c1(c(NC=O)cccc1)
<atom id="GAMMA-BUTYROBETAINE-atom1" elementType="O" x2="0.99726415" y2="-0.81395346" formalCharge="-1"/> <atom id="GAMMA-BUTYROBETAINE-atom2" elementType="O" x2="0.6744187" y2="-0.25034195"/> <atom id="GAMMA-BUTYROBETAINE-atom3" elementType="C" x2="-0.33789325" y2="-0.8166895"/> <atom id="GAMMA-BUTYROBETAINE-atom4" elementType="N" x2="-0.6716826" y2="-0.62517095" formalCharge="1"/> <atom id="GAMMA-BUTYROBETAINE-atom5" elementType="C" x2="0.3351574" y2="-0.8166895"/> <atom id="GAMMA-BUTYROBETAINE-atom6" elementType="C" x2="-0.0013679266" y2="-0.62517095"/> <atom id="GAMMA-BUTYROBETAINE-atom7" elementType="C" x2="-0.6716826" y2="-0.25034195"/> <atom id="GAMMA-BUTYROBETAINE-atom8" elementType="C" x2="-1.0" y2="-0.8112175"/> <atom id="GAMMA-BUTYROBETAINE-atom9" elementType="C" x2="-0.6716826" y2="-1.0"/> <atom id="GAMMA-BUTYROBETAINE-atom10" elementType="C" x2="0.6744187" y2="-0.62517095"/> <bond id="GAMMA-BUTYROBETAINE-bond1" atomRefs="GAMMA-BUTYROBETAINE-atom9 GAMMA-BUTYROBETAINE-atom4" order="1"/> <bond id="GAMMA-BUTYROBETAINE-bond2" atomRefs="GAMMA-BUTYROBETAINE-atom8 GAMMA-BUTYROBETAINE-atom4" order="1"/> <bond id="GAMMA-BUTYROBETAINE-bond3" atomRefs="GAMMA-BUTYROBETAINE-atom7 GAMMA-BUTYROBETAINE-atom4" order="1"/> <bond id="GAMMA-BUTYROBETAINE-bond4" atomRefs="GAMMA-BUTYROBETAINE-atom6 GAMMA-BUTYROBETAINE-atom5" order="1"/> <bond id="GAMMA-BUTYROBETAINE-bond5" atomRefs="GAMMA-BUTYROBETAINE-atom5 GAMMA-BUTYROBETAINE-atom10" order="1"/> <bond id="GAMMA-BUTYROBETAINE-bond6" atomRefs="GAMMA-BUTYROBETAINE-atom4 GAMMA-BUTYROBETAINE-atom3" order="1"/> <bond id="GAMMA-BUTYROBETAINE-bond7" atomRefs="GAMMA-BUTYROBETAINE-atom3 GAMMA-BUTYROBETAINE-atom6" order="1"/> <bond id="GAMMA-BUTYROBETAINE-bond8" atomRefs="GAMMA-BUTYROBETAINE-atom2 GAMMA-BUTYROBETAINE-atom10" order="2"/> <bond id="GAMMA-BUTYROBETAINE-bond9" atomRefs="GAMMA-BUTYROBETAINE-atom1 GAMMA-BUTYROBETAINE-atom10" order="1"/> <formula concise="C 7 H 15 N 1 O 2" formalCharge="0"/> 145.201 C([N+](C)(C)C)CCC(=O)[O-]
<atom id="CARNITINE-atom1" elementType="C" x2="6.1449" y2="-2.7693"/> <atom id="CARNITINE-atom2" elementType="C" x2="7.3438" y2="-2.0667"/> <atom id="CARNITINE-atom3" elementType="C" x2="6.1449" y2="0.0"/> <atom id="CARNITINE-atom4" elementType="O" x2="1.1849" y2="0.0"/> <atom id="CARNITINE-atom5" elementType="O" x2="3.6651" y2="0.0"/> <atom id="CARNITINE-atom6" elementType="O" x2="0.0" y2="-2.0803" formalCharge="-1"/> <atom id="CARNITINE-atom7" elementType="C" x2="2.4386" y2="-2.0943"/> <atom id="CARNITINE-atom8" elementType="C" x2="4.9048" y2="-2.0943"/> <atom id="CARNITINE-atom9" elementType="C" x2="1.1849" y2="-1.3917"/> <atom id="CARNITINE-atom10" elementType="C" x2="3.6651" y2="-1.3917"/> <atom id="CARNITINE-atom11" elementType="N" x2="6.1449" y2="-1.3917" formalCharge="1"/> <bond id="CARNITINE-bond1" atomRefs="CARNITINE-atom8 CARNITINE-atom11" order="1"/> <bond id="CARNITINE-bond2" atomRefs="CARNITINE-atom8 CARNITINE-atom10" order="1"/> <bond id="CARNITINE-bond3" atomRefs="CARNITINE-atom7 CARNITINE-atom10" order="1"/> <bond id="CARNITINE-bond4" atomRefs="CARNITINE-atom7 CARNITINE-atom9" order="1"/> <bond id="CARNITINE-bond5" atomRefs="CARNITINE-atom6 CARNITINE-atom9" order="1"/> <bond id="CARNITINE-bond6" atomRefs="CARNITINE-atom10 CARNITINE-atom5" order="1"/> <bond id="CARNITINE-bond7" atomRefs="CARNITINE-atom4 CARNITINE-atom9" order="2"/> <bond id="CARNITINE-bond8" atomRefs="CARNITINE-atom3 CARNITINE-atom11" order="1"/> <bond id="CARNITINE-bond9" atomRefs="CARNITINE-atom2 CARNITINE-atom11" order="1"/> <bond id="CARNITINE-bond10" atomRefs="CARNITINE-atom1 CARNITINE-atom11" order="1"/> <formula concise="C 7 H 15 N 1 O 3" formalCharge="0"/> 161.2 C([N+](C)(C)C)C(O)CC([O-])=O Ammonium, (3-carboxy-2-hydroxypropyl)trimethyl-, hydroxide,inner salt
γ-butyrobetaine,2-oxoglutarate dioxygenase
<atom id="PELARGONIDIN-CMPD-atom1" elementType="C" x2="-0.3359375" y2="0.22916663"/> <atom id="PELARGONIDIN-CMPD-atom2" elementType="C" x2="0.11458337" y2="0.48697913"/> <atom id="PELARGONIDIN-CMPD-atom3" elementType="C" x2="-0.5598958" y2="0.6171875"/> <atom id="PELARGONIDIN-CMPD-atom4" elementType="C" x2="-0.5598958" y2="0.1015625"/> <atom id="PELARGONIDIN-CMPD-atom5" elementType="C" x2="-0.3359375" y2="0.48697913"/> <atom id="PELARGONIDIN-CMPD-atom6" elementType="C" x2="0.5546875" y2="0.48697913"/> <atom id="PELARGONIDIN-CMPD-atom7" elementType="C" x2="0.5546875" y2="1.0"/> <atom id="PELARGONIDIN-CMPD-atom8" elementType="C" x2="0.3359375" y2="0.6171875"/> <atom id="PELARGONIDIN-CMPD-atom9" elementType="C" x2="0.77604175" y2="0.6119791"/> <atom id="PELARGONIDIN-CMPD-atom10" elementType="C" x2="0.3359375" y2="0.8697916"/> <atom id="PELARGONIDIN-CMPD-atom11" elementType="C" x2="-0.11458331" y2="0.09635413"/> <atom id="PELARGONIDIN-CMPD-atom12" elementType="O" x2="0.9973959" y2="0.9973958"/> <atom id="PELARGONIDIN-CMPD-atom13" elementType="O" x2="-0.5598958" y2="-0.15364587"/> <atom id="PELARGONIDIN-CMPD-atom14" elementType="C" x2="0.109375" y2="0.2265625"/> <atom id="PELARGONIDIN-CMPD-atom15" elementType="O" x2="0.33072925" y2="0.1015625"/> <atom id="PELARGONIDIN-CMPD-atom16" elementType="C" x2="-0.7786458" y2="0.22916663"/> <atom id="PELARGONIDIN-CMPD-atom17" elementType="C" x2="0.77604175" y2="0.8671875"/> <atom id="PELARGONIDIN-CMPD-atom18" elementType="O" x2="-0.11197913" y2="0.6171875"/> <atom id="PELARGONIDIN-CMPD-atom19" elementType="C" x2="-0.7786458" y2="0.48697913"/> <atom id="PELARGONIDIN-CMPD-atom20" elementType="O" x2="-1.0" y2="0.6119791"/> <bond id="PELARGONIDIN-CMPD-bond1" atomRefs="PELARGONIDIN-CMPD-atom19 PELARGONIDIN-CMPD-atom20" order="1"/> <bond id="PELARGONIDIN-CMPD-bond2" atomRefs="PELARGONIDIN-CMPD-atom19 PELARGONIDIN-CMPD-atom16" order="A"/> <bond id="PELARGONIDIN-CMPD-bond3" atomRefs="PELARGONIDIN-CMPD-atom18 PELARGONIDIN-CMPD-atom2" order="2"/> <bond id="PELARGONIDIN-CMPD-bond4" atomRefs="PELARGONIDIN-CMPD-atom17 PELARGONIDIN-CMPD-atom12" order="1"/> <bond id="PELARGONIDIN-CMPD-bond5" atomRefs="PELARGONIDIN-CMPD-atom17 PELARGONIDIN-CMPD-atom7" order="A"/> <bond id="PELARGONIDIN-CMPD-bond6" atomRefs="PELARGONIDIN-CMPD-atom16 PELARGONIDIN-CMPD-atom4" order="A"/> <bond id="PELARGONIDIN-CMPD-bond7" atomRefs="PELARGONIDIN-CMPD-atom14 PELARGONIDIN-CMPD-atom15" order="1"/> <bond id="PELARGONIDIN-CMPD-bond8" atomRefs="PELARGONIDIN-CMPD-atom14 PELARGONIDIN-CMPD-atom11" order="2"/> <bond id="PELARGONIDIN-CMPD-bond9" atomRefs="PELARGONIDIN-CMPD-atom11 PELARGONIDIN-CMPD-atom1" order="1"/> <bond id="PELARGONIDIN-CMPD-bond10" atomRefs="PELARGONIDIN-CMPD-atom10 PELARGONIDIN-CMPD-atom8" order="A"/> <bond id="PELARGONIDIN-CMPD-bond11" atomRefs="PELARGONIDIN-CMPD-atom9 PELARGONIDIN-CMPD-atom17" order="A"/> <bond id="PELARGONIDIN-CMPD-bond12" atomRefs="PELARGONIDIN-CMPD-atom8 PELARGONIDIN-CMPD-atom6" order="A"/> <bond id="PELARGONIDIN-CMPD-bond13" atomRefs="PELARGONIDIN-CMPD-atom7 PELARGONIDIN-CMPD-atom10" order="A"/> <bond id="PELARGONIDIN-CMPD-bond14" atomRefs="PELARGONIDIN-CMPD-atom6 PELARGONIDIN-CMPD-atom9" order="A"/> <bond id="PELARGONIDIN-CMPD-bond15" atomRefs="PELARGONIDIN-CMPD-atom5 PELARGONIDIN-CMPD-atom18" order="1"/> <bond id="PELARGONIDIN-CMPD-bond16" atomRefs="PELARGONIDIN-CMPD-atom5 PELARGONIDIN-CMPD-atom3" order="A"/> <bond id="PELARGONIDIN-CMPD-bond17" atomRefs="PELARGONIDIN-CMPD-atom4 PELARGONIDIN-CMPD-atom13" order="1"/> <bond id="PELARGONIDIN-CMPD-bond18" atomRefs="PELARGONIDIN-CMPD-atom4 PELARGONIDIN-CMPD-atom1" order="A"/> <bond id="PELARGONIDIN-CMPD-bond19" atomRefs="PELARGONIDIN-CMPD-atom3 PELARGONIDIN-CMPD-atom19" order="A"/> <bond id="PELARGONIDIN-CMPD-bond20" atomRefs="PELARGONIDIN-CMPD-atom2 PELARGONIDIN-CMPD-atom8" order="1"/> <bond id="PELARGONIDIN-CMPD-bond21" atomRefs="PELARGONIDIN-CMPD-atom2 PELARGONIDIN-CMPD-atom14" order="1"/> <bond id="PELARGONIDIN-CMPD-bond22" atomRefs="PELARGONIDIN-CMPD-atom1 PELARGONIDIN-CMPD-atom5" order="A"/> <formula concise="C 15 H 11 O 5" formalCharge="0"/> 271.249 c12(c(cc(O)cc(O)1)O=C(C(O)=C2)c3(ccc(O)cc3))
3,5,7-Trihydroxy-2-(4-hydroxyphenil)-1-benzopyrylium chloride
3,5,7-trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride
1-Benzopyrylium, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-, chloride
Flavylium, 3,4',5,7-tetrahydroxy-, chloride
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id="ALPHA-METHYL-5-ALPHA-ERGOSTA-atom23" elementType="H" x2="3.777" y2="2.9563"/> <atom id="ALPHA-METHYL-5-ALPHA-ERGOSTA-atom24" elementType="C" x2="3.0625" y2="2.5438"/> <atom id="ALPHA-METHYL-5-ALPHA-ERGOSTA-atom25" elementType="C" x2="3.0375" y2="3.3833"/> <atom id="ALPHA-METHYL-5-ALPHA-ERGOSTA-atom26" elementType="C" x2="9.1585" y2="-0.5115"/> <atom id="ALPHA-METHYL-5-ALPHA-ERGOSTA-atom27" elementType="C" x2="9.4736" y2="-1.274"/> <atom id="ALPHA-METHYL-5-ALPHA-ERGOSTA-atom28" elementType="C" x2="5.9204" y2="0.0687"/> <atom id="ALPHA-METHYL-5-ALPHA-ERGOSTA-atom29" elementType="C" x2="5.9204" y2="0.8937"/> <atom id="ALPHA-METHYL-5-ALPHA-ERGOSTA-atom30" elementType="C" x2="6.705" y2="1.1486"/> <atom id="ALPHA-METHYL-5-ALPHA-ERGOSTA-atom31" elementType="C" x2="7.1899" y2="0.4812"/> <bond id="ALPHA-METHYL-5-ALPHA-ERGOSTA-bond1" atomRefs="ALPHA-METHYL-5-ALPHA-ERGOSTA-atom28 ALPHA-METHYL-5-ALPHA-ERGOSTA-atom29" order="1"/> <bond id="ALPHA-METHYL-5-ALPHA-ERGOSTA-bond2" atomRefs="ALPHA-METHYL-5-ALPHA-ERGOSTA-atom30 ALPHA-METHYL-5-ALPHA-ERGOSTA-atom31" order="1"/> <bond id="ALPHA-METHYL-5-ALPHA-ERGOSTA-bond3" atomRefs="ALPHA-METHYL-5-ALPHA-ERGOSTA-atom30 ALPHA-METHYL-5-ALPHA-ERGOSTA-atom29" order="2"/> <bond id="ALPHA-METHYL-5-ALPHA-ERGOSTA-bond4" atomRefs="ALPHA-METHYL-5-ALPHA-ERGOSTA-atom9 ALPHA-METHYL-5-ALPHA-ERGOSTA-atom31" order="1"/> <bond id="ALPHA-METHYL-5-ALPHA-ERGOSTA-bond5" atomRefs="ALPHA-METHYL-5-ALPHA-ERGOSTA-atom9 ALPHA-METHYL-5-ALPHA-ERGOSTA-atom28" order="1"/> <bond id="ALPHA-METHYL-5-ALPHA-ERGOSTA-bond6" atomRefs="ALPHA-METHYL-5-ALPHA-ERGOSTA-atom26 ALPHA-METHYL-5-ALPHA-ERGOSTA-atom27" order="2"/> <bond id="ALPHA-METHYL-5-ALPHA-ERGOSTA-bond7" atomRefs="ALPHA-METHYL-5-ALPHA-ERGOSTA-atom24 ALPHA-METHYL-5-ALPHA-ERGOSTA-atom25" order="1"/> <bond id="ALPHA-METHYL-5-ALPHA-ERGOSTA-bond8" atomRefs="ALPHA-METHYL-5-ALPHA-ERGOSTA-atom22 ALPHA-METHYL-5-ALPHA-ERGOSTA-atom23" order="1"/> <bond id="ALPHA-METHYL-5-ALPHA-ERGOSTA-bond9" atomRefs="ALPHA-METHYL-5-ALPHA-ERGOSTA-atom19 ALPHA-METHYL-5-ALPHA-ERGOSTA-atom20" order="1"/> <bond id="ALPHA-METHYL-5-ALPHA-ERGOSTA-bond10" atomRefs="ALPHA-METHYL-5-ALPHA-ERGOSTA-atom17 ALPHA-METHYL-5-ALPHA-ERGOSTA-atom18" order="1"/> <bond id="ALPHA-METHYL-5-ALPHA-ERGOSTA-bond11" atomRefs="ALPHA-METHYL-5-ALPHA-ERGOSTA-atom28 ALPHA-METHYL-5-ALPHA-ERGOSTA-atom16" order="1"/> <bond id="ALPHA-METHYL-5-ALPHA-ERGOSTA-bond12" atomRefs="ALPHA-METHYL-5-ALPHA-ERGOSTA-atom14 ALPHA-METHYL-5-ALPHA-ERGOSTA-atom15" order="1"/> <bond id="ALPHA-METHYL-5-ALPHA-ERGOSTA-bond13" atomRefs="ALPHA-METHYL-5-ALPHA-ERGOSTA-atom13 ALPHA-METHYL-5-ALPHA-ERGOSTA-atom12" order="1"/> <bond id="ALPHA-METHYL-5-ALPHA-ERGOSTA-bond14" atomRefs="ALPHA-METHYL-5-ALPHA-ERGOSTA-atom11 ALPHA-METHYL-5-ALPHA-ERGOSTA-atom13" order="1"/> <bond id="ALPHA-METHYL-5-ALPHA-ERGOSTA-bond15" atomRefs="ALPHA-METHYL-5-ALPHA-ERGOSTA-atom26 ALPHA-METHYL-5-ALPHA-ERGOSTA-atom13" order="1"/> <bond id="ALPHA-METHYL-5-ALPHA-ERGOSTA-bond16" atomRefs="ALPHA-METHYL-5-ALPHA-ERGOSTA-atom26 ALPHA-METHYL-5-ALPHA-ERGOSTA-atom10" order="1"/> <bond id="ALPHA-METHYL-5-ALPHA-ERGOSTA-bond17" atomRefs="ALPHA-METHYL-5-ALPHA-ERGOSTA-atom21 ALPHA-METHYL-5-ALPHA-ERGOSTA-atom10" order="1"/> <bond id="ALPHA-METHYL-5-ALPHA-ERGOSTA-bond18" atomRefs="ALPHA-METHYL-5-ALPHA-ERGOSTA-atom21 ALPHA-METHYL-5-ALPHA-ERGOSTA-atom17" order="1"/> <bond id="ALPHA-METHYL-5-ALPHA-ERGOSTA-bond19" atomRefs="ALPHA-METHYL-5-ALPHA-ERGOSTA-atom17 ALPHA-METHYL-5-ALPHA-ERGOSTA-atom9" order="1"/> <bond id="ALPHA-METHYL-5-ALPHA-ERGOSTA-bond20" atomRefs="ALPHA-METHYL-5-ALPHA-ERGOSTA-atom7 ALPHA-METHYL-5-ALPHA-ERGOSTA-atom28" order="1"/> <bond id="ALPHA-METHYL-5-ALPHA-ERGOSTA-bond21" atomRefs="ALPHA-METHYL-5-ALPHA-ERGOSTA-atom7 ALPHA-METHYL-5-ALPHA-ERGOSTA-atom8" order="1"/> <bond id="ALPHA-METHYL-5-ALPHA-ERGOSTA-bond22" atomRefs="ALPHA-METHYL-5-ALPHA-ERGOSTA-atom8 ALPHA-METHYL-5-ALPHA-ERGOSTA-atom6" order="1"/> <bond id="ALPHA-METHYL-5-ALPHA-ERGOSTA-bond23" atomRefs="ALPHA-METHYL-5-ALPHA-ERGOSTA-atom6 ALPHA-METHYL-5-ALPHA-ERGOSTA-atom5" order="2"/> <bond id="ALPHA-METHYL-5-ALPHA-ERGOSTA-bond24" atomRefs="ALPHA-METHYL-5-ALPHA-ERGOSTA-atom5 ALPHA-METHYL-5-ALPHA-ERGOSTA-atom29" order="1"/> <bond id="ALPHA-METHYL-5-ALPHA-ERGOSTA-bond25" atomRefs="ALPHA-METHYL-5-ALPHA-ERGOSTA-atom4 ALPHA-METHYL-5-ALPHA-ERGOSTA-atom5" order="1"/> <bond id="ALPHA-METHYL-5-ALPHA-ERGOSTA-bond26" atomRefs="ALPHA-METHYL-5-ALPHA-ERGOSTA-atom3 ALPHA-METHYL-5-ALPHA-ERGOSTA-atom4" order="1"/> <bond id="ALPHA-METHYL-5-ALPHA-ERGOSTA-bond27" atomRefs="ALPHA-METHYL-5-ALPHA-ERGOSTA-atom22 ALPHA-METHYL-5-ALPHA-ERGOSTA-atom3" order="1"/> <bond id="ALPHA-METHYL-5-ALPHA-ERGOSTA-bond28" atomRefs="ALPHA-METHYL-5-ALPHA-ERGOSTA-atom14 ALPHA-METHYL-5-ALPHA-ERGOSTA-atom22" order="1"/> <bond id="ALPHA-METHYL-5-ALPHA-ERGOSTA-bond29" atomRefs="ALPHA-METHYL-5-ALPHA-ERGOSTA-atom6 ALPHA-METHYL-5-ALPHA-ERGOSTA-atom14" order="1"/> <bond id="ALPHA-METHYL-5-ALPHA-ERGOSTA-bond30" atomRefs="ALPHA-METHYL-5-ALPHA-ERGOSTA-atom24 ALPHA-METHYL-5-ALPHA-ERGOSTA-atom22" order="1"/> <bond id="ALPHA-METHYL-5-ALPHA-ERGOSTA-bond31" atomRefs="ALPHA-METHYL-5-ALPHA-ERGOSTA-atom19 ALPHA-METHYL-5-ALPHA-ERGOSTA-atom24" order="1"/> <bond id="ALPHA-METHYL-5-ALPHA-ERGOSTA-bond32" atomRefs="ALPHA-METHYL-5-ALPHA-ERGOSTA-atom2 ALPHA-METHYL-5-ALPHA-ERGOSTA-atom19" order="1"/> <bond id="ALPHA-METHYL-5-ALPHA-ERGOSTA-bond33" atomRefs="ALPHA-METHYL-5-ALPHA-ERGOSTA-atom1 ALPHA-METHYL-5-ALPHA-ERGOSTA-atom14" order="1"/> <bond id="ALPHA-METHYL-5-ALPHA-ERGOSTA-bond34" atomRefs="ALPHA-METHYL-5-ALPHA-ERGOSTA-atom1 ALPHA-METHYL-5-ALPHA-ERGOSTA-atom2" order="1"/> <formula concise="C 29 H 46 O 1" formalCharge="0"/> 410.682 CC(C)C(=C)CCC(C)C1(C2(C)(C(=CC1)C3(=C(CC2)C4([CH](CC3)C(C)C(O)CC4)(C))))
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<atom id="L-KYNURENINE-atom1" elementType="N" x2="3.5668" y2="-4.409"/> <atom id="L-KYNURENINE-atom2" elementType="N" x2="6.1065" y2="0.0"/> <atom id="L-KYNURENINE-atom3" elementType="O" x2="7.2622" y2="-3.5672"/> <atom id="L-KYNURENINE-atom4" elementType="O" x2="3.5954" y2="-0.1858"/> <atom id="L-KYNURENINE-atom5" elementType="O" x2="8.6461" y2="-2.1833"/> <atom id="L-KYNURENINE-atom6" elementType="C" x2="0.0" y2="-3.6668"/> <atom id="L-KYNURENINE-atom7" elementType="C" x2="0.0" y2="-2.2686"/> <atom id="L-KYNURENINE-atom8" elementType="C" x2="1.1843" y2="-4.3519"/> <atom id="L-KYNURENINE-atom9" elementType="C" x2="1.1843" y2="-1.5697"/> <atom id="L-KYNURENINE-atom10" elementType="C" x2="4.794" y2="-2.2686"/> <atom id="L-KYNURENINE-atom11" elementType="C" x2="7.2622" y2="-2.1833"/> <atom id="L-KYNURENINE-atom12" elementType="C" x2="3.5954" y2="-1.5697"/> <atom id="L-KYNURENINE-atom13" elementType="C" x2="2.3968" y2="-3.6668"/> <atom id="L-KYNURENINE-atom14" elementType="C" x2="2.3968" y2="-2.2686"/> <atom id="L-KYNURENINE-atom15" elementType="C" x2="6.1065" y2="-1.3844"/> <bond id="L-KYNURENINE-bond1" atomRefs="L-KYNURENINE-atom13 L-KYNURENINE-atom14" order="A"/> <bond id="L-KYNURENINE-bond2" atomRefs="L-KYNURENINE-atom12 L-KYNURENINE-atom14" order="1"/> <bond id="L-KYNURENINE-bond3" atomRefs="L-KYNURENINE-atom11 L-KYNURENINE-atom15" order="1"/> <bond id="L-KYNURENINE-bond4" atomRefs="L-KYNURENINE-atom10 L-KYNURENINE-atom15" order="1"/> <bond id="L-KYNURENINE-bond5" atomRefs="L-KYNURENINE-atom10 L-KYNURENINE-atom12" order="1"/> <bond id="L-KYNURENINE-bond6" atomRefs="L-KYNURENINE-atom14 L-KYNURENINE-atom9" order="A"/> <bond id="L-KYNURENINE-bond7" atomRefs="L-KYNURENINE-atom8 L-KYNURENINE-atom13" order="A"/> <bond id="L-KYNURENINE-bond8" atomRefs="L-KYNURENINE-atom9 L-KYNURENINE-atom7" order="A"/> <bond id="L-KYNURENINE-bond9" atomRefs="L-KYNURENINE-atom6 L-KYNURENINE-atom8" order="A"/> <bond id="L-KYNURENINE-bond10" atomRefs="L-KYNURENINE-atom7 L-KYNURENINE-atom6" order="A"/> <bond id="L-KYNURENINE-bond11" atomRefs="L-KYNURENINE-atom5 L-KYNURENINE-atom11" order="1"/> <bond id="L-KYNURENINE-bond12" atomRefs="L-KYNURENINE-atom4 L-KYNURENINE-atom12" order="2"/> <bond id="L-KYNURENINE-bond13" atomRefs="L-KYNURENINE-atom3 L-KYNURENINE-atom11" order="2"/> <bond id="L-KYNURENINE-bond14" atomRefs="L-KYNURENINE-atom2 L-KYNURENINE-atom15" order="1"/> <bond id="L-KYNURENINE-bond15" atomRefs="L-KYNURENINE-atom1 L-KYNURENINE-atom13" order="1"/> <formula concise="C 10 H 12 N 2 O 3" formalCharge="0"/> 208.216 C(=O)(O)C(N)CC(=O)c1(c(N)cccc1)
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<atom id="OLEATE-CPD-atom1" elementType="C" x2="-0.35802472" y2="1.0"/> <atom id="OLEATE-CPD-atom2" elementType="O" x2="-1.0" y2="1.0"/> <atom id="OLEATE-CPD-atom3" elementType="C" x2="-0.14638448" y2="1.0"/> <atom id="OLEATE-CPD-atom4" elementType="C" x2="0.319224" y2="0.9118166"/> <atom id="OLEATE-CPD-atom5" elementType="C" x2="0.52733684" y2="0.9118166"/> <atom id="OLEATE-CPD-atom6" elementType="C" x2="0.7319224" y2="0.9118166"/> <atom id="OLEATE-CPD-atom7" elementType="C" x2="0.9964726" y2="0.9118166"/> <atom id="OLEATE-CPD-atom8" elementType="C" x2="0.13580239" y2="0.9118166"/> <atom id="OLEATE-CPD-atom9" elementType="C" x2="-0.57319224" y2="1.0"/> <atom id="OLEATE-CPD-atom10" elementType="O" x2="-0.8941799" y2="0.73544973"/> <atom id="OLEATE-CPD-atom11" elementType="C" x2="-0.78835976" y2="1.0"/> <atom id="OLEATE-CPD-atom12" elementType="C" x2="-0.67901236" y2="0.9118166"/> <atom id="OLEATE-CPD-atom13" elementType="C" x2="-0.46737218" y2="0.9118166"/> <atom id="OLEATE-CPD-atom14" elementType="C" x2="-0.2522046" y2="0.9118166"/> <atom id="OLEATE-CPD-atom15" elementType="C" x2="0.23809516" y2="1.0"/> <atom id="OLEATE-CPD-atom16" elementType="C" x2="-0.037037075" y2="0.9118166"/> <atom id="OLEATE-CPD-atom17" elementType="C" x2="0.43915343" y2="1.0"/> <atom id="OLEATE-CPD-atom18" elementType="C" x2="0.643739" y2="1.0"/> <atom id="OLEATE-CPD-atom19" elementType="C" x2="0.88007045" y2="1.0"/> <atom id="OLEATE-CPD-atom20" elementType="C" x2="-0.8941799" y2="0.9118166"/> <bond id="OLEATE-CPD-bond1" atomRefs="OLEATE-CPD-atom20 OLEATE-CPD-atom2" order="2"/> <bond id="OLEATE-CPD-bond2" atomRefs="OLEATE-CPD-atom20 OLEATE-CPD-atom10" order="1"/> <bond id="OLEATE-CPD-bond3" atomRefs="OLEATE-CPD-atom19 OLEATE-CPD-atom7" order="1"/> <bond id="OLEATE-CPD-bond4" atomRefs="OLEATE-CPD-atom18 OLEATE-CPD-atom6" order="1"/> <bond id="OLEATE-CPD-bond5" atomRefs="OLEATE-CPD-atom17 OLEATE-CPD-atom5" order="1"/> <bond id="OLEATE-CPD-bond6" atomRefs="OLEATE-CPD-atom16 OLEATE-CPD-atom8" order="2"/> <bond id="OLEATE-CPD-bond7" atomRefs="OLEATE-CPD-atom15 OLEATE-CPD-atom4" order="1"/> <bond id="OLEATE-CPD-bond8" atomRefs="OLEATE-CPD-atom14 OLEATE-CPD-atom3" order="1"/> <bond id="OLEATE-CPD-bond9" atomRefs="OLEATE-CPD-atom13 OLEATE-CPD-atom1" order="1"/> <bond id="OLEATE-CPD-bond10" atomRefs="OLEATE-CPD-atom12 OLEATE-CPD-atom9" order="1"/> <bond id="OLEATE-CPD-bond11" atomRefs="OLEATE-CPD-atom11 OLEATE-CPD-atom20" order="1"/> <bond id="OLEATE-CPD-bond12" atomRefs="OLEATE-CPD-atom11 OLEATE-CPD-atom12" order="1"/> <bond id="OLEATE-CPD-bond13" atomRefs="OLEATE-CPD-atom9 OLEATE-CPD-atom13" order="1"/> <bond id="OLEATE-CPD-bond14" atomRefs="OLEATE-CPD-atom8 OLEATE-CPD-atom15" order="1"/> <bond id="OLEATE-CPD-bond15" atomRefs="OLEATE-CPD-atom6 OLEATE-CPD-atom19" order="1"/> <bond id="OLEATE-CPD-bond16" atomRefs="OLEATE-CPD-atom5 OLEATE-CPD-atom18" order="1"/> <bond id="OLEATE-CPD-bond17" atomRefs="OLEATE-CPD-atom4 OLEATE-CPD-atom17" order="1"/> <bond id="OLEATE-CPD-bond18" atomRefs="OLEATE-CPD-atom3 OLEATE-CPD-atom16" order="1"/> <bond id="OLEATE-CPD-bond19" atomRefs="OLEATE-CPD-atom1 OLEATE-CPD-atom14" order="1"/> <formula concise="C 18 H 34 O 2" formalCharge="0"/> 282.465 CCCCCCCCC=CCCCCCCCC(=O)O
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order="1"/> <bond id="ENT-KAUR-16-EN-19-AL-bond2" atomRefs="ENT-KAUR-16-EN-19-AL-atom20 ENT-KAUR-16-EN-19-AL-atom22" order="1"/> <bond id="ENT-KAUR-16-EN-19-AL-bond3" atomRefs="ENT-KAUR-16-EN-19-AL-atom19 ENT-KAUR-16-EN-19-AL-atom22" order="1"/> <bond id="ENT-KAUR-16-EN-19-AL-bond4" atomRefs="ENT-KAUR-16-EN-19-AL-atom19 ENT-KAUR-16-EN-19-AL-atom21" order="1"/> <bond id="ENT-KAUR-16-EN-19-AL-bond5" atomRefs="ENT-KAUR-16-EN-19-AL-atom18 ENT-KAUR-16-EN-19-AL-atom17" order="1"/> <bond id="ENT-KAUR-16-EN-19-AL-bond6" atomRefs="ENT-KAUR-16-EN-19-AL-atom16 ENT-KAUR-16-EN-19-AL-atom23" order="1"/> <bond id="ENT-KAUR-16-EN-19-AL-bond7" atomRefs="ENT-KAUR-16-EN-19-AL-atom16 ENT-KAUR-16-EN-19-AL-atom18" order="1"/> <bond id="ENT-KAUR-16-EN-19-AL-bond8" atomRefs="ENT-KAUR-16-EN-19-AL-atom23 ENT-KAUR-16-EN-19-AL-atom15" order="1"/> <bond id="ENT-KAUR-16-EN-19-AL-bond9" atomRefs="ENT-KAUR-16-EN-19-AL-atom15 ENT-KAUR-16-EN-19-AL-atom17" order="1"/> <bond id="ENT-KAUR-16-EN-19-AL-bond10" atomRefs="ENT-KAUR-16-EN-19-AL-atom14 ENT-KAUR-16-EN-19-AL-atom23" order="1"/> <bond id="ENT-KAUR-16-EN-19-AL-bond11" atomRefs="ENT-KAUR-16-EN-19-AL-atom13 ENT-KAUR-16-EN-19-AL-atom19" order="1"/> <bond id="ENT-KAUR-16-EN-19-AL-bond12" atomRefs="ENT-KAUR-16-EN-19-AL-atom13 ENT-KAUR-16-EN-19-AL-atom14" order="1"/> <bond id="ENT-KAUR-16-EN-19-AL-bond13" atomRefs="ENT-KAUR-16-EN-19-AL-atom12 ENT-KAUR-16-EN-19-AL-atom20" order="1"/> <bond id="ENT-KAUR-16-EN-19-AL-bond14" atomRefs="ENT-KAUR-16-EN-19-AL-atom11 ENT-KAUR-16-EN-19-AL-atom22" order="1"/> <bond id="ENT-KAUR-16-EN-19-AL-bond15" atomRefs="ENT-KAUR-16-EN-19-AL-atom10 ENT-KAUR-16-EN-19-AL-atom21" order="1"/> <bond id="ENT-KAUR-16-EN-19-AL-bond16" atomRefs="ENT-KAUR-16-EN-19-AL-atom9 ENT-KAUR-16-EN-19-AL-atom18" order="1"/> <bond id="ENT-KAUR-16-EN-19-AL-bond17" atomRefs="ENT-KAUR-16-EN-19-AL-atom9 ENT-KAUR-16-EN-19-AL-atom12" order="1"/> <bond id="ENT-KAUR-16-EN-19-AL-bond18" atomRefs="ENT-KAUR-16-EN-19-AL-atom8 ENT-KAUR-16-EN-19-AL-atom11" order="1"/> <bond id="ENT-KAUR-16-EN-19-AL-bond19" atomRefs="ENT-KAUR-16-EN-19-AL-atom8 ENT-KAUR-16-EN-19-AL-atom10" order="1"/> <bond id="ENT-KAUR-16-EN-19-AL-bond20" atomRefs="ENT-KAUR-16-EN-19-AL-atom21 ENT-KAUR-16-EN-19-AL-atom7" order="1"/> <bond id="ENT-KAUR-16-EN-19-AL-bond21" atomRefs="ENT-KAUR-16-EN-19-AL-atom6 ENT-KAUR-16-EN-19-AL-atom7" order="2"/> <bond id="ENT-KAUR-16-EN-19-AL-bond22" atomRefs="ENT-KAUR-16-EN-19-AL-atom22 ENT-KAUR-16-EN-19-AL-atom5" order="1"/> <bond id="ENT-KAUR-16-EN-19-AL-bond23" atomRefs="ENT-KAUR-16-EN-19-AL-atom21 ENT-KAUR-16-EN-19-AL-atom4" order="1"/> <bond id="ENT-KAUR-16-EN-19-AL-bond24" atomRefs="ENT-KAUR-16-EN-19-AL-atom3 ENT-KAUR-16-EN-19-AL-atom17" order="2"/> <bond id="ENT-KAUR-16-EN-19-AL-bond25" atomRefs="ENT-KAUR-16-EN-19-AL-atom20 ENT-KAUR-16-EN-19-AL-atom2" order="1"/> <bond id="ENT-KAUR-16-EN-19-AL-bond26" atomRefs="ENT-KAUR-16-EN-19-AL-atom19 ENT-KAUR-16-EN-19-AL-atom1" order="1"/> <formula concise="C 20 H 30 O 1" formalCharge="0"/> 286.456 C=C1(C2(CC3(C1)([CH](CC2)C4(C)([CH](CC3)C(C)(C=O)CCC4))))
131-hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester
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atomRefs="13-HYDROXY-MAGNESIUM-PROTOPORP-atom11 13-HYDROXY-MAGNESIUM-PROTOPORP-atom18" order="1"/> <bond id="13-HYDROXY-MAGNESIUM-PROTOPORP-bond34" atomRefs="13-HYDROXY-MAGNESIUM-PROTOPORP-atom11 13-HYDROXY-MAGNESIUM-PROTOPORP-atom12" order="A"/> <bond id="13-HYDROXY-MAGNESIUM-PROTOPORP-bond35" atomRefs="13-HYDROXY-MAGNESIUM-PROTOPORP-atom37 13-HYDROXY-MAGNESIUM-PROTOPORP-atom11" order="A"/> <bond id="13-HYDROXY-MAGNESIUM-PROTOPORP-bond36" atomRefs="13-HYDROXY-MAGNESIUM-PROTOPORP-atom10 13-HYDROXY-MAGNESIUM-PROTOPORP-atom20" order="1"/> <bond id="13-HYDROXY-MAGNESIUM-PROTOPORP-bond37" atomRefs="13-HYDROXY-MAGNESIUM-PROTOPORP-atom13 13-HYDROXY-MAGNESIUM-PROTOPORP-atom10" order="A"/> <bond id="13-HYDROXY-MAGNESIUM-PROTOPORP-bond38" atomRefs="13-HYDROXY-MAGNESIUM-PROTOPORP-atom10 13-HYDROXY-MAGNESIUM-PROTOPORP-atom37" order="A"/> <bond id="13-HYDROXY-MAGNESIUM-PROTOPORP-bond39" atomRefs="13-HYDROXY-MAGNESIUM-PROTOPORP-atom1 13-HYDROXY-MAGNESIUM-PROTOPORP-atom19" order="2"/> <bond id="13-HYDROXY-MAGNESIUM-PROTOPORP-bond40" atomRefs="13-HYDROXY-MAGNESIUM-PROTOPORP-atom8 13-HYDROXY-MAGNESIUM-PROTOPORP-atom20" order="2"/> <bond id="13-HYDROXY-MAGNESIUM-PROTOPORP-bond41" atomRefs="13-HYDROXY-MAGNESIUM-PROTOPORP-atom36 13-HYDROXY-MAGNESIUM-PROTOPORP-atom8" order="1"/> <bond id="13-HYDROXY-MAGNESIUM-PROTOPORP-bond42" atomRefs="13-HYDROXY-MAGNESIUM-PROTOPORP-atom7 13-HYDROXY-MAGNESIUM-PROTOPORP-atom9" order="1"/> <bond id="13-HYDROXY-MAGNESIUM-PROTOPORP-bond43" atomRefs="13-HYDROXY-MAGNESIUM-PROTOPORP-atom7 13-HYDROXY-MAGNESIUM-PROTOPORP-atom36" order="2"/> <bond id="13-HYDROXY-MAGNESIUM-PROTOPORP-bond44" atomRefs="13-HYDROXY-MAGNESIUM-PROTOPORP-atom6 13-HYDROXY-MAGNESIUM-PROTOPORP-atom7" order="1"/> <bond id="13-HYDROXY-MAGNESIUM-PROTOPORP-bond45" atomRefs="13-HYDROXY-MAGNESIUM-PROTOPORP-atom5 13-HYDROXY-MAGNESIUM-PROTOPORP-atom8" order="1"/> <bond id="13-HYDROXY-MAGNESIUM-PROTOPORP-bond46" atomRefs="13-HYDROXY-MAGNESIUM-PROTOPORP-atom5 13-HYDROXY-MAGNESIUM-PROTOPORP-atom6" order="2"/> <bond id="13-HYDROXY-MAGNESIUM-PROTOPORP-bond47" atomRefs="13-HYDROXY-MAGNESIUM-PROTOPORP-atom2 13-HYDROXY-MAGNESIUM-PROTOPORP-atom9" order="2"/> <bond id="13-HYDROXY-MAGNESIUM-PROTOPORP-bond48" atomRefs="13-HYDROXY-MAGNESIUM-PROTOPORP-atom3 13-HYDROXY-MAGNESIUM-PROTOPORP-atom4" order="A"/> <bond id="13-HYDROXY-MAGNESIUM-PROTOPORP-bond49" atomRefs="13-HYDROXY-MAGNESIUM-PROTOPORP-atom2 13-HYDROXY-MAGNESIUM-PROTOPORP-atom3" order="A"/> <bond id="13-HYDROXY-MAGNESIUM-PROTOPORP-bond50" atomRefs="13-HYDROXY-MAGNESIUM-PROTOPORP-atom39 13-HYDROXY-MAGNESIUM-PROTOPORP-atom2" order="A"/> <bond id="13-HYDROXY-MAGNESIUM-PROTOPORP-bond51" atomRefs="13-HYDROXY-MAGNESIUM-PROTOPORP-atom4 13-HYDROXY-MAGNESIUM-PROTOPORP-atom1" order="A"/> <bond id="13-HYDROXY-MAGNESIUM-PROTOPORP-bond52" atomRefs="13-HYDROXY-MAGNESIUM-PROTOPORP-atom1 13-HYDROXY-MAGNESIUM-PROTOPORP-atom39" order="A"/> <formula concise="C 35 H 34 N 4 O 5 MG 1" formalCharge="0"/> 614.982 Cc6(c(C(O)CC(=O)OC)c1(n7([Mg]35(n4(c(C=C2(C(C)=C(C(C=1)=N23)CCC(O)=O))c(C)c(C=C)c4C=C8(N5=C(C=c67)C(C=C)=C(C)8))))))
131-hydroxy-Mg-protoporphyrin IX 13-monomethyl ester
131-oxo-magnesium-protoporphyrin IX 13-monomethyl ester
<atom id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom1" elementType="C" x2="1.7047" y2="-0.0239"/> <atom id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom2" elementType="C" x2="0.8399" y2="0.9929"/> <atom id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom3" elementType="C" x2="1.6028" y2="1.307"/> <atom id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom4" elementType="C" x2="2.1372" y2="0.6786"/> <atom id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom5" elementType="C" x2="-1.903" y2="0.7977"/> <atom id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom6" elementType="C" x2="-1.3324" y2="1.3935"/> <atom id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom7" elementType="C" x2="-0.5894" y2="1.035"/> <atom id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom8" elementType="C" x2="-1.5126" y2="0.0709"/> <atom id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom9" elementType="C" x2="0.1374" y2="1.4254"/> <atom id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom10" elementType="C" x2="-1.5462" y2="-1.4915"/> <atom id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom11" elementType="C" x2="-0.6655" y2="-2.4945"/> <atom id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom12" elementType="C" x2="-1.4233" y2="-2.8206"/> <atom id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom13" elementType="C" x2="-1.9676" y2="-2.2008"/> <atom id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom14" elementType="C" x2="2.074" y2="-2.2559"/> <atom id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom15" elementType="C" x2="1.5129" y2="-2.8607"/> <atom id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom16" elementType="C" x2="0.7643" y2="-2.514"/> <atom id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom17" elementType="C" x2="1.6721" y2="-1.5354"/> <atom id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom18" elementType="C" x2="0.0438" y2="-2.9159"/> <atom id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom19" elementType="C" x2="2.0188" y2="-0.7868"/> <atom id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom20" elementType="C" x2="-1.8711" y2="-0.6722"/> <atom id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom21" elementType="C" x2="2.9598" y2="0.7416"/> <atom id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom22" elementType="C" x2="2.8931" y2="-2.3543"/> <atom id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom23" elementType="C" x2="3.2174" y2="-3.1129"/> <atom id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom24" elementType="C" x2="1.6724" y2="-3.6702"/> <atom id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom25" elementType="C" x2="-1.6048" y2="-3.6254"/> <atom id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom26" elementType="C" x2="-2.4298" y2="-3.6254"/> <atom id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom27" elementType="C" x2="-2.7891" y2="-2.2768"/> <atom id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom28" elementType="C" x2="-2.7204" y2="0.909"/> <atom id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom29" elementType="C" x2="-1.4791" y2="2.2054"/> <atom id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom30" elementType="C" x2="-2.2555" y2="2.4843"/> <atom id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom31" elementType="C" x2="-2.4022" y2="3.2961"/> <atom id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom32" elementType="C" x2="1.797" y2="2.1088"/> <atom id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom33" elementType="C" x2="2.5886" y2="2.3415"/> <atom id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom34" elementType="C" x2="2.7828" y2="3.1433"/> <atom id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom35" elementType="C" x2="3.7686" y2="4.1777"/> <atom id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom36" elementType="N" x2="-0.7007" y2="0.2176"/> <atom id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom37" elementType="N" x2="-0.7415" y2="-1.6731"/> <atom id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom38" elementType="N" x2="0.8627" y2="-1.6949"/> <atom id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom39" elementType="N" x2="0.9029" y2="0.1704"/> <atom id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom40" elementType="MG" x2="0.0937" y2="-0.7813"/> <atom id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom41" elementType="O" x2="-1.7725" y2="3.8291"/> <atom id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom42" elementType="O" x2="-3.1787" y2="3.575"/> <atom id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom43" elementType="O" x2="2.1856" y2="3.7124"/> <atom id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom44" elementType="O" x2="3.5743" y2="3.3759"/> <atom id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom45" elementType="O" x2="1.1998" y2="2.678"/> <bond id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-bond1" atomRefs="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom32 131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom45" order="2"/> <bond id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-bond2" atomRefs="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom38 131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom40" order="COORDINATION"/> <bond id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-bond3" atomRefs="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom36 131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom40" order="COORDINATION"/> <bond id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-bond4" atomRefs="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom39 131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom40" order="1"/> <bond id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-bond5" atomRefs="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom37 131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom40" order="1"/> <bond id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-bond6" atomRefs="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom44 131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom35" order="1"/> <bond id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-bond7" atomRefs="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom34 131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom43" order="2"/> <bond id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-bond8" atomRefs="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom34 131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom44" order="1"/> <bond id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-bond9" atomRefs="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom33 131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom34" order="1"/> <bond id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-bond10" atomRefs="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom32 131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom33" order="1"/> <bond id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-bond11" atomRefs="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom31 131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom42" order="1"/> <bond id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-bond12" atomRefs="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom31 131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom41" order="2"/> <bond id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-bond13" atomRefs="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom30 131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom31" order="1"/> <bond id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-bond14" atomRefs="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom29 131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom30" order="1"/> <bond id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-bond15" atomRefs="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom6 131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom29" order="1"/> <bond id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-bond16" atomRefs="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom5 131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom28" order="1"/> <bond id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-bond17" atomRefs="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom13 131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom27" order="1"/> <bond id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-bond18" atomRefs="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom25 131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom26" order="2"/> <bond id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-bond19" atomRefs="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom12 131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom25" order="1"/> <bond id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-bond20" atomRefs="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom15 131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom24" order="1"/> <bond id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-bond21" atomRefs="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom22 131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom23" order="2"/> <bond id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-bond22" atomRefs="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom14 131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom22" order="1"/> <bond id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-bond23" atomRefs="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom4 131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom21" order="1"/> <bond id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-bond24" atomRefs="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom3 131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom32" order="1"/> <bond id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-bond25" atomRefs="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom17 131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom19" order="1"/> <bond id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-bond26" atomRefs="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom38 131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom17" order="2"/> <bond id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-bond27" atomRefs="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom16 131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom18" order="2"/> <bond id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-bond28" atomRefs="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom16 131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom38" order="1"/> <bond id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-bond29" atomRefs="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom15 131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom16" order="1"/> <bond id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-bond30" atomRefs="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom14 131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom17" order="1"/> <bond id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-bond31" atomRefs="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom14 131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom15" order="2"/> <bond id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-bond32" atomRefs="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom12 131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom13" order="A"/> <bond id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-bond33" atomRefs="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom11 131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom18" order="1"/> <bond id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-bond34" atomRefs="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom11 131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom12" order="A"/> <bond id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-bond35" atomRefs="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom37 131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom11" order="A"/> <bond id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-bond36" atomRefs="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom10 131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom20" order="1"/> <bond id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-bond37" atomRefs="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom13 131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom10" order="A"/> <bond id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-bond38" atomRefs="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom10 131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom37" order="A"/> <bond id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-bond39" atomRefs="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom1 131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom19" order="2"/> <bond id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-bond40" atomRefs="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom8 131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom20" order="2"/> <bond id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-bond41" atomRefs="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom36 131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom8" order="1"/> <bond id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-bond42" atomRefs="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom7 131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom9" order="1"/> <bond id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-bond43" atomRefs="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom7 131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom36" order="2"/> <bond id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-bond44" atomRefs="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom6 131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom7" order="1"/> <bond id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-bond45" atomRefs="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom5 131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom8" order="1"/> <bond id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-bond46" atomRefs="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom5 131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom6" order="2"/> <bond id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-bond47" atomRefs="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom2 131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom9" order="2"/> <bond id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-bond48" atomRefs="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom3 131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom4" order="A"/> <bond id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-bond49" atomRefs="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom2 131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom3" order="A"/> <bond id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-bond50" atomRefs="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom39 131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom2" order="A"/> <bond id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-bond51" atomRefs="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom4 131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom1" order="A"/> <bond id="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-bond52" atomRefs="131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M-atom1 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atomRefs="DIVINYL-PROTOCHLOROPHYLLIDE-A-atom20 DIVINYL-PROTOCHLOROPHYLLIDE-A-atom29" order="1"/> <bond id="DIVINYL-PROTOCHLOROPHYLLIDE-A-bond21" atomRefs="DIVINYL-PROTOCHLOROPHYLLIDE-A-atom21 DIVINYL-PROTOCHLOROPHYLLIDE-A-atom28" order="1"/> <bond id="DIVINYL-PROTOCHLOROPHYLLIDE-A-bond22" atomRefs="DIVINYL-PROTOCHLOROPHYLLIDE-A-atom26 DIVINYL-PROTOCHLOROPHYLLIDE-A-atom27" order="1"/> <bond id="DIVINYL-PROTOCHLOROPHYLLIDE-A-bond23" atomRefs="DIVINYL-PROTOCHLOROPHYLLIDE-A-atom19 DIVINYL-PROTOCHLOROPHYLLIDE-A-atom38" order="1"/> <bond id="DIVINYL-PROTOCHLOROPHYLLIDE-A-bond24" atomRefs="DIVINYL-PROTOCHLOROPHYLLIDE-A-atom20 DIVINYL-PROTOCHLOROPHYLLIDE-A-atom21" order="2"/> <bond id="DIVINYL-PROTOCHLOROPHYLLIDE-A-bond25" atomRefs="DIVINYL-PROTOCHLOROPHYLLIDE-A-atom19 DIVINYL-PROTOCHLOROPHYLLIDE-A-atom20" order="1"/> <bond id="DIVINYL-PROTOCHLOROPHYLLIDE-A-bond26" atomRefs="DIVINYL-PROTOCHLOROPHYLLIDE-A-atom24 DIVINYL-PROTOCHLOROPHYLLIDE-A-atom19" order="2"/> <bond id="DIVINYL-PROTOCHLOROPHYLLIDE-A-bond27" atomRefs="DIVINYL-PROTOCHLOROPHYLLIDE-A-atom18 DIVINYL-PROTOCHLOROPHYLLIDE-A-atom21" order="1"/> <bond id="DIVINYL-PROTOCHLOROPHYLLIDE-A-bond28" atomRefs="DIVINYL-PROTOCHLOROPHYLLIDE-A-atom18 DIVINYL-PROTOCHLOROPHYLLIDE-A-atom24" order="1"/> <bond id="DIVINYL-PROTOCHLOROPHYLLIDE-A-bond29" atomRefs="DIVINYL-PROTOCHLOROPHYLLIDE-A-atom16 DIVINYL-PROTOCHLOROPHYLLIDE-A-atom17" order="2"/> <bond id="DIVINYL-PROTOCHLOROPHYLLIDE-A-bond30" atomRefs="DIVINYL-PROTOCHLOROPHYLLIDE-A-atom11 DIVINYL-PROTOCHLOROPHYLLIDE-A-atom16" order="1"/> <bond id="DIVINYL-PROTOCHLOROPHYLLIDE-A-bond31" atomRefs="DIVINYL-PROTOCHLOROPHYLLIDE-A-atom15 DIVINYL-PROTOCHLOROPHYLLIDE-A-atom18" order="2"/> <bond id="DIVINYL-PROTOCHLOROPHYLLIDE-A-bond32" atomRefs="DIVINYL-PROTOCHLOROPHYLLIDE-A-atom12 DIVINYL-PROTOCHLOROPHYLLIDE-A-atom15" order="1"/> <bond id="DIVINYL-PROTOCHLOROPHYLLIDE-A-bond33" atomRefs="DIVINYL-PROTOCHLOROPHYLLIDE-A-atom36 DIVINYL-PROTOCHLOROPHYLLIDE-A-atom26" order="A"/> <bond id="DIVINYL-PROTOCHLOROPHYLLIDE-A-bond34" atomRefs="DIVINYL-PROTOCHLOROPHYLLIDE-A-atom25 DIVINYL-PROTOCHLOROPHYLLIDE-A-atom37" order="A"/> <bond id="DIVINYL-PROTOCHLOROPHYLLIDE-A-bond35" atomRefs="DIVINYL-PROTOCHLOROPHYLLIDE-A-atom26 DIVINYL-PROTOCHLOROPHYLLIDE-A-atom14" order="A"/> <bond id="DIVINYL-PROTOCHLOROPHYLLIDE-A-bond36" atomRefs="DIVINYL-PROTOCHLOROPHYLLIDE-A-atom14 DIVINYL-PROTOCHLOROPHYLLIDE-A-atom25" order="A"/> <bond id="DIVINYL-PROTOCHLOROPHYLLIDE-A-bond37" atomRefs="DIVINYL-PROTOCHLOROPHYLLIDE-A-atom12 DIVINYL-PROTOCHLOROPHYLLIDE-A-atom13" order="A"/> <bond id="DIVINYL-PROTOCHLOROPHYLLIDE-A-bond38" atomRefs="DIVINYL-PROTOCHLOROPHYLLIDE-A-atom23 DIVINYL-PROTOCHLOROPHYLLIDE-A-atom12" order="A"/> <bond id="DIVINYL-PROTOCHLOROPHYLLIDE-A-bond39" atomRefs="DIVINYL-PROTOCHLOROPHYLLIDE-A-atom13 DIVINYL-PROTOCHLOROPHYLLIDE-A-atom11" order="A"/> <bond id="DIVINYL-PROTOCHLOROPHYLLIDE-A-bond40" atomRefs="DIVINYL-PROTOCHLOROPHYLLIDE-A-atom10 DIVINYL-PROTOCHLOROPHYLLIDE-A-atom23" order="A"/> <bond id="DIVINYL-PROTOCHLOROPHYLLIDE-A-bond41" atomRefs="DIVINYL-PROTOCHLOROPHYLLIDE-A-atom11 DIVINYL-PROTOCHLOROPHYLLIDE-A-atom10" order="A"/> <bond id="DIVINYL-PROTOCHLOROPHYLLIDE-A-bond42" atomRefs="DIVINYL-PROTOCHLOROPHYLLIDE-A-atom2 DIVINYL-PROTOCHLOROPHYLLIDE-A-atom9" order="1"/> <bond id="DIVINYL-PROTOCHLOROPHYLLIDE-A-bond43" atomRefs="DIVINYL-PROTOCHLOROPHYLLIDE-A-atom7 DIVINYL-PROTOCHLOROPHYLLIDE-A-atom8" order="2"/> <bond id="DIVINYL-PROTOCHLOROPHYLLIDE-A-bond44" atomRefs="DIVINYL-PROTOCHLOROPHYLLIDE-A-atom3 DIVINYL-PROTOCHLOROPHYLLIDE-A-atom7" order="1"/> <bond id="DIVINYL-PROTOCHLOROPHYLLIDE-A-bond45" atomRefs="DIVINYL-PROTOCHLOROPHYLLIDE-A-atom6 DIVINYL-PROTOCHLOROPHYLLIDE-A-atom14" order="2"/> <bond id="DIVINYL-PROTOCHLOROPHYLLIDE-A-bond46" atomRefs="DIVINYL-PROTOCHLOROPHYLLIDE-A-atom4 DIVINYL-PROTOCHLOROPHYLLIDE-A-atom6" order="1"/> <bond id="DIVINYL-PROTOCHLOROPHYLLIDE-A-bond47" atomRefs="DIVINYL-PROTOCHLOROPHYLLIDE-A-atom5 DIVINYL-PROTOCHLOROPHYLLIDE-A-atom10" order="1"/> <bond id="DIVINYL-PROTOCHLOROPHYLLIDE-A-bond48" atomRefs="DIVINYL-PROTOCHLOROPHYLLIDE-A-atom1 DIVINYL-PROTOCHLOROPHYLLIDE-A-atom5" order="2"/> <bond id="DIVINYL-PROTOCHLOROPHYLLIDE-A-bond49" atomRefs="DIVINYL-PROTOCHLOROPHYLLIDE-A-atom4 DIVINYL-PROTOCHLOROPHYLLIDE-A-atom22" order="2"/> <bond id="DIVINYL-PROTOCHLOROPHYLLIDE-A-bond50" atomRefs="DIVINYL-PROTOCHLOROPHYLLIDE-A-atom3 DIVINYL-PROTOCHLOROPHYLLIDE-A-atom4" order="1"/> <bond id="DIVINYL-PROTOCHLOROPHYLLIDE-A-bond51" atomRefs="DIVINYL-PROTOCHLOROPHYLLIDE-A-atom2 DIVINYL-PROTOCHLOROPHYLLIDE-A-atom3" order="2"/> <bond id="DIVINYL-PROTOCHLOROPHYLLIDE-A-bond52" atomRefs="DIVINYL-PROTOCHLOROPHYLLIDE-A-atom1 DIVINYL-PROTOCHLOROPHYLLIDE-A-atom22" order="1"/> <bond id="DIVINYL-PROTOCHLOROPHYLLIDE-A-bond53" atomRefs="DIVINYL-PROTOCHLOROPHYLLIDE-A-atom1 DIVINYL-PROTOCHLOROPHYLLIDE-A-atom2" order="1"/> <formula concise="C 35 H 30 N 4 O 5 MG 1" formalCharge="0"/> 610.951 C=CC8(C3(=N7([Mg]59(n2(c1(=C(C(C(=O)OC)C(=O)c1c(C)c2=C3)C4(=N(C(C(C)=C4CCC(=O)O)=Cc6(n5c(c(C=C)c(C)6)C=C7C(C)=8))9)))))))
A flavoprotein (FAD) that is active under conditions of low light. Along with EC 1.10.99.3, violaxanthin de-epoxidase, this enzyme forms part of the xanthophyll (or violaxanthin) cycle, which is involved in protecting the plant against damage by excess light. It will also epoxidize lutein in some higher-plant species.
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atomRefs="LANOSTEROL-atom20 LANOSTEROL-atom30" order="1"/> <bond id="LANOSTEROL-bond11" atomRefs="LANOSTEROL-atom19 LANOSTEROL-atom31" order="1"/> <bond id="LANOSTEROL-bond12" atomRefs="LANOSTEROL-atom18 LANOSTEROL-atom29" order="1"/> <bond id="LANOSTEROL-bond13" atomRefs="LANOSTEROL-atom17 LANOSTEROL-atom26" order="1"/> <bond id="LANOSTEROL-bond14" atomRefs="LANOSTEROL-atom17 LANOSTEROL-atom20" order="1"/> <bond id="LANOSTEROL-bond15" atomRefs="LANOSTEROL-atom16 LANOSTEROL-atom25" order="1"/> <bond id="LANOSTEROL-bond16" atomRefs="LANOSTEROL-atom16 LANOSTEROL-atom18" order="1"/> <bond id="LANOSTEROL-bond17" atomRefs="LANOSTEROL-atom15 LANOSTEROL-atom27" order="1"/> <bond id="LANOSTEROL-bond18" atomRefs="LANOSTEROL-atom14 LANOSTEROL-atom24" order="1"/> <bond id="LANOSTEROL-bond19" atomRefs="LANOSTEROL-atom13 LANOSTEROL-atom22" order="1"/> <bond id="LANOSTEROL-bond20" atomRefs="LANOSTEROL-atom13 LANOSTEROL-atom19" order="1"/> <bond id="LANOSTEROL-bond21" atomRefs="LANOSTEROL-atom12 LANOSTEROL-atom23" order="1"/> <bond id="LANOSTEROL-bond22" atomRefs="LANOSTEROL-atom12 LANOSTEROL-atom15" order="1"/> <bond id="LANOSTEROL-bond23" atomRefs="LANOSTEROL-atom11 LANOSTEROL-atom14" order="1"/> <bond id="LANOSTEROL-bond24" atomRefs="LANOSTEROL-atom10 LANOSTEROL-atom21" order="2"/> <bond id="LANOSTEROL-bond25" atomRefs="LANOSTEROL-atom10 LANOSTEROL-atom11" order="1"/> <bond id="LANOSTEROL-bond26" atomRefs="LANOSTEROL-atom25 LANOSTEROL-atom9" order="1"/> <bond id="LANOSTEROL-bond27" atomRefs="LANOSTEROL-atom31 LANOSTEROL-atom8" order="1"/> <bond id="LANOSTEROL-bond28" atomRefs="LANOSTEROL-atom30 LANOSTEROL-atom7" order="1"/> <bond id="LANOSTEROL-bond29" atomRefs="LANOSTEROL-atom29 LANOSTEROL-atom6" order="1"/> <bond id="LANOSTEROL-bond30" atomRefs="LANOSTEROL-atom28 LANOSTEROL-atom5" order="1"/> <bond id="LANOSTEROL-bond31" atomRefs="LANOSTEROL-atom28 LANOSTEROL-atom4" order="1"/> <bond id="LANOSTEROL-bond32" atomRefs="LANOSTEROL-atom3 LANOSTEROL-atom24" order="1"/> <bond id="LANOSTEROL-bond33" atomRefs="LANOSTEROL-atom2 LANOSTEROL-atom21" order="1"/> <bond id="LANOSTEROL-bond34" atomRefs="LANOSTEROL-atom1 LANOSTEROL-atom21" order="1"/> <formula concise="C 30 H 50 O 1" formalCharge="0"/> 426.724 CC(C)=CCCC(C)C1(C2(C)(C(C)(CC1)C3(=C(CC2)C4(C)(C(CC3)C(C)(C)C(O)CC4))))
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id="44-DIMETHYL-CHOLESTA-812-24-TRIENOL-bond13" atomRefs="44-DIMETHYL-CHOLESTA-812-24-TRIENOL-atom17 44-DIMETHYL-CHOLESTA-812-24-TRIENOL-atom19" order="1"/> <bond id="44-DIMETHYL-CHOLESTA-812-24-TRIENOL-bond14" atomRefs="44-DIMETHYL-CHOLESTA-812-24-TRIENOL-atom16 44-DIMETHYL-CHOLESTA-812-24-TRIENOL-atom27" order="1"/> <bond id="44-DIMETHYL-CHOLESTA-812-24-TRIENOL-bond15" atomRefs="44-DIMETHYL-CHOLESTA-812-24-TRIENOL-atom15 44-DIMETHYL-CHOLESTA-812-24-TRIENOL-atom24" order="1"/> <bond id="44-DIMETHYL-CHOLESTA-812-24-TRIENOL-bond16" atomRefs="44-DIMETHYL-CHOLESTA-812-24-TRIENOL-atom14 44-DIMETHYL-CHOLESTA-812-24-TRIENOL-atom23" order="1"/> <bond id="44-DIMETHYL-CHOLESTA-812-24-TRIENOL-bond17" atomRefs="44-DIMETHYL-CHOLESTA-812-24-TRIENOL-atom14 44-DIMETHYL-CHOLESTA-812-24-TRIENOL-atom18" order="1"/> <bond id="44-DIMETHYL-CHOLESTA-812-24-TRIENOL-bond18" atomRefs="44-DIMETHYL-CHOLESTA-812-24-TRIENOL-atom13 44-DIMETHYL-CHOLESTA-812-24-TRIENOL-atom21" order="1"/> <bond id="44-DIMETHYL-CHOLESTA-812-24-TRIENOL-bond19" atomRefs="44-DIMETHYL-CHOLESTA-812-24-TRIENOL-atom13 44-DIMETHYL-CHOLESTA-812-24-TRIENOL-atom16" order="1"/> <bond id="44-DIMETHYL-CHOLESTA-812-24-TRIENOL-bond20" atomRefs="44-DIMETHYL-CHOLESTA-812-24-TRIENOL-atom12 44-DIMETHYL-CHOLESTA-812-24-TRIENOL-atom26" order="1"/> <bond id="44-DIMETHYL-CHOLESTA-812-24-TRIENOL-bond21" atomRefs="44-DIMETHYL-CHOLESTA-812-24-TRIENOL-atom11 44-DIMETHYL-CHOLESTA-812-24-TRIENOL-atom15" order="1"/> <bond id="44-DIMETHYL-CHOLESTA-812-24-TRIENOL-bond22" atomRefs="44-DIMETHYL-CHOLESTA-812-24-TRIENOL-atom10 44-DIMETHYL-CHOLESTA-812-24-TRIENOL-atom22" order="2"/> <bond id="44-DIMETHYL-CHOLESTA-812-24-TRIENOL-bond23" atomRefs="44-DIMETHYL-CHOLESTA-812-24-TRIENOL-atom10 44-DIMETHYL-CHOLESTA-812-24-TRIENOL-atom12" order="1"/> <bond id="44-DIMETHYL-CHOLESTA-812-24-TRIENOL-bond24" atomRefs="44-DIMETHYL-CHOLESTA-812-24-TRIENOL-atom9 44-DIMETHYL-CHOLESTA-812-24-TRIENOL-atom20" order="2"/> <bond id="44-DIMETHYL-CHOLESTA-812-24-TRIENOL-bond25" atomRefs="44-DIMETHYL-CHOLESTA-812-24-TRIENOL-atom9 44-DIMETHYL-CHOLESTA-812-24-TRIENOL-atom11" order="1"/> <bond id="44-DIMETHYL-CHOLESTA-812-24-TRIENOL-bond26" atomRefs="44-DIMETHYL-CHOLESTA-812-24-TRIENOL-atom25 44-DIMETHYL-CHOLESTA-812-24-TRIENOL-atom8" order="1"/> <bond id="44-DIMETHYL-CHOLESTA-812-24-TRIENOL-bond27" atomRefs="44-DIMETHYL-CHOLESTA-812-24-TRIENOL-atom30 44-DIMETHYL-CHOLESTA-812-24-TRIENOL-atom7" order="1"/> <bond id="44-DIMETHYL-CHOLESTA-812-24-TRIENOL-bond28" atomRefs="44-DIMETHYL-CHOLESTA-812-24-TRIENOL-atom29 44-DIMETHYL-CHOLESTA-812-24-TRIENOL-atom6" order="1"/> <bond id="44-DIMETHYL-CHOLESTA-812-24-TRIENOL-bond29" atomRefs="44-DIMETHYL-CHOLESTA-812-24-TRIENOL-atom28 44-DIMETHYL-CHOLESTA-812-24-TRIENOL-atom5" order="1"/> <bond id="44-DIMETHYL-CHOLESTA-812-24-TRIENOL-bond30" atomRefs="44-DIMETHYL-CHOLESTA-812-24-TRIENOL-atom28 44-DIMETHYL-CHOLESTA-812-24-TRIENOL-atom4" order="1"/> <bond id="44-DIMETHYL-CHOLESTA-812-24-TRIENOL-bond31" atomRefs="44-DIMETHYL-CHOLESTA-812-24-TRIENOL-atom3 44-DIMETHYL-CHOLESTA-812-24-TRIENOL-atom24" order="1"/> <bond id="44-DIMETHYL-CHOLESTA-812-24-TRIENOL-bond32" atomRefs="44-DIMETHYL-CHOLESTA-812-24-TRIENOL-atom2 44-DIMETHYL-CHOLESTA-812-24-TRIENOL-atom20" order="1"/> <bond id="44-DIMETHYL-CHOLESTA-812-24-TRIENOL-bond33" atomRefs="44-DIMETHYL-CHOLESTA-812-24-TRIENOL-atom1 44-DIMETHYL-CHOLESTA-812-24-TRIENOL-atom20" order="1"/> <formula concise="C 29 H 46 O 1" formalCharge="0"/> 410.682 CC(C)=CCCC(C)C1(C2(C)(C(=CC1)C3(=C(CC2)C4(C)(C(CC3)C(C)(C)C(O)CC4))))
17-(1,5-dimethylhex-4-enyl)-4,4,10,13-tetramethyl-2,3,4,5,6,7, 10,11,12,13,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
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44-DIMETHYL-824-CHOLESTADIENOL-atom16" order="1"/> <bond id="44-DIMETHYL-824-CHOLESTADIENOL-bond23" atomRefs="44-DIMETHYL-824-CHOLESTADIENOL-atom10 44-DIMETHYL-824-CHOLESTADIENOL-atom13" order="1"/> <bond id="44-DIMETHYL-824-CHOLESTADIENOL-bond24" atomRefs="44-DIMETHYL-824-CHOLESTADIENOL-atom9 44-DIMETHYL-824-CHOLESTADIENOL-atom20" order="2"/> <bond id="44-DIMETHYL-824-CHOLESTADIENOL-bond25" atomRefs="44-DIMETHYL-824-CHOLESTADIENOL-atom9 44-DIMETHYL-824-CHOLESTADIENOL-atom10" order="1"/> <bond id="44-DIMETHYL-824-CHOLESTADIENOL-bond26" atomRefs="44-DIMETHYL-824-CHOLESTADIENOL-atom24 44-DIMETHYL-824-CHOLESTADIENOL-atom8" order="1"/> <bond id="44-DIMETHYL-824-CHOLESTADIENOL-bond27" atomRefs="44-DIMETHYL-824-CHOLESTADIENOL-atom30 44-DIMETHYL-824-CHOLESTADIENOL-atom7" order="1"/> <bond id="44-DIMETHYL-824-CHOLESTADIENOL-bond28" atomRefs="44-DIMETHYL-824-CHOLESTADIENOL-atom29 44-DIMETHYL-824-CHOLESTADIENOL-atom6" order="1"/> <bond id="44-DIMETHYL-824-CHOLESTADIENOL-bond29" atomRefs="44-DIMETHYL-824-CHOLESTADIENOL-atom28 44-DIMETHYL-824-CHOLESTADIENOL-atom5" order="1"/> <bond id="44-DIMETHYL-824-CHOLESTADIENOL-bond30" atomRefs="44-DIMETHYL-824-CHOLESTADIENOL-atom28 44-DIMETHYL-824-CHOLESTADIENOL-atom4" order="1"/> <bond id="44-DIMETHYL-824-CHOLESTADIENOL-bond31" atomRefs="44-DIMETHYL-824-CHOLESTADIENOL-atom3 44-DIMETHYL-824-CHOLESTADIENOL-atom23" order="1"/> <bond id="44-DIMETHYL-824-CHOLESTADIENOL-bond32" atomRefs="44-DIMETHYL-824-CHOLESTADIENOL-atom2 44-DIMETHYL-824-CHOLESTADIENOL-atom20" order="1"/> <bond id="44-DIMETHYL-824-CHOLESTADIENOL-bond33" atomRefs="44-DIMETHYL-824-CHOLESTADIENOL-atom1 44-DIMETHYL-824-CHOLESTADIENOL-atom20" order="1"/> <formula concise="C 29 H 48 O 1" formalCharge="0"/> 412.698 CC(C)=CCCC(C)C1(C2(C)(C(CC1)C3(=C(CC2)C4(C)(C(CC3)C(C)(C)C(O)CC4))))
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id="7-DEHYDRO-CHOLESTEROL-bond15" atomRefs="7-DEHYDRO-CHOLESTEROL-atom9 7-DEHYDRO-CHOLESTEROL-atom26" order="1"/> <bond id="7-DEHYDRO-CHOLESTEROL-bond16" atomRefs="7-DEHYDRO-CHOLESTEROL-atom21 7-DEHYDRO-CHOLESTEROL-atom11" order="1"/> <bond id="7-DEHYDRO-CHOLESTEROL-bond17" atomRefs="7-DEHYDRO-CHOLESTEROL-atom12 7-DEHYDRO-CHOLESTEROL-atom21" order="1"/> <bond id="7-DEHYDRO-CHOLESTEROL-bond18" atomRefs="7-DEHYDRO-CHOLESTEROL-atom12 7-DEHYDRO-CHOLESTEROL-atom13" order="1"/> <bond id="7-DEHYDRO-CHOLESTEROL-bond19" atomRefs="7-DEHYDRO-CHOLESTEROL-atom20 7-DEHYDRO-CHOLESTEROL-atom13" order="1"/> <bond id="7-DEHYDRO-CHOLESTEROL-bond20" atomRefs="7-DEHYDRO-CHOLESTEROL-atom20 7-DEHYDRO-CHOLESTEROL-atom16" order="1"/> <bond id="7-DEHYDRO-CHOLESTEROL-bond21" atomRefs="7-DEHYDRO-CHOLESTEROL-atom14 7-DEHYDRO-CHOLESTEROL-atom16" order="1"/> <bond id="7-DEHYDRO-CHOLESTEROL-bond22" atomRefs="7-DEHYDRO-CHOLESTEROL-atom16 7-DEHYDRO-CHOLESTEROL-atom15" order="1"/> <bond id="7-DEHYDRO-CHOLESTEROL-bond23" 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atomRefs="7-DEHYDRO-CHOLESTEROL-atom26 7-DEHYDRO-CHOLESTEROL-atom25" order="1"/> <formula concise="C 27 H 44 O 1" formalCharge="0"/> 384.644 CC(C)CCCC(C)C1(C2(C(CC1)C3(C(CC2)C4(C)(C(=CC=3)CC(O)CC4)))(C))
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1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-atom39" order="2"/> <bond id="1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-bond16" atomRefs="1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-atom37 1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-atom38" order="1"/> <bond id="1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-bond17" atomRefs="1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-atom36 1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-atom37" order="1"/> <bond id="1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-bond18" atomRefs="1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-atom35 1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-atom36" order="1"/> <bond id="1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-bond19" atomRefs="1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-atom34 1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-atom35" order="1"/> <bond id="1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-bond20" atomRefs="1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-atom33 1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-atom34" order="1"/> <bond id="1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-bond21" atomRefs="1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-atom32 1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-atom33" order="1"/> <bond id="1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-bond22" atomRefs="1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-atom31 1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-atom32" order="1"/> <bond id="1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-bond23" atomRefs="1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-atom29 1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-atom30" order="2"/> <bond id="1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-bond24" atomRefs="1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-atom29 1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-atom31" order="1"/> <bond id="1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-bond25" atomRefs="1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-atom27 1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-atom28" order="1"/> <bond id="1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-bond26" atomRefs="1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-atom26 1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-atom27" order="1"/> <bond id="1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-bond27" atomRefs="1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-atom25 1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-atom26" order="2"/> <bond id="1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-bond28" atomRefs="1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-atom24 1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-atom25" order="1"/> <bond id="1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-bond29" atomRefs="1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-atom23 1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-atom24" order="1"/> <bond id="1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-bond30" atomRefs="1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-atom22 1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-atom23" order="2"/> <bond id="1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-bond31" atomRefs="1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-atom21 1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-atom22" order="1"/> <bond id="1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-bond32" atomRefs="1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-atom20 1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-atom21" order="1"/> <bond id="1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-bond33" atomRefs="1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-atom19 1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-atom20" order="2"/> <bond id="1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-bond34" atomRefs="1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-atom18 1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-atom19" order="1"/> <bond id="1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-bond35" atomRefs="1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-atom17 1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-atom18" order="1"/> <bond id="1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-bond36" atomRefs="1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-atom16 1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-atom17" order="1"/> <bond id="1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-bond37" atomRefs="1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-atom15 1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-atom16" order="1"/> <bond id="1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-bond38" atomRefs="1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-atom14 1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-atom15" order="1"/> <bond id="1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-bond39" atomRefs="1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-atom13 1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-atom14" order="1"/> <bond id="1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-bond40" atomRefs="1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-atom12 1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-atom13" order="1"/> <bond id="1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-bond41" atomRefs="1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-atom10 1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-atom11" order="2"/> <bond id="1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-bond42" atomRefs="1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-atom10 1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-atom12" order="1"/> <bond id="1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-bond43" atomRefs="1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-atom9 1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-atom10" order="1"/> <bond id="1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-bond44" atomRefs="1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-atom8 1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-atom9" order="1"/> <bond id="1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-bond45" atomRefs="1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-atom7 1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-atom29" order="1"/> <bond id="1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-bond46" atomRefs="1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-atom6 1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-atom8" order="1"/> <bond id="1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-bond47" atomRefs="1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-atom6 1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-atom7" order="1"/> <bond id="1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-bond48" atomRefs="1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-atom5 1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-atom6" order="1"/> <bond id="1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-bond49" atomRefs="1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-atom4 1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-atom5" order="1"/> <bond id="1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-bond50" atomRefs="1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-atom1 1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-atom3" order="2"/> <bond id="1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-bond51" atomRefs="1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-atom1 1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-atom2" order="1"/> <bond id="1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-bond52" atomRefs="1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-atom1 1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-atom48" order="1"/> <bond id="1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-bond53" atomRefs="1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-atom4 1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE-atom1" order="1"/> <formula concise="C 44 H 77 N 1 O 8 P 1" formalCharge="0"/> 779.068 C(OP(O)(=O)OCC[N+](C)(C)C)C(OC(=O)CCCCCCCC=CCC=CCC=CCC)COC(=O)CCCCCCCC=CCC=CCC=CCC
1-hydroxy-2-methyl-2-(E)-butenyl 4-diphosphate
<atom id="HYDROXY-METHYL-BUTENYL-DIP-atom1" elementType="P" x2="0.25" y2="-0.73333335"/> <atom id="HYDROXY-METHYL-BUTENYL-DIP-atom2" elementType="O" x2="0.25" y2="-0.46666664"/> <atom id="HYDROXY-METHYL-BUTENYL-DIP-atom3" elementType="C" x2="-0.7733333" y2="-1.0"/> <atom id="HYDROXY-METHYL-BUTENYL-DIP-atom4" elementType="O" x2="0.25" y2="-1.0"/> <atom id="HYDROXY-METHYL-BUTENYL-DIP-atom5" elementType="O" x2="-1.0" y2="-0.37666667"/> <atom id="HYDROXY-METHYL-BUTENYL-DIP-atom6" elementType="O" x2="0.99666667" y2="-0.73333335"/> <atom id="HYDROXY-METHYL-BUTENYL-DIP-atom7" elementType="P" x2="0.73" y2="-0.73333335"/> <atom id="HYDROXY-METHYL-BUTENYL-DIP-atom8" elementType="C" x2="-0.27666664" y2="-0.73333335"/> <atom id="HYDROXY-METHYL-BUTENYL-DIP-atom9" elementType="C" x2="-1.0" y2="-0.5966667"/> <atom id="HYDROXY-METHYL-BUTENYL-DIP-atom10" elementType="O" x2="0.50333333" y2="-0.73333335"/> <atom id="HYDROXY-METHYL-BUTENYL-DIP-atom11" elementType="C" x2="-0.7733333" y2="-0.73333335"/> <atom id="HYDROXY-METHYL-BUTENYL-DIP-atom12" elementType="O" x2="-0.0066666603" y2="-0.73333335"/> <atom id="HYDROXY-METHYL-BUTENYL-DIP-atom13" elementType="O" x2="0.73" y2="-0.46666664"/> <atom id="HYDROXY-METHYL-BUTENYL-DIP-atom14" elementType="C" x2="-0.53666663" y2="-0.57"/> <atom id="HYDROXY-METHYL-BUTENYL-DIP-atom15" elementType="O" x2="0.73" y2="-1.0"/> <bond id="HYDROXY-METHYL-BUTENYL-DIP-bond1" atomRefs="HYDROXY-METHYL-BUTENYL-DIP-atom15 HYDROXY-METHYL-BUTENYL-DIP-atom7" order="1"/> <bond id="HYDROXY-METHYL-BUTENYL-DIP-bond2" atomRefs="HYDROXY-METHYL-BUTENYL-DIP-atom14 HYDROXY-METHYL-BUTENYL-DIP-atom8" order="1"/> <bond id="HYDROXY-METHYL-BUTENYL-DIP-bond3" atomRefs="HYDROXY-METHYL-BUTENYL-DIP-atom13 HYDROXY-METHYL-BUTENYL-DIP-atom7" order="2"/> <bond id="HYDROXY-METHYL-BUTENYL-DIP-bond4" atomRefs="HYDROXY-METHYL-BUTENYL-DIP-atom12 HYDROXY-METHYL-BUTENYL-DIP-atom1" order="1"/> <bond id="HYDROXY-METHYL-BUTENYL-DIP-bond5" atomRefs="HYDROXY-METHYL-BUTENYL-DIP-atom11 HYDROXY-METHYL-BUTENYL-DIP-atom14" order="2"/> <bond id="HYDROXY-METHYL-BUTENYL-DIP-bond6" atomRefs="HYDROXY-METHYL-BUTENYL-DIP-atom10 HYDROXY-METHYL-BUTENYL-DIP-atom7" order="1"/> <bond id="HYDROXY-METHYL-BUTENYL-DIP-bond7" atomRefs="HYDROXY-METHYL-BUTENYL-DIP-atom9 HYDROXY-METHYL-BUTENYL-DIP-atom5" order="1"/> <bond id="HYDROXY-METHYL-BUTENYL-DIP-bond8" atomRefs="HYDROXY-METHYL-BUTENYL-DIP-atom9 HYDROXY-METHYL-BUTENYL-DIP-atom11" order="1"/> <bond id="HYDROXY-METHYL-BUTENYL-DIP-bond9" atomRefs="HYDROXY-METHYL-BUTENYL-DIP-atom8 HYDROXY-METHYL-BUTENYL-DIP-atom12" order="1"/> <bond id="HYDROXY-METHYL-BUTENYL-DIP-bond10" atomRefs="HYDROXY-METHYL-BUTENYL-DIP-atom6 HYDROXY-METHYL-BUTENYL-DIP-atom7" order="1"/> <bond id="HYDROXY-METHYL-BUTENYL-DIP-bond11" atomRefs="HYDROXY-METHYL-BUTENYL-DIP-atom4 HYDROXY-METHYL-BUTENYL-DIP-atom1" order="1"/> <bond id="HYDROXY-METHYL-BUTENYL-DIP-bond12" atomRefs="HYDROXY-METHYL-BUTENYL-DIP-atom3 HYDROXY-METHYL-BUTENYL-DIP-atom11" order="1"/> <bond id="HYDROXY-METHYL-BUTENYL-DIP-bond13" atomRefs="HYDROXY-METHYL-BUTENYL-DIP-atom2 HYDROXY-METHYL-BUTENYL-DIP-atom1" order="2"/> <bond id="HYDROXY-METHYL-BUTENYL-DIP-bond14" atomRefs="HYDROXY-METHYL-BUTENYL-DIP-atom1 HYDROXY-METHYL-BUTENYL-DIP-atom10" order="1"/> <formula concise="C 5 H 12 O 8 P 2" formalCharge="0"/> 262.093 CC(CO)=CCOP(=O)(O)OP(=O)(O)O
(E)-4-hydroxy-3-methylbut-2-en-1-yl diphosphate
<atom id="HYPOXANTHINE-atom1" elementType="N" x2="-0.68721807" y2="-0.37443608"/> <atom id="HYPOXANTHINE-atom2" elementType="O" x2="-0.3142857" y2="0.3082707"/> <atom id="HYPOXANTHINE-atom3" elementType="C" x2="0.06466162" y2="-0.7654135"/> <atom id="HYPOXANTHINE-atom4" elementType="N" x2="-0.3142857" y2="-0.99097747"/> <atom id="HYPOXANTHINE-atom5" elementType="N" x2="0.4015038" y2="-0.14586467"/> <atom id="HYPOXANTHINE-atom6" elementType="H" x2="-1.0" y2="-0.16090226"/> <atom id="HYPOXANTHINE-atom7" elementType="C" x2="-0.3142857" y2="-0.12781954"/> <atom id="HYPOXANTHINE-atom8" elementType="H" x2="0.99699247" y2="-1.0"/> <atom id="HYPOXANTHINE-atom9" elementType="C" x2="-0.68721807" y2="-0.7654135"/> <atom id="HYPOXANTHINE-atom10" elementType="C" x2="0.7203008" y2="-0.37443608"/> <atom id="HYPOXANTHINE-atom11" elementType="C" x2="0.06466162" y2="-0.37443608"/> <atom id="HYPOXANTHINE-atom12" elementType="N" x2="0.7203008" y2="-0.7654135"/> <bond id="HYPOXANTHINE-bond1" atomRefs="HYPOXANTHINE-atom12 HYPOXANTHINE-atom10" order="A"/> <bond id="HYPOXANTHINE-bond2" atomRefs="HYPOXANTHINE-atom12 HYPOXANTHINE-atom8" order="1"/> <bond id="HYPOXANTHINE-bond3" atomRefs="HYPOXANTHINE-atom11 HYPOXANTHINE-atom7" order="A"/> <bond id="HYPOXANTHINE-bond4" atomRefs="HYPOXANTHINE-atom10 HYPOXANTHINE-atom5" order="A"/> <bond id="HYPOXANTHINE-bond5" atomRefs="HYPOXANTHINE-atom9 HYPOXANTHINE-atom4" order="A"/> <bond id="HYPOXANTHINE-bond6" atomRefs="HYPOXANTHINE-atom7 HYPOXANTHINE-atom1" order="A"/> <bond id="HYPOXANTHINE-bond7" atomRefs="HYPOXANTHINE-atom6 HYPOXANTHINE-atom1" order="1"/> <bond id="HYPOXANTHINE-bond8" atomRefs="HYPOXANTHINE-atom5 HYPOXANTHINE-atom11" order="A"/> <bond id="HYPOXANTHINE-bond9" atomRefs="HYPOXANTHINE-atom4 HYPOXANTHINE-atom3" order="A"/> <bond id="HYPOXANTHINE-bond10" atomRefs="HYPOXANTHINE-atom3 HYPOXANTHINE-atom11" order="A"/> <bond id="HYPOXANTHINE-bond11" atomRefs="HYPOXANTHINE-atom3 HYPOXANTHINE-atom12" order="A"/> <bond id="HYPOXANTHINE-bond12" atomRefs="HYPOXANTHINE-atom2 HYPOXANTHINE-atom7" order="2"/> <bond id="HYPOXANTHINE-bond13" atomRefs="HYPOXANTHINE-atom1 HYPOXANTHINE-atom9" order="A"/> <formula concise="C 5 H 4 N 4 O 1" formalCharge="0"/> 136.113 c12(c(nc[nH]1)c(=O)[nH]cn2)
<atom id="2C-METH-D-ERYTHRITOL-CYCLODIPHOSPHATE-atom1" elementType="C" x2="0.0" y2="-3.5627"/> <atom id="2C-METH-D-ERYTHRITOL-CYCLODIPHOSPHATE-atom2" elementType="O" x2="6.711" y2="-2.9577"/> <atom id="2C-METH-D-ERYTHRITOL-CYCLODIPHOSPHATE-atom3" elementType="O" x2="2.8344" y2="-4.123"/> <atom id="2C-METH-D-ERYTHRITOL-CYCLODIPHOSPHATE-atom4" elementType="O" x2="0.0" y2="0.0"/> <atom id="2C-METH-D-ERYTHRITOL-CYCLODIPHOSPHATE-atom5" elementType="O" x2="2.0727" y2="0.0"/> <atom id="2C-METH-D-ERYTHRITOL-CYCLODIPHOSPHATE-atom6" elementType="O" x2="6.4643" y2="-1.4567"/> <atom id="2C-METH-D-ERYTHRITOL-CYCLODIPHOSPHATE-atom7" elementType="O" x2="3.9099" y2="-4.0111"/> <atom id="2C-METH-D-ERYTHRITOL-CYCLODIPHOSPHATE-atom8" elementType="C" x2="0.0" y2="-1.1764"/> <atom id="2C-METH-D-ERYTHRITOL-CYCLODIPHOSPHATE-atom9" elementType="C" x2="3.2041" y2="-1.9383"/> <atom id="2C-METH-D-ERYTHRITOL-CYCLODIPHOSPHATE-atom10" elementType="O" x2="4.3021" y2="-1.1764"/> <atom id="2C-METH-D-ERYTHRITOL-CYCLODIPHOSPHATE-atom11" elementType="O" x2="1.9494" y2="-3.4733"/> <atom id="2C-METH-D-ERYTHRITOL-CYCLODIPHOSPHATE-atom12" elementType="O" x2="4.7838" y2="-3.4844"/> <atom id="2C-METH-D-ERYTHRITOL-CYCLODIPHOSPHATE-atom13" elementType="C" x2="2.0727" y2="-1.1764"/> <atom id="2C-METH-D-ERYTHRITOL-CYCLODIPHOSPHATE-atom14" elementType="C" x2="0.885" y2="-2.4536"/> <atom id="2C-METH-D-ERYTHRITOL-CYCLODIPHOSPHATE-atom15" elementType="P" x2="5.7699" y2="-2.4536"/> <atom id="2C-METH-D-ERYTHRITOL-CYCLODIPHOSPHATE-atom16" elementType="P" x2="3.2491" y2="-2.9577"/> <bond id="2C-METH-D-ERYTHRITOL-CYCLODIPHOSPHATE-bond1" atomRefs="2C-METH-D-ERYTHRITOL-CYCLODIPHOSPHATE-atom13 2C-METH-D-ERYTHRITOL-CYCLODIPHOSPHATE-atom14" order="1"/> <bond id="2C-METH-D-ERYTHRITOL-CYCLODIPHOSPHATE-bond2" atomRefs="2C-METH-D-ERYTHRITOL-CYCLODIPHOSPHATE-atom12 2C-METH-D-ERYTHRITOL-CYCLODIPHOSPHATE-atom16" order="1"/> <bond id="2C-METH-D-ERYTHRITOL-CYCLODIPHOSPHATE-bond3" atomRefs="2C-METH-D-ERYTHRITOL-CYCLODIPHOSPHATE-atom12 2C-METH-D-ERYTHRITOL-CYCLODIPHOSPHATE-atom15" order="1"/> <bond id="2C-METH-D-ERYTHRITOL-CYCLODIPHOSPHATE-bond4" atomRefs="2C-METH-D-ERYTHRITOL-CYCLODIPHOSPHATE-atom11 2C-METH-D-ERYTHRITOL-CYCLODIPHOSPHATE-atom16" order="1"/> <bond id="2C-METH-D-ERYTHRITOL-CYCLODIPHOSPHATE-bond5" atomRefs="2C-METH-D-ERYTHRITOL-CYCLODIPHOSPHATE-atom14 2C-METH-D-ERYTHRITOL-CYCLODIPHOSPHATE-atom11" order="1"/> <bond id="2C-METH-D-ERYTHRITOL-CYCLODIPHOSPHATE-bond6" atomRefs="2C-METH-D-ERYTHRITOL-CYCLODIPHOSPHATE-atom10 2C-METH-D-ERYTHRITOL-CYCLODIPHOSPHATE-atom15" order="1"/> <bond id="2C-METH-D-ERYTHRITOL-CYCLODIPHOSPHATE-bond7" atomRefs="2C-METH-D-ERYTHRITOL-CYCLODIPHOSPHATE-atom9 2C-METH-D-ERYTHRITOL-CYCLODIPHOSPHATE-atom13" order="1"/> <bond id="2C-METH-D-ERYTHRITOL-CYCLODIPHOSPHATE-bond8" atomRefs="2C-METH-D-ERYTHRITOL-CYCLODIPHOSPHATE-atom9 2C-METH-D-ERYTHRITOL-CYCLODIPHOSPHATE-atom10" order="1"/> <bond id="2C-METH-D-ERYTHRITOL-CYCLODIPHOSPHATE-bond9" atomRefs="2C-METH-D-ERYTHRITOL-CYCLODIPHOSPHATE-atom8 2C-METH-D-ERYTHRITOL-CYCLODIPHOSPHATE-atom14" order="1"/> <bond id="2C-METH-D-ERYTHRITOL-CYCLODIPHOSPHATE-bond10" atomRefs="2C-METH-D-ERYTHRITOL-CYCLODIPHOSPHATE-atom7 2C-METH-D-ERYTHRITOL-CYCLODIPHOSPHATE-atom16" order="1"/> <bond id="2C-METH-D-ERYTHRITOL-CYCLODIPHOSPHATE-bond11" atomRefs="2C-METH-D-ERYTHRITOL-CYCLODIPHOSPHATE-atom6 2C-METH-D-ERYTHRITOL-CYCLODIPHOSPHATE-atom15" order="1"/> <bond id="2C-METH-D-ERYTHRITOL-CYCLODIPHOSPHATE-bond12" atomRefs="2C-METH-D-ERYTHRITOL-CYCLODIPHOSPHATE-atom13 2C-METH-D-ERYTHRITOL-CYCLODIPHOSPHATE-atom5" order="1"/> <bond id="2C-METH-D-ERYTHRITOL-CYCLODIPHOSPHATE-bond13" atomRefs="2C-METH-D-ERYTHRITOL-CYCLODIPHOSPHATE-atom4 2C-METH-D-ERYTHRITOL-CYCLODIPHOSPHATE-atom8" order="1"/> <bond id="2C-METH-D-ERYTHRITOL-CYCLODIPHOSPHATE-bond14" atomRefs="2C-METH-D-ERYTHRITOL-CYCLODIPHOSPHATE-atom3 2C-METH-D-ERYTHRITOL-CYCLODIPHOSPHATE-atom16" order="2"/> <bond id="2C-METH-D-ERYTHRITOL-CYCLODIPHOSPHATE-bond15" atomRefs="2C-METH-D-ERYTHRITOL-CYCLODIPHOSPHATE-atom2 2C-METH-D-ERYTHRITOL-CYCLODIPHOSPHATE-atom15" order="2"/> <bond id="2C-METH-D-ERYTHRITOL-CYCLODIPHOSPHATE-bond16" atomRefs="2C-METH-D-ERYTHRITOL-CYCLODIPHOSPHATE-atom14 2C-METH-D-ERYTHRITOL-CYCLODIPHOSPHATE-atom1" order="1"/> <formula concise="C 5 H 12 O 9 P 2" formalCharge="0"/> 278.092 CC1(CO)(C(O)COP(=O)(O)OP(O)(O1)=O)
Glyceraldehyde-3-phosphate dehydrogenase (NADP+) (phosphorylating)
NADP-dependent glyceraldehyde-3-phosphate dehydrogenase
2-oxoisovalerate dehydrogenase (acylating)
Methylmalonate-semialdehyde dehydrogenase (acylating)
<atom id="2-AMINOMUCONATE_SEMIALDEHYDE-atom1" elementType="C" x2="-0.48518" y2="-0.27613"/> <atom id="2-AMINOMUCONATE_SEMIALDEHYDE-atom2" elementType="N" x2="0.99688" y2="-0.27613"/> <atom id="2-AMINOMUCONATE_SEMIALDEHYDE-atom3" elementType="C" x2="0.00156" y2="-0.55382"/> <atom id="2-AMINOMUCONATE_SEMIALDEHYDE-atom4" elementType="C" x2="-0.48518" y2="0.29173"/> <atom id="2-AMINOMUCONATE_SEMIALDEHYDE-atom5" elementType="O" x2="-0.29797" y2="-0.97192"/> <atom id="2-AMINOMUCONATE_SEMIALDEHYDE-atom6" elementType="C" x2="0.48206" y2="-0.27613"/> <atom id="2-AMINOMUCONATE_SEMIALDEHYDE-atom7" elementType="O" x2="0.25741" y2="-1.0"/> <atom id="2-AMINOMUCONATE_SEMIALDEHYDE-atom8" elementType="O" x2="-1.0" y2="-0.27613"/> <atom id="2-AMINOMUCONATE_SEMIALDEHYDE-atom9" elementType="C" x2="0.48206" y2="0.29173"/> <atom id="2-AMINOMUCONATE_SEMIALDEHYDE-atom10" elementType="H" x2="-0.77847" y2="-0.70047"/> <atom id="2-AMINOMUCONATE_SEMIALDEHYDE-atom11" elementType="C" x2="0.00156" y2="0.57254"/> <bond id="2-AMINOMUCONATE_SEMIALDEHYDE-bond1" atomRefs="2-AMINOMUCONATE_SEMIALDEHYDE-atom11 2-AMINOMUCONATE_SEMIALDEHYDE-atom9" order="1"/> <bond id="2-AMINOMUCONATE_SEMIALDEHYDE-bond2" atomRefs="2-AMINOMUCONATE_SEMIALDEHYDE-atom10 2-AMINOMUCONATE_SEMIALDEHYDE-atom1" order="1"/> <bond id="2-AMINOMUCONATE_SEMIALDEHYDE-bond3" atomRefs="2-AMINOMUCONATE_SEMIALDEHYDE-atom9 2-AMINOMUCONATE_SEMIALDEHYDE-atom6" order="2"/> <bond id="2-AMINOMUCONATE_SEMIALDEHYDE-bond4" atomRefs="2-AMINOMUCONATE_SEMIALDEHYDE-atom8 2-AMINOMUCONATE_SEMIALDEHYDE-atom1" order="2"/> <bond id="2-AMINOMUCONATE_SEMIALDEHYDE-bond5" atomRefs="2-AMINOMUCONATE_SEMIALDEHYDE-atom7 2-AMINOMUCONATE_SEMIALDEHYDE-atom3" order="1"/> <bond id="2-AMINOMUCONATE_SEMIALDEHYDE-bond6" atomRefs="2-AMINOMUCONATE_SEMIALDEHYDE-atom6 2-AMINOMUCONATE_SEMIALDEHYDE-atom3" order="1"/> <bond id="2-AMINOMUCONATE_SEMIALDEHYDE-bond7" atomRefs="2-AMINOMUCONATE_SEMIALDEHYDE-atom5 2-AMINOMUCONATE_SEMIALDEHYDE-atom3" order="2"/> <bond id="2-AMINOMUCONATE_SEMIALDEHYDE-bond8" atomRefs="2-AMINOMUCONATE_SEMIALDEHYDE-atom4 2-AMINOMUCONATE_SEMIALDEHYDE-atom11" order="2"/> <bond id="2-AMINOMUCONATE_SEMIALDEHYDE-bond9" atomRefs="2-AMINOMUCONATE_SEMIALDEHYDE-atom2 2-AMINOMUCONATE_SEMIALDEHYDE-atom6" order="1"/> <bond id="2-AMINOMUCONATE_SEMIALDEHYDE-bond10" atomRefs="2-AMINOMUCONATE_SEMIALDEHYDE-atom1 2-AMINOMUCONATE_SEMIALDEHYDE-atom4" order="1"/> <formula concise="C 6 H 7 N 1 O 3" formalCharge="0"/> 141.126 [CH](=O)C=CC=C(N)C(O)=O
Aminomuconate-semialdehyde dehydrogenase
Glyceraldehyde-3-phosphate dehydrogenase (NADP+)
Acetaldehyde dehydrogenase (acetylating)
<atom id="ALLYSINE-atom1" elementType="C" x2="0.13957" y2="-0.66831"/> <atom id="ALLYSINE-atom2" elementType="C" x2="-0.42857" y2="-0.66831"/> <atom id="ALLYSINE-atom3" elementType="C" x2="0.70772" y2="-0.66831"/> <atom id="ALLYSINE-atom4" elementType="C" x2="-0.711" y2="-0.50411"/> <atom id="ALLYSINE-atom5" elementType="O" x2="-1.0" y2="-0.67159"/> <atom id="ALLYSINE-atom6" elementType="O" x2="0.99672" y2="-0.50411"/> <atom id="ALLYSINE-atom7" elementType="C" x2="-0.14286" y2="-0.50411"/> <atom id="ALLYSINE-atom8" elementType="N" x2="0.42529" y2="-0.17241"/> <atom id="ALLYSINE-atom9" elementType="C" x2="0.42529" y2="-0.50411"/> <atom id="ALLYSINE-atom10" elementType="O" x2="0.70772" y2="-1.0"/> <bond id="ALLYSINE-bond1" atomRefs="ALLYSINE-atom10 ALLYSINE-atom3" order="1"/> <bond id="ALLYSINE-bond2" atomRefs="ALLYSINE-atom9 ALLYSINE-atom3" order="1"/> <bond id="ALLYSINE-bond3" atomRefs="ALLYSINE-atom8 ALLYSINE-atom9" order="1"/> <bond id="ALLYSINE-bond4" atomRefs="ALLYSINE-atom7 ALLYSINE-atom1" order="1"/> <bond id="ALLYSINE-bond5" atomRefs="ALLYSINE-atom6 ALLYSINE-atom3" order="2"/> <bond id="ALLYSINE-bond6" atomRefs="ALLYSINE-atom5 ALLYSINE-atom4" order="2"/> <bond id="ALLYSINE-bond7" atomRefs="ALLYSINE-atom4 ALLYSINE-atom2" order="1"/> <bond id="ALLYSINE-bond8" atomRefs="ALLYSINE-atom2 ALLYSINE-atom7" order="1"/> <bond id="ALLYSINE-bond9" atomRefs="ALLYSINE-atom1 ALLYSINE-atom9" order="1"/> <formula concise="C 6 H 11 N 1 O 3" formalCharge="0"/> 145.158 C(=O)(O)C(N)CCCC=O hexanedioic acid, 2-amino-, semialdhyde
<atom id="CPD-468-atom1" elementType="N" x2="5.1" y2="-0.8208"/> <atom id="CPD-468-atom2" elementType="C" x2="5.7495" y2="-1.1958"/> <atom id="CPD-468-atom3" elementType="C" x2="6.399" y2="-0.8208"/> <atom id="CPD-468-atom4" elementType="C" x2="5.7495" y2="-1.9458"/> <atom id="CPD-468-atom5" elementType="O" x2="6.399" y2="-2.3208"/> <atom id="CPD-468-atom6" elementType="O" x2="5.1" y2="-2.3208"/> <atom id="CPD-468-atom7" elementType="C" x2="7.0486" y2="-1.1958"/> <atom id="CPD-468-atom8" elementType="C" x2="7.6981" y2="-0.8208"/> <atom id="CPD-468-atom9" elementType="C" x2="8.3476" y2="-1.1958"/> <atom id="CPD-468-atom10" elementType="O" x2="8.9958" y2="-0.8187"/> <atom id="CPD-468-atom11" elementType="O" x2="8.3451" y2="-1.9459"/> <bond id="CPD-468-bond1" atomRefs="CPD-468-atom8 CPD-468-atom9" order="1"/> <bond id="CPD-468-bond2" atomRefs="CPD-468-atom9 CPD-468-atom11" order="2"/> <bond id="CPD-468-bond3" atomRefs="CPD-468-atom9 CPD-468-atom10" order="1"/> <bond id="CPD-468-bond4" atomRefs="CPD-468-atom7 CPD-468-atom8" order="1"/> <bond id="CPD-468-bond5" atomRefs="CPD-468-atom3 CPD-468-atom7" order="1"/> <bond id="CPD-468-bond6" atomRefs="CPD-468-atom4 CPD-468-atom6" order="2"/> <bond id="CPD-468-bond7" atomRefs="CPD-468-atom4 CPD-468-atom5" order="1"/> <bond id="CPD-468-bond8" atomRefs="CPD-468-atom2 CPD-468-atom4" order="1"/> <bond id="CPD-468-bond9" atomRefs="CPD-468-atom2 CPD-468-atom3" order="1"/> <bond id="CPD-468-bond10" atomRefs="CPD-468-atom2 CPD-468-atom1" order="1"/> <formula concise="C 6 H 11 N 1 O 4" formalCharge="0"/> 161.157 C(O)(=O)C(N)CCCC(=O)O
L-aspartate-β-semialdehyde dehydrogenase
Glyceraldehyde-3-phosphate dehydrogenase (NAD(P)) (phosphorylating)
NAD(P)-dependent glyceraldehyde-3-phosphate dehydrogenase
<atom id="L-GLUTAMATE-5-P-atom1" elementType="C" x2="-0.76432" y2="-0.58101"/> <atom id="L-GLUTAMATE-5-P-atom2" elementType="C" x2="-0.05074" y2="-0.71849"/> <atom id="L-GLUTAMATE-5-P-atom3" elementType="C" x2="-0.28969" y2="-0.58101"/> <atom id="L-GLUTAMATE-5-P-atom4" elementType="O" x2="0.18822" y2="-0.30933"/> <atom id="L-GLUTAMATE-5-P-atom5" elementType="P" x2="0.72504" y2="-0.72831"/> <atom id="L-GLUTAMATE-5-P-atom6" elementType="O" x2="0.72504" y2="-0.45663"/> <atom id="L-GLUTAMATE-5-P-atom7" elementType="O" x2="0.72504" y2="-1.0"/> <atom id="L-GLUTAMATE-5-P-atom8" elementType="O" x2="0.4599" y2="-0.72831"/> <atom id="L-GLUTAMATE-5-P-atom9" elementType="C" x2="-0.52537" y2="-0.71849"/> <atom id="L-GLUTAMATE-5-P-atom10" elementType="O" x2="-0.76432" y2="-0.30933"/> <atom id="L-GLUTAMATE-5-P-atom11" elementType="O" x2="-1.0" y2="-0.71849"/> <atom id="L-GLUTAMATE-5-P-atom12" elementType="C" x2="0.18822" y2="-0.58101"/> <atom id="L-GLUTAMATE-5-P-atom13" elementType="O" x2="0.99673" y2="-0.72831"/> <atom id="L-GLUTAMATE-5-P-atom14" elementType="N" x2="-0.52537" y2="-0.99018"/> <bond id="L-GLUTAMATE-5-P-bond1" atomRefs="L-GLUTAMATE-5-P-atom14 L-GLUTAMATE-5-P-atom9" order="1"/> <bond id="L-GLUTAMATE-5-P-bond2" atomRefs="L-GLUTAMATE-5-P-atom13 L-GLUTAMATE-5-P-atom5" order="1"/> <bond id="L-GLUTAMATE-5-P-bond3" atomRefs="L-GLUTAMATE-5-P-atom12 L-GLUTAMATE-5-P-atom8" order="1"/> <bond id="L-GLUTAMATE-5-P-bond4" atomRefs="L-GLUTAMATE-5-P-atom11 L-GLUTAMATE-5-P-atom1" order="1"/> <bond id="L-GLUTAMATE-5-P-bond5" atomRefs="L-GLUTAMATE-5-P-atom10 L-GLUTAMATE-5-P-atom1" order="2"/> <bond id="L-GLUTAMATE-5-P-bond6" atomRefs="L-GLUTAMATE-5-P-atom9 L-GLUTAMATE-5-P-atom3" order="1"/> <bond id="L-GLUTAMATE-5-P-bond7" atomRefs="L-GLUTAMATE-5-P-atom8 L-GLUTAMATE-5-P-atom5" order="1"/> <bond id="L-GLUTAMATE-5-P-bond8" atomRefs="L-GLUTAMATE-5-P-atom7 L-GLUTAMATE-5-P-atom5" order="1"/> <bond id="L-GLUTAMATE-5-P-bond9" atomRefs="L-GLUTAMATE-5-P-atom6 L-GLUTAMATE-5-P-atom5" order="2"/> <bond id="L-GLUTAMATE-5-P-bond10" atomRefs="L-GLUTAMATE-5-P-atom4 L-GLUTAMATE-5-P-atom12" order="2"/> <bond id="L-GLUTAMATE-5-P-bond11" atomRefs="L-GLUTAMATE-5-P-atom3 L-GLUTAMATE-5-P-atom2" order="1"/> <bond id="L-GLUTAMATE-5-P-bond12" atomRefs="L-GLUTAMATE-5-P-atom2 L-GLUTAMATE-5-P-atom12" order="1"/> <bond id="L-GLUTAMATE-5-P-bond13" atomRefs="L-GLUTAMATE-5-P-atom1 L-GLUTAMATE-5-P-atom9" order="1"/> <formula concise="C 5 H 10 N 1 O 7 P 1" formalCharge="0"/> 227.11 C(=O)(O)C(N)CCC(=O)OP(O)(O)=O
Glutamyl-γ-semialdehyde dehydrogenase
<atom id="GLYCERALD-atom1" elementType="O" x2="0.99661" y2="-0.41356"/> <atom id="GLYCERALD-atom2" elementType="C" x2="-0.50508" y2="-0.13559"/> <atom id="GLYCERALD-atom3" elementType="O" x2="-0.00678" y2="-1.0"/> <atom id="GLYCERALD-atom4" elementType="C" x2="0.50169" y2="-0.13559"/> <atom id="GLYCERALD-atom5" elementType="C" x2="-0.00678" y2="-0.43051"/> <atom id="GLYCERALD-atom6" elementType="O" x2="-1.0" y2="-0.42034"/> <bond id="GLYCERALD-bond1" atomRefs="GLYCERALD-atom6 GLYCERALD-atom2" order="1"/> <bond id="GLYCERALD-bond2" atomRefs="GLYCERALD-atom5 GLYCERALD-atom4" order="1"/> <bond id="GLYCERALD-bond3" atomRefs="GLYCERALD-atom4 GLYCERALD-atom1" order="2"/> <bond id="GLYCERALD-bond4" atomRefs="GLYCERALD-atom3 GLYCERALD-atom5" order="1"/> <bond id="GLYCERALD-bond5" atomRefs="GLYCERALD-atom2 GLYCERALD-atom5" order="1"/> <formula concise="C 3 H 6 O 3" formalCharge="0"/> 90.079 C(O)C(O)C=O
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N-acetyl-gamma-glutamyl-phosphate reductase
N-acetyl-glutamate semialdehyde dehydrogenase
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id="5-ALPHA-CHOLESTA-724-DIEN-3-BETA-OL-bond15" atomRefs="5-ALPHA-CHOLESTA-724-DIEN-3-BETA-OL-atom13 5-ALPHA-CHOLESTA-724-DIEN-3-BETA-OL-atom24" order="1"/> <bond id="5-ALPHA-CHOLESTA-724-DIEN-3-BETA-OL-bond16" atomRefs="5-ALPHA-CHOLESTA-724-DIEN-3-BETA-OL-atom13 5-ALPHA-CHOLESTA-724-DIEN-3-BETA-OL-atom14" order="1"/> <bond id="5-ALPHA-CHOLESTA-724-DIEN-3-BETA-OL-bond17" atomRefs="5-ALPHA-CHOLESTA-724-DIEN-3-BETA-OL-atom12 5-ALPHA-CHOLESTA-724-DIEN-3-BETA-OL-atom21" order="1"/> <bond id="5-ALPHA-CHOLESTA-724-DIEN-3-BETA-OL-bond18" atomRefs="5-ALPHA-CHOLESTA-724-DIEN-3-BETA-OL-atom12 5-ALPHA-CHOLESTA-724-DIEN-3-BETA-OL-atom16" order="1"/> <bond id="5-ALPHA-CHOLESTA-724-DIEN-3-BETA-OL-bond19" atomRefs="5-ALPHA-CHOLESTA-724-DIEN-3-BETA-OL-atom11 5-ALPHA-CHOLESTA-724-DIEN-3-BETA-OL-atom22" order="1"/> <bond id="5-ALPHA-CHOLESTA-724-DIEN-3-BETA-OL-bond20" atomRefs="5-ALPHA-CHOLESTA-724-DIEN-3-BETA-OL-atom10 5-ALPHA-CHOLESTA-724-DIEN-3-BETA-OL-atom23" order="1"/> <bond id="5-ALPHA-CHOLESTA-724-DIEN-3-BETA-OL-bond21" atomRefs="5-ALPHA-CHOLESTA-724-DIEN-3-BETA-OL-atom9 5-ALPHA-CHOLESTA-724-DIEN-3-BETA-OL-atom11" order="1"/> <bond id="5-ALPHA-CHOLESTA-724-DIEN-3-BETA-OL-bond22" atomRefs="5-ALPHA-CHOLESTA-724-DIEN-3-BETA-OL-atom8 5-ALPHA-CHOLESTA-724-DIEN-3-BETA-OL-atom20" order="2"/> <bond id="5-ALPHA-CHOLESTA-724-DIEN-3-BETA-OL-bond23" atomRefs="5-ALPHA-CHOLESTA-724-DIEN-3-BETA-OL-atom8 5-ALPHA-CHOLESTA-724-DIEN-3-BETA-OL-atom10" order="1"/> <bond id="5-ALPHA-CHOLESTA-724-DIEN-3-BETA-OL-bond24" atomRefs="5-ALPHA-CHOLESTA-724-DIEN-3-BETA-OL-atom7 5-ALPHA-CHOLESTA-724-DIEN-3-BETA-OL-atom19" order="2"/> <bond id="5-ALPHA-CHOLESTA-724-DIEN-3-BETA-OL-bond25" atomRefs="5-ALPHA-CHOLESTA-724-DIEN-3-BETA-OL-atom7 5-ALPHA-CHOLESTA-724-DIEN-3-BETA-OL-atom9" order="1"/> <bond id="5-ALPHA-CHOLESTA-724-DIEN-3-BETA-OL-bond26" atomRefs="5-ALPHA-CHOLESTA-724-DIEN-3-BETA-OL-atom21 5-ALPHA-CHOLESTA-724-DIEN-3-BETA-OL-atom6" order="1"/> <bond id="5-ALPHA-CHOLESTA-724-DIEN-3-BETA-OL-bond27" atomRefs="5-ALPHA-CHOLESTA-724-DIEN-3-BETA-OL-atom28 5-ALPHA-CHOLESTA-724-DIEN-3-BETA-OL-atom5" order="1"/> <bond id="5-ALPHA-CHOLESTA-724-DIEN-3-BETA-OL-bond28" atomRefs="5-ALPHA-CHOLESTA-724-DIEN-3-BETA-OL-atom27 5-ALPHA-CHOLESTA-724-DIEN-3-BETA-OL-atom4" order="1"/> <bond id="5-ALPHA-CHOLESTA-724-DIEN-3-BETA-OL-bond29" atomRefs="5-ALPHA-CHOLESTA-724-DIEN-3-BETA-OL-atom3 5-ALPHA-CHOLESTA-724-DIEN-3-BETA-OL-atom22" order="1"/> <bond id="5-ALPHA-CHOLESTA-724-DIEN-3-BETA-OL-bond30" atomRefs="5-ALPHA-CHOLESTA-724-DIEN-3-BETA-OL-atom2 5-ALPHA-CHOLESTA-724-DIEN-3-BETA-OL-atom19" order="1"/> <bond id="5-ALPHA-CHOLESTA-724-DIEN-3-BETA-OL-bond31" atomRefs="5-ALPHA-CHOLESTA-724-DIEN-3-BETA-OL-atom1 5-ALPHA-CHOLESTA-724-DIEN-3-BETA-OL-atom19" order="1"/> <formula concise="C 27 H 44 O 1" formalCharge="0"/> 384.644 CC(C)=CCCC(C)C1(C2(C)(C(CC1)C3(C(CC2)C4(C)(C(CC=3)CC(O)CC4))))
<atom id="CHOLESTEROL-atom1" elementType="C" x2="13.2006" y2="-3.0805"/> <atom id="CHOLESTEROL-atom2" elementType="C" x2="15.0213" y2="-4.6821"/> <atom id="CHOLESTEROL-atom3" elementType="C" x2="8.1294" y2="-7.0103"/> <atom id="CHOLESTEROL-atom4" elementType="C" x2="3.6373" y2="-3.5001"/> <atom id="CHOLESTEROL-atom5" elementType="C" x2="7.2745" y2="-5.6001"/> <atom id="CHOLESTEROL-atom6" elementType="O" x2="0.0" y2="0.0"/> <atom id="CHOLESTEROL-atom7" elementType="C" x2="4.8496" y2="0.0"/> <atom id="CHOLESTEROL-atom8" elementType="C" x2="11.3513" y2="-5.183"/> <atom id="CHOLESTEROL-atom9" elementType="C" x2="6.062" y2="-0.7"/> <atom id="CHOLESTEROL-atom10" elementType="C" x2="12.7241" y2="-5.4581"/> <atom id="CHOLESTEROL-atom11" elementType="C" x2="10.4268" y2="-6.2341"/> <atom id="CHOLESTEROL-atom12" elementType="C" x2="1.2123" y2="-2.1002"/> <atom id="CHOLESTEROL-atom13" elementType="C" x2="9.4288" y2="-3.5001"/> <atom id="CHOLESTEROL-atom14" elementType="C" x2="8.606" y2="-2.3676"/> <atom id="CHOLESTEROL-atom15" elementType="C" x2="4.8496" y2="-4.2001"/> <atom id="CHOLESTEROL-atom16" elementType="C" x2="2.4248" y2="-2.8002"/> <atom id="CHOLESTEROL-atom17" elementType="C" x2="6.062" y2="-4.9001"/> <atom id="CHOLESTEROL-atom18" elementType="C" x2="2.4248" y2="0.0"/> <atom id="CHOLESTEROL-atom19" elementType="C" x2="3.6373" y2="-0.7"/> <atom id="CHOLESTEROL-atom20" elementType="C" x2="13.6488" y2="-4.407"/> <atom id="CHOLESTEROL-atom21" elementType="C" x2="1.2123" y2="-0.7"/> <atom id="CHOLESTEROL-atom22" elementType="C" x2="9.0541" y2="-5.959"/> <atom id="CHOLESTEROL-atom23" elementType="C" x2="6.062" y2="-2.1002"/> <atom id="CHOLESTEROL-atom24" elementType="C" x2="4.8496" y2="-2.8002"/> <atom id="CHOLESTEROL-atom25" elementType="C" x2="8.606" y2="-4.6327"/> <atom id="CHOLESTEROL-atom26" elementType="C" x2="7.2745" y2="-2.8002"/> <atom id="CHOLESTEROL-atom27" elementType="C" x2="3.6373" y2="-2.1002"/> <atom id="CHOLESTEROL-atom28" elementType="C" x2="7.2745" y2="-4.2001"/> <bond id="CHOLESTEROL-bond1" atomRefs="CHOLESTEROL-atom26 CHOLESTEROL-atom28" order="1"/> <bond id="CHOLESTEROL-bond2" atomRefs="CHOLESTEROL-atom25 CHOLESTEROL-atom28" order="1"/> <bond id="CHOLESTEROL-bond3" atomRefs="CHOLESTEROL-atom24 CHOLESTEROL-atom27" order="1"/> <bond id="CHOLESTEROL-bond4" atomRefs="CHOLESTEROL-atom23 CHOLESTEROL-atom26" order="1"/> <bond id="CHOLESTEROL-bond5" atomRefs="CHOLESTEROL-atom23 CHOLESTEROL-atom24" order="1"/> <bond id="CHOLESTEROL-bond6" atomRefs="CHOLESTEROL-atom22 CHOLESTEROL-atom25" order="1"/> <bond id="CHOLESTEROL-bond7" atomRefs="CHOLESTEROL-atom19 CHOLESTEROL-atom27" order="1"/> <bond id="CHOLESTEROL-bond8" atomRefs="CHOLESTEROL-atom18 CHOLESTEROL-atom21" order="1"/> <bond id="CHOLESTEROL-bond9" atomRefs="CHOLESTEROL-atom18 CHOLESTEROL-atom19" order="1"/> <bond id="CHOLESTEROL-bond10" atomRefs="CHOLESTEROL-atom17 CHOLESTEROL-atom28" order="1"/> <bond id="CHOLESTEROL-bond11" atomRefs="CHOLESTEROL-atom16 CHOLESTEROL-atom27" order="1"/> <bond id="CHOLESTEROL-bond12" atomRefs="CHOLESTEROL-atom15 CHOLESTEROL-atom24" order="1"/> <bond id="CHOLESTEROL-bond13" atomRefs="CHOLESTEROL-atom15 CHOLESTEROL-atom17" order="1"/> <bond id="CHOLESTEROL-bond14" atomRefs="CHOLESTEROL-atom14 CHOLESTEROL-atom26" order="1"/> <bond id="CHOLESTEROL-bond15" atomRefs="CHOLESTEROL-atom13 CHOLESTEROL-atom25" order="1"/> <bond id="CHOLESTEROL-bond16" atomRefs="CHOLESTEROL-atom13 CHOLESTEROL-atom14" order="1"/> <bond id="CHOLESTEROL-bond17" atomRefs="CHOLESTEROL-atom12 CHOLESTEROL-atom21" order="1"/> <bond id="CHOLESTEROL-bond18" atomRefs="CHOLESTEROL-atom12 CHOLESTEROL-atom16" order="1"/> <bond id="CHOLESTEROL-bond19" atomRefs="CHOLESTEROL-atom11 CHOLESTEROL-atom22" order="1"/> <bond id="CHOLESTEROL-bond20" atomRefs="CHOLESTEROL-atom10 CHOLESTEROL-atom20" order="1"/> <bond id="CHOLESTEROL-bond21" atomRefs="CHOLESTEROL-atom9 CHOLESTEROL-atom23" order="1"/> <bond id="CHOLESTEROL-bond22" atomRefs="CHOLESTEROL-atom8 CHOLESTEROL-atom11" order="1"/> <bond id="CHOLESTEROL-bond23" atomRefs="CHOLESTEROL-atom8 CHOLESTEROL-atom10" order="1"/> <bond id="CHOLESTEROL-bond24" atomRefs="CHOLESTEROL-atom7 CHOLESTEROL-atom19" order="2"/> <bond id="CHOLESTEROL-bond25" atomRefs="CHOLESTEROL-atom7 CHOLESTEROL-atom9" order="1"/> <bond id="CHOLESTEROL-bond26" atomRefs="CHOLESTEROL-atom21 CHOLESTEROL-atom6" order="1"/> <bond id="CHOLESTEROL-bond27" atomRefs="CHOLESTEROL-atom28 CHOLESTEROL-atom5" order="1"/> <bond id="CHOLESTEROL-bond28" atomRefs="CHOLESTEROL-atom27 CHOLESTEROL-atom4" order="1"/> <bond id="CHOLESTEROL-bond29" atomRefs="CHOLESTEROL-atom22 CHOLESTEROL-atom3" order="1"/> <bond id="CHOLESTEROL-bond30" atomRefs="CHOLESTEROL-atom2 CHOLESTEROL-atom20" order="1"/> <bond id="CHOLESTEROL-bond31" atomRefs="CHOLESTEROL-atom1 CHOLESTEROL-atom20" order="1"/> <formula concise="C 27 H 46 O 1" formalCharge="0"/> 386.66 CC(C)CCCC(C)C1(C2(C)(C(CC1)C3(C(CC2)C4(C)(C(=CC3)CC(O)CC4))))
L-galactono-γ-lactone dehydrogenase
<atom id="DI-H-OROTATE-atom1" elementType="O" x2="-0.19393" y2="-1.0"/> <atom id="DI-H-OROTATE-atom2" elementType="O" x2="-1.0" y2="0.39966"/> <atom id="DI-H-OROTATE-atom3" elementType="N" x2="-0.59528" y2="-0.29848"/> <atom id="DI-H-OROTATE-atom4" elementType="C" x2="-0.19393" y2="0.39966"/> <atom id="DI-H-OROTATE-atom5" elementType="C" x2="-0.59528" y2="0.16695"/> <atom id="DI-H-OROTATE-atom6" elementType="C" x2="-0.19393" y2="-0.53457"/> <atom id="DI-H-OROTATE-atom7" elementType="O" x2="0.6054" y2="0.86509"/> <atom id="DI-H-OROTATE-atom8" elementType="C" x2="0.6054" y2="0.39966"/> <atom id="DI-H-OROTATE-atom9" elementType="N" x2="0.20742" y2="-0.29848"/> <atom id="DI-H-OROTATE-atom10" elementType="O" x2="0.99663" y2="0.14671"/> <atom id="DI-H-OROTATE-atom11" elementType="C" x2="0.20742" y2="0.16695"/> <bond id="DI-H-OROTATE-bond1" atomRefs="DI-H-OROTATE-atom11 DI-H-OROTATE-atom4" order="1"/> <bond id="DI-H-OROTATE-bond2" atomRefs="DI-H-OROTATE-atom10 DI-H-OROTATE-atom8" order="1"/> <bond id="DI-H-OROTATE-bond3" atomRefs="DI-H-OROTATE-atom9 DI-H-OROTATE-atom11" order="1"/> <bond id="DI-H-OROTATE-bond4" atomRefs="DI-H-OROTATE-atom9 DI-H-OROTATE-atom6" order="1"/> <bond id="DI-H-OROTATE-bond5" atomRefs="DI-H-OROTATE-atom8 DI-H-OROTATE-atom11" order="1"/> <bond id="DI-H-OROTATE-bond6" atomRefs="DI-H-OROTATE-atom7 DI-H-OROTATE-atom8" order="2"/> <bond id="DI-H-OROTATE-bond7" atomRefs="DI-H-OROTATE-atom6 DI-H-OROTATE-atom3" order="1"/> <bond id="DI-H-OROTATE-bond8" atomRefs="DI-H-OROTATE-atom5 DI-H-OROTATE-atom3" order="1"/> <bond id="DI-H-OROTATE-bond9" atomRefs="DI-H-OROTATE-atom4 DI-H-OROTATE-atom5" order="1"/> <bond id="DI-H-OROTATE-bond10" atomRefs="DI-H-OROTATE-atom2 DI-H-OROTATE-atom5" order="2"/> <bond id="DI-H-OROTATE-bond11" atomRefs="DI-H-OROTATE-atom1 DI-H-OROTATE-atom6" order="2"/> <formula concise="C 5 H 6 N 2 O 4" formalCharge="0"/> 158.113 C1(=O)(CC(C(O)=O)NC(N1)=O) 4-pyrimidinecarboxylic acid, hexahydro-2,6-dioxo-
<atom id="OROTATE-atom1" elementType="O" x2="0.58931553" y2="-1.0"/> <atom id="OROTATE-atom2" elementType="O" x2="0.9966611" y2="-0.3155259"/> <atom id="OROTATE-atom3" elementType="H" x2="-0.94991654" y2="0.33555928"/> <atom id="OROTATE-atom4" elementType="C" x2="0.58931553" y2="-0.53589314"/> <atom id="OROTATE-atom5" elementType="O" x2="-0.23539232" y2="0.8530885"/> <atom id="OROTATE-atom6" elementType="N" x2="-0.6360601" y2="0.17529215"/> <atom id="OROTATE-atom7" elementType="C" x2="-0.6360601" y2="-0.30550918"/> <atom id="OROTATE-atom8" elementType="C" x2="0.16861436" y2="-0.30550918"/> <atom id="OROTATE-atom9" elementType="H" x2="-0.20534223" y2="-0.93322206"/> <atom id="OROTATE-atom10" elementType="O" x2="-1.0" y2="-0.58931553"/> <atom id="OROTATE-atom11" elementType="C" x2="0.16861436" y2="0.17529215"/> <atom id="OROTATE-atom12" elementType="N" x2="-0.20200334" y2="-0.5826377"/> <atom id="OROTATE-atom13" elementType="C" x2="-0.23539232" y2="0.39232054"/> <bond id="OROTATE-bond1" atomRefs="OROTATE-atom13 OROTATE-atom6" order="A"/> <bond id="OROTATE-bond2" atomRefs="OROTATE-atom12 OROTATE-atom8" order="A"/> <bond id="OROTATE-bond3" atomRefs="OROTATE-atom12 OROTATE-atom9" order="1"/> <bond id="OROTATE-bond4" atomRefs="OROTATE-atom11 OROTATE-atom13" order="A"/> <bond id="OROTATE-bond5" atomRefs="OROTATE-atom10 OROTATE-atom7" order="2"/> <bond id="OROTATE-bond6" atomRefs="OROTATE-atom8 OROTATE-atom11" order="A"/> <bond id="OROTATE-bond7" atomRefs="OROTATE-atom7 OROTATE-atom12" order="A"/> <bond id="OROTATE-bond8" atomRefs="OROTATE-atom6 OROTATE-atom7" order="A"/> <bond id="OROTATE-bond9" atomRefs="OROTATE-atom5 OROTATE-atom13" order="2"/> <bond id="OROTATE-bond10" atomRefs="OROTATE-atom4 OROTATE-atom8" order="1"/> <bond id="OROTATE-bond11" atomRefs="OROTATE-atom3 OROTATE-atom6" order="1"/> <bond id="OROTATE-bond12" atomRefs="OROTATE-atom2 OROTATE-atom4" order="2"/> <bond id="OROTATE-bond13" atomRefs="OROTATE-atom1 OROTATE-atom4" order="1"/> <formula concise="C 5 H 4 N 2 O 4" formalCharge="0"/> 156.098 C(O)(=O)c1([nH]c(=O)[nH]c(c1)=O) Orotic acid
<atom id="PROTOPORPHYRINOGEN-atom1" elementType="C" x2="1.7047" y2="-0.0239"/> <atom id="PROTOPORPHYRINOGEN-atom2" elementType="C" x2="0.8399" y2="0.9929"/> <atom id="PROTOPORPHYRINOGEN-atom3" elementType="C" x2="1.6028" y2="1.307"/> <atom id="PROTOPORPHYRINOGEN-atom4" elementType="C" x2="2.1372" y2="0.6786"/> <atom id="PROTOPORPHYRINOGEN-atom5" elementType="C" x2="-1.903" y2="0.7977"/> <atom id="PROTOPORPHYRINOGEN-atom6" elementType="C" x2="-1.3324" y2="1.3935"/> <atom id="PROTOPORPHYRINOGEN-atom7" elementType="C" x2="-0.5894" y2="1.035"/> <atom id="PROTOPORPHYRINOGEN-atom8" elementType="C" x2="-1.5126" y2="0.0709"/> <atom id="PROTOPORPHYRINOGEN-atom9" elementType="C" x2="0.1374" y2="1.4254"/> <atom id="PROTOPORPHYRINOGEN-atom10" elementType="C" x2="-1.5462" y2="-1.4915"/> <atom id="PROTOPORPHYRINOGEN-atom11" elementType="C" x2="-0.6655" y2="-2.4945"/> <atom id="PROTOPORPHYRINOGEN-atom12" elementType="C" x2="-1.4233" y2="-2.8206"/> <atom id="PROTOPORPHYRINOGEN-atom13" elementType="C" 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order="1"/> <bond id="PROTOPORPHYRINOGEN-bond42" atomRefs="PROTOPORPHYRINOGEN-atom3 PROTOPORPHYRINOGEN-atom4" order="A"/> <bond id="PROTOPORPHYRINOGEN-bond43" atomRefs="PROTOPORPHYRINOGEN-atom2 PROTOPORPHYRINOGEN-atom3" order="A"/> <bond id="PROTOPORPHYRINOGEN-bond44" atomRefs="PROTOPORPHYRINOGEN-atom38 PROTOPORPHYRINOGEN-atom2" order="A"/> <bond id="PROTOPORPHYRINOGEN-bond45" atomRefs="PROTOPORPHYRINOGEN-atom4 PROTOPORPHYRINOGEN-atom1" order="A"/> <bond id="PROTOPORPHYRINOGEN-bond46" atomRefs="PROTOPORPHYRINOGEN-atom1 PROTOPORPHYRINOGEN-atom38" order="A"/> <formula concise="C 34 H 36 N 4 O 4" formalCharge="0"/> 568.714 Cc3(c(CCC(=O)O)c4(Cc1(nc(c(C)c1CCC(O)=O)Cc2(nc(c(C=C)c(C)2)Cc5(nc(Cc3n4)c(C=C)c(C)5))))) 21H,23H-Porphine-2,18-dipropanoic acid, 7,12-diethenyl-5,10,15,20,22,24-hexahydro-3,8,13,17-tetramethyl-
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ACRYLYL-COA-atom1" order="1"/> <bond id="ACRYLYL-COA-bond21" atomRefs="ACRYLYL-COA-atom46 ACRYLYL-COA-atom37" order="A"/> <bond id="ACRYLYL-COA-bond22" atomRefs="ACRYLYL-COA-atom37 ACRYLYL-COA-atom43" order="A"/> <bond id="ACRYLYL-COA-bond23" atomRefs="ACRYLYL-COA-atom36 ACRYLYL-COA-atom25" order="1"/> <bond id="ACRYLYL-COA-bond24" atomRefs="ACRYLYL-COA-atom35 ACRYLYL-COA-atom54" order="1"/> <bond id="ACRYLYL-COA-bond25" atomRefs="ACRYLYL-COA-atom34 ACRYLYL-COA-atom27" order="1"/> <bond id="ACRYLYL-COA-bond26" atomRefs="ACRYLYL-COA-atom33 ACRYLYL-COA-atom48" order="1"/> <bond id="ACRYLYL-COA-bond27" atomRefs="ACRYLYL-COA-atom32 ACRYLYL-COA-atom45" order="1"/> <bond id="ACRYLYL-COA-bond28" atomRefs="ACRYLYL-COA-atom31 ACRYLYL-COA-atom12" order="1"/> <bond id="ACRYLYL-COA-bond29" atomRefs="ACRYLYL-COA-atom30 ACRYLYL-COA-atom56" order="1"/> <bond id="ACRYLYL-COA-bond30" atomRefs="ACRYLYL-COA-atom29 ACRYLYL-COA-atom48" order="2"/> <bond id="ACRYLYL-COA-bond31" atomRefs="ACRYLYL-COA-atom28 ACRYLYL-COA-atom56" order="2"/> <bond id="ACRYLYL-COA-bond32" atomRefs="ACRYLYL-COA-atom27 ACRYLYL-COA-atom47" order="1"/> <bond id="ACRYLYL-COA-bond33" atomRefs="ACRYLYL-COA-atom25 ACRYLYL-COA-atom19" order="1"/> <bond id="ACRYLYL-COA-bond34" atomRefs="ACRYLYL-COA-atom24 ACRYLYL-COA-atom23" order="1"/> <bond id="ACRYLYL-COA-bond35" atomRefs="ACRYLYL-COA-atom37 ACRYLYL-COA-atom23" order="A"/> <bond id="ACRYLYL-COA-bond36" atomRefs="ACRYLYL-COA-atom22 ACRYLYL-COA-atom3" order="1"/> <bond id="ACRYLYL-COA-bond37" atomRefs="ACRYLYL-COA-atom21 ACRYLYL-COA-atom31" order="1"/> <bond id="ACRYLYL-COA-bond38" atomRefs="ACRYLYL-COA-atom20 ACRYLYL-COA-atom45" order="2"/> <bond id="ACRYLYL-COA-bond39" atomRefs="ACRYLYL-COA-atom19 ACRYLYL-COA-atom16" order="1"/> <bond id="ACRYLYL-COA-bond40" atomRefs="ACRYLYL-COA-atom18 ACRYLYL-COA-atom3" order="1"/> <bond id="ACRYLYL-COA-bond41" atomRefs="ACRYLYL-COA-atom17 ACRYLYL-COA-atom52" order="1"/> <bond id="ACRYLYL-COA-bond42" atomRefs="ACRYLYL-COA-atom16 ACRYLYL-COA-atom48" order="1"/> <bond id="ACRYLYL-COA-bond43" atomRefs="ACRYLYL-COA-atom15 ACRYLYL-COA-atom21" order="1"/> <bond id="ACRYLYL-COA-bond44" atomRefs="ACRYLYL-COA-atom14 ACRYLYL-COA-atom21" order="2"/> <bond id="ACRYLYL-COA-bond45" atomRefs="ACRYLYL-COA-atom13 ACRYLYL-COA-atom1" order="1"/> <bond id="ACRYLYL-COA-bond46" atomRefs="ACRYLYL-COA-atom12 ACRYLYL-COA-atom9" order="1"/> <bond id="ACRYLYL-COA-bond47" atomRefs="ACRYLYL-COA-atom11 ACRYLYL-COA-atom49" order="A"/> <bond id="ACRYLYL-COA-bond48" atomRefs="ACRYLYL-COA-atom23 ACRYLYL-COA-atom11" order="A"/> <bond id="ACRYLYL-COA-bond49" atomRefs="ACRYLYL-COA-atom10 ACRYLYL-COA-atom26" order="A"/> <bond id="ACRYLYL-COA-bond50" atomRefs="ACRYLYL-COA-atom9 ACRYLYL-COA-atom8" order="1"/> <bond id="ACRYLYL-COA-bond51" atomRefs="ACRYLYL-COA-atom8 ACRYLYL-COA-atom51" order="1"/> <bond id="ACRYLYL-COA-bond52" atomRefs="ACRYLYL-COA-atom7 ACRYLYL-COA-atom56" order="1"/> <bond id="ACRYLYL-COA-bond53" atomRefs="ACRYLYL-COA-atom6 ACRYLYL-COA-atom8" order="2"/> <bond id="ACRYLYL-COA-bond54" atomRefs="ACRYLYL-COA-atom5 ACRYLYL-COA-atom46" order="A"/> <bond id="ACRYLYL-COA-bond55" atomRefs="ACRYLYL-COA-atom4 ACRYLYL-COA-atom53" order="1"/> <bond id="ACRYLYL-COA-bond56" atomRefs="ACRYLYL-COA-atom2 ACRYLYL-COA-atom45" order="1"/> <bond id="ACRYLYL-COA-bond57" atomRefs="ACRYLYL-COA-atom1 ACRYLYL-COA-atom26" order="1"/> <bond id="ACRYLYL-COA-bond58" atomRefs="ACRYLYL-COA-atom1 ACRYLYL-COA-atom3" order="1"/> <formula concise="C 24 H 38 N 7 O 17 P 3 S 1" formalCharge="0"/> 821.582 [CH]3(n1(c2(c(nc1)c(N)ncn2)))(O[CH]([CH]([CH](O)3)OP(=O)(O)O)COP(O)(=O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)C=C)
Methylenetetrahydrofolate dehydrogenase (NAD+)
Methylenetetrahydrofolate reductase (NADPH)
<atom id="SACCHAROPINE-atom1" elementType="C" x2="0.62153" y2="-0.61501"/> <atom id="SACCHAROPINE-atom2" elementType="C" x2="-0.48124" y2="-1.0"/> <atom id="SACCHAROPINE-atom3" elementType="N" x2="-0.30179" y2="-0.49429"/> <atom id="SACCHAROPINE-atom4" elementType="C" x2="-0.14192" y2="-1.0"/> <atom id="SACCHAROPINE-atom5" elementType="C" x2="-0.30179" y2="-0.87928"/> <atom id="SACCHAROPINE-atom6" elementType="O" x2="-0.14192" y2="-0.7814"/> <atom id="SACCHAROPINE-atom7" elementType="C" x2="0.8075" y2="-0.50734"/> <atom id="SACCHAROPINE-atom8" elementType="C" x2="-0.64437" y2="-0.90212"/> <atom id="SACCHAROPINE-atom9" elementType="N" x2="0.62153" y2="-0.39641"/> <atom id="SACCHAROPINE-atom10" elementType="C" x2="0.44209" y2="-0.50734"/> <atom id="SACCHAROPINE-atom11" elementType="O" x2="-0.81077" y2="-0.7814"/> <atom id="SACCHAROPINE-atom12" elementType="C" x2="0.25938" y2="-0.61501"/> <atom id="SACCHAROPINE-atom13" elementType="C" x2="-0.81077" y2="-1.0"/> <atom id="SACCHAROPINE-atom14" elementType="O" x2="0.04731" y2="-0.88907"/> <atom id="SACCHAROPINE-atom15" elementType="O" x2="0.99674" y2="-0.61827"/> <atom id="SACCHAROPINE-atom16" elementType="O" x2="0.8075" y2="-0.28874"/> <atom id="SACCHAROPINE-atom17" elementType="C" x2="-0.1093" y2="-0.61501"/> <atom id="SACCHAROPINE-atom18" elementType="C" x2="0.07341" y2="-0.50734"/> <atom id="SACCHAROPINE-atom19" elementType="O" x2="-1.0" y2="-0.88907"/> <bond id="SACCHAROPINE-bond1" atomRefs="SACCHAROPINE-atom19 SACCHAROPINE-atom13" order="1"/> <bond id="SACCHAROPINE-bond2" atomRefs="SACCHAROPINE-atom18 SACCHAROPINE-atom17" order="1"/> <bond id="SACCHAROPINE-bond3" atomRefs="SACCHAROPINE-atom17 SACCHAROPINE-atom3" order="1"/> <bond id="SACCHAROPINE-bond4" atomRefs="SACCHAROPINE-atom16 SACCHAROPINE-atom7" order="2"/> <bond id="SACCHAROPINE-bond5" atomRefs="SACCHAROPINE-atom15 SACCHAROPINE-atom7" order="1"/> <bond id="SACCHAROPINE-bond6" atomRefs="SACCHAROPINE-atom14 SACCHAROPINE-atom4" order="1"/> <bond id="SACCHAROPINE-bond7" atomRefs="SACCHAROPINE-atom13 SACCHAROPINE-atom8" order="1"/> <bond id="SACCHAROPINE-bond8" atomRefs="SACCHAROPINE-atom12 SACCHAROPINE-atom18" order="1"/> <bond id="SACCHAROPINE-bond9" atomRefs="SACCHAROPINE-atom11 SACCHAROPINE-atom13" order="2"/> <bond id="SACCHAROPINE-bond10" atomRefs="SACCHAROPINE-atom10 SACCHAROPINE-atom12" order="1"/> <bond id="SACCHAROPINE-bond11" atomRefs="SACCHAROPINE-atom9 SACCHAROPINE-atom1" order="1"/> <bond id="SACCHAROPINE-bond12" atomRefs="SACCHAROPINE-atom8 SACCHAROPINE-atom2" order="1"/> <bond id="SACCHAROPINE-bond13" atomRefs="SACCHAROPINE-atom7 SACCHAROPINE-atom1" order="1"/> <bond id="SACCHAROPINE-bond14" atomRefs="SACCHAROPINE-atom6 SACCHAROPINE-atom4" order="2"/> <bond id="SACCHAROPINE-bond15" atomRefs="SACCHAROPINE-atom5 SACCHAROPINE-atom4" order="1"/> <bond id="SACCHAROPINE-bond16" atomRefs="SACCHAROPINE-atom3 SACCHAROPINE-atom5" order="1"/> <bond id="SACCHAROPINE-bond17" atomRefs="SACCHAROPINE-atom2 SACCHAROPINE-atom5" order="1"/> <bond id="SACCHAROPINE-bond18" atomRefs="SACCHAROPINE-atom1 SACCHAROPINE-atom10" order="1"/> <formula concise="C 11 H 20 N 2 O 6" formalCharge="0"/> 276.289 C(=O)(O)C(CCC(O)=O)NCCCCC(N)C(=O)O
Saccharopine dehydrogenase (NADP+, L-lysine forming)
Saccharopine dehydrogenase (NAD+, L-glutamate forming)
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elementType="C" x2="16.5242" y2="-4.0351"/> <atom id="DIHYDROFOLATE-atom15" elementType="C" x2="7.0154" y2="-2.9041"/> <atom id="DIHYDROFOLATE-atom16" elementType="C" x2="5.8594" y2="-0.8996"/> <atom id="DIHYDROFOLATE-atom17" elementType="N" x2="4.7033" y2="-2.9041"/> <atom id="DIHYDROFOLATE-atom18" elementType="N" x2="2.2871" y2="-0.1803"/> <atom id="DIHYDROFOLATE-atom19" elementType="N" x2="7.0154" y2="-4.3947"/> <atom id="DIHYDROFOLATE-atom20" elementType="N" x2="4.7033" y2="-0.1803"/> <atom id="DIHYDROFOLATE-atom21" elementType="N" x2="14.5197" y2="-4.1633"/> <atom id="DIHYDROFOLATE-atom22" elementType="C" x2="16.4982" y2="-5.9625"/> <atom id="DIHYDROFOLATE-atom23" elementType="C" x2="16.4731" y2="-2.2619"/> <atom id="DIHYDROFOLATE-atom24" elementType="C" x2="5.8594" y2="-2.2359"/> <atom id="DIHYDROFOLATE-atom25" elementType="C" x2="12.6694" y2="-3.5983"/> <atom id="DIHYDROFOLATE-atom26" elementType="C" x2="1.105" y2="-0.8996"/> <atom id="DIHYDROFOLATE-atom27" elementType="C" x2="8.6352" y2="-4.3947"/> <atom id="DIHYDROFOLATE-atom28" elementType="C" x2="11.4362" y2="-4.3947"/> <atom id="DIHYDROFOLATE-atom29" elementType="C" x2="3.4692" y2="-0.8996"/> <atom id="DIHYDROFOLATE-atom30" elementType="C" x2="3.4692" y2="-2.2359"/> <atom id="DIHYDROFOLATE-atom31" elementType="C" x2="2.2871" y2="-2.9041"/> <atom id="DIHYDROFOLATE-atom32" elementType="C" x2="15.5224" y2="-3.2898"/> <atom id="DIHYDROFOLATE-atom33" elementType="N" x2="1.0538" y2="-2.2359"/> <bond id="DIHYDROFOLATE-bond1" atomRefs="DIHYDROFOLATE-atom33 DIHYDROFOLATE-atom31" order="A"/> <bond id="DIHYDROFOLATE-bond2" atomRefs="DIHYDROFOLATE-atom31 DIHYDROFOLATE-atom30" order="A"/> <bond id="DIHYDROFOLATE-bond3" atomRefs="DIHYDROFOLATE-atom30 DIHYDROFOLATE-atom29" order="A"/> <bond id="DIHYDROFOLATE-bond4" atomRefs="DIHYDROFOLATE-atom26 DIHYDROFOLATE-atom33" order="A"/> <bond id="DIHYDROFOLATE-bond5" atomRefs="DIHYDROFOLATE-atom25 DIHYDROFOLATE-atom28" order="1"/> <bond id="DIHYDROFOLATE-bond6" atomRefs="DIHYDROFOLATE-atom23 DIHYDROFOLATE-atom32" order="1"/> <bond id="DIHYDROFOLATE-bond7" atomRefs="DIHYDROFOLATE-atom21 DIHYDROFOLATE-atom32" order="1"/> <bond id="DIHYDROFOLATE-bond8" atomRefs="DIHYDROFOLATE-atom21 DIHYDROFOLATE-atom25" order="1"/> <bond id="DIHYDROFOLATE-bond9" atomRefs="DIHYDROFOLATE-atom20 DIHYDROFOLATE-atom29" order="1"/> <bond id="DIHYDROFOLATE-bond10" atomRefs="DIHYDROFOLATE-atom19 DIHYDROFOLATE-atom27" order="1"/> <bond id="DIHYDROFOLATE-bond11" atomRefs="DIHYDROFOLATE-atom29 DIHYDROFOLATE-atom18" order="A"/> <bond id="DIHYDROFOLATE-bond12" atomRefs="DIHYDROFOLATE-atom18 DIHYDROFOLATE-atom26" order="A"/> <bond id="DIHYDROFOLATE-bond13" atomRefs="DIHYDROFOLATE-atom17 DIHYDROFOLATE-atom30" order="1"/> <bond id="DIHYDROFOLATE-bond14" atomRefs="DIHYDROFOLATE-atom17 DIHYDROFOLATE-atom24" order="2"/> <bond id="DIHYDROFOLATE-bond15" atomRefs="DIHYDROFOLATE-atom16 DIHYDROFOLATE-atom24" order="1"/> <bond id="DIHYDROFOLATE-bond16" atomRefs="DIHYDROFOLATE-atom16 DIHYDROFOLATE-atom20" order="1"/> <bond id="DIHYDROFOLATE-bond17" atomRefs="DIHYDROFOLATE-atom15 DIHYDROFOLATE-atom24" order="1"/> <bond id="DIHYDROFOLATE-bond18" atomRefs="DIHYDROFOLATE-atom15 DIHYDROFOLATE-atom19" order="1"/> <bond id="DIHYDROFOLATE-bond19" atomRefs="DIHYDROFOLATE-atom32 DIHYDROFOLATE-atom14" order="1"/> <bond id="DIHYDROFOLATE-bond20" atomRefs="DIHYDROFOLATE-atom13 DIHYDROFOLATE-atom22" order="1"/> <bond id="DIHYDROFOLATE-bond21" atomRefs="DIHYDROFOLATE-atom13 DIHYDROFOLATE-atom14" order="1"/> <bond id="DIHYDROFOLATE-bond22" atomRefs="DIHYDROFOLATE-atom12 DIHYDROFOLATE-atom28" order="A"/> <bond id="DIHYDROFOLATE-bond23" atomRefs="DIHYDROFOLATE-atom28 DIHYDROFOLATE-atom11" order="A"/> <bond id="DIHYDROFOLATE-bond24" atomRefs="DIHYDROFOLATE-atom27 DIHYDROFOLATE-atom10" order="A"/> <bond id="DIHYDROFOLATE-bond25" atomRefs="DIHYDROFOLATE-atom10 DIHYDROFOLATE-atom12" order="A"/> <bond id="DIHYDROFOLATE-bond26" atomRefs="DIHYDROFOLATE-atom9 DIHYDROFOLATE-atom27" order="A"/> <bond id="DIHYDROFOLATE-bond27" atomRefs="DIHYDROFOLATE-atom11 DIHYDROFOLATE-atom9" order="A"/> <bond id="DIHYDROFOLATE-bond28" atomRefs="DIHYDROFOLATE-atom8 DIHYDROFOLATE-atom23" order="1"/> <bond id="DIHYDROFOLATE-bond29" atomRefs="DIHYDROFOLATE-atom7 DIHYDROFOLATE-atom22" order="1"/> <bond id="DIHYDROFOLATE-bond30" atomRefs="DIHYDROFOLATE-atom6 DIHYDROFOLATE-atom31" order="2"/> <bond id="DIHYDROFOLATE-bond31" atomRefs="DIHYDROFOLATE-atom5 DIHYDROFOLATE-atom25" order="2"/> <bond id="DIHYDROFOLATE-bond32" atomRefs="DIHYDROFOLATE-atom4 DIHYDROFOLATE-atom23" order="2"/> <bond id="DIHYDROFOLATE-bond33" atomRefs="DIHYDROFOLATE-atom3 DIHYDROFOLATE-atom22" order="2"/> <bond id="DIHYDROFOLATE-bond34" atomRefs="DIHYDROFOLATE-atom2 DIHYDROFOLATE-atom26" order="1"/> <bond id="DIHYDROFOLATE-bond35" atomRefs="DIHYDROFOLATE-atom1 DIHYDROFOLATE-atom33" order="1"/> <formula concise="C 19 H 21 N 7 O 6" formalCharge="0"/> 443.418 C(C1(=Nc2(c(NC1)nc(N)[nH]c2=O)))Nc3(ccc(cc3)C(=O)NC(C(O)=O)CCC(O)=O)
<atom id="L-ERYTHRO-4-HYDROXY-GLUTAMATE-atom1" elementType="C" x2="-3.1" y2="-0.5958"/> <atom id="L-ERYTHRO-4-HYDROXY-GLUTAMATE-atom2" elementType="C" x2="-2.4542" y2="-0.9708"/> <atom id="L-ERYTHRO-4-HYDROXY-GLUTAMATE-atom3" elementType="C" x2="-1.8083" y2="-0.6"/> <atom id="L-ERYTHRO-4-HYDROXY-GLUTAMATE-atom4" elementType="C" x2="-1.1625" y2="-0.975"/> <atom id="L-ERYTHRO-4-HYDROXY-GLUTAMATE-atom5" elementType="C" x2="-0.5167" y2="-0.6042"/> <atom id="L-ERYTHRO-4-HYDROXY-GLUTAMATE-atom6" elementType="O" x2="-3.75" y2="-0.9708"/> <atom id="L-ERYTHRO-4-HYDROXY-GLUTAMATE-atom7" elementType="O" x2="-3.1042" y2="0.1542"/> <atom id="L-ERYTHRO-4-HYDROXY-GLUTAMATE-atom8" elementType="O" x2="-1.1667" y2="-1.725"/> <atom id="L-ERYTHRO-4-HYDROXY-GLUTAMATE-atom9" elementType="O" x2="0.1292" y2="-0.9833"/> <atom id="L-ERYTHRO-4-HYDROXY-GLUTAMATE-atom10" elementType="O" x2="-0.5208" y2="0.1458"/> <atom id="L-ERYTHRO-4-HYDROXY-GLUTAMATE-atom11" elementType="N" x2="-2.4583" y2="-1.7208"/> <bond id="L-ERYTHRO-4-HYDROXY-GLUTAMATE-bond1" atomRefs="L-ERYTHRO-4-HYDROXY-GLUTAMATE-atom2 L-ERYTHRO-4-HYDROXY-GLUTAMATE-atom11" order="1"/> <bond id="L-ERYTHRO-4-HYDROXY-GLUTAMATE-bond2" atomRefs="L-ERYTHRO-4-HYDROXY-GLUTAMATE-atom2 L-ERYTHRO-4-HYDROXY-GLUTAMATE-atom3" order="1"/> <bond id="L-ERYTHRO-4-HYDROXY-GLUTAMATE-bond3" atomRefs="L-ERYTHRO-4-HYDROXY-GLUTAMATE-atom5 L-ERYTHRO-4-HYDROXY-GLUTAMATE-atom10" order="2"/> <bond id="L-ERYTHRO-4-HYDROXY-GLUTAMATE-bond4" atomRefs="L-ERYTHRO-4-HYDROXY-GLUTAMATE-atom4 L-ERYTHRO-4-HYDROXY-GLUTAMATE-atom5" order="1"/> <bond id="L-ERYTHRO-4-HYDROXY-GLUTAMATE-bond5" atomRefs="L-ERYTHRO-4-HYDROXY-GLUTAMATE-atom5 L-ERYTHRO-4-HYDROXY-GLUTAMATE-atom9" order="1"/> <bond id="L-ERYTHRO-4-HYDROXY-GLUTAMATE-bond6" atomRefs="L-ERYTHRO-4-HYDROXY-GLUTAMATE-atom4 L-ERYTHRO-4-HYDROXY-GLUTAMATE-atom8" order="1"/> <bond id="L-ERYTHRO-4-HYDROXY-GLUTAMATE-bond7" atomRefs="L-ERYTHRO-4-HYDROXY-GLUTAMATE-atom3 L-ERYTHRO-4-HYDROXY-GLUTAMATE-atom4" order="1"/> <bond id="L-ERYTHRO-4-HYDROXY-GLUTAMATE-bond8" atomRefs="L-ERYTHRO-4-HYDROXY-GLUTAMATE-atom1 L-ERYTHRO-4-HYDROXY-GLUTAMATE-atom7" order="2"/> <bond id="L-ERYTHRO-4-HYDROXY-GLUTAMATE-bond9" atomRefs="L-ERYTHRO-4-HYDROXY-GLUTAMATE-atom1 L-ERYTHRO-4-HYDROXY-GLUTAMATE-atom2" order="1"/> <bond id="L-ERYTHRO-4-HYDROXY-GLUTAMATE-bond10" atomRefs="L-ERYTHRO-4-HYDROXY-GLUTAMATE-atom1 L-ERYTHRO-4-HYDROXY-GLUTAMATE-atom6" order="1"/> <formula concise="C 5 H 9 N 1 O 5" formalCharge="0"/> 163.13 C(O)(=O)C(N)CC(O)C(=O)O
Methylenetetrahydrofolate dehydrogenase (NADP+)
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<atom id="PYROGALLOL-atom1" elementType="O" x2="-1.0" y2="0.32773"/> <atom id="PYROGALLOL-atom2" elementType="C" x2="0.14622" y2="-1.0"/> <atom id="PYROGALLOL-atom3" elementType="C" x2="0.72437" y2="-0.66387"/> <atom id="PYROGALLOL-atom4" elementType="C" x2="0.72437" y2="-0.0084"/> <atom id="PYROGALLOL-atom5" elementType="O" x2="-1.0" y2="-0.99664"/> <atom id="PYROGALLOL-atom6" elementType="C" x2="-0.42521" y2="-0.0084"/> <atom id="PYROGALLOL-atom7" elementType="O" x2="0.14622" y2="0.99664"/> <atom id="PYROGALLOL-atom8" elementType="C" x2="0.14622" y2="0.33109"/> <atom id="PYROGALLOL-atom9" elementType="C" x2="-0.42521" y2="-0.66387"/> <bond id="PYROGALLOL-bond1" atomRefs="PYROGALLOL-atom6 PYROGALLOL-atom9" order="A"/> <bond id="PYROGALLOL-bond2" atomRefs="PYROGALLOL-atom8 PYROGALLOL-atom6" order="A"/> <bond id="PYROGALLOL-bond3" atomRefs="PYROGALLOL-atom8 PYROGALLOL-atom7" order="1"/> <bond id="PYROGALLOL-bond4" atomRefs="PYROGALLOL-atom5 PYROGALLOL-atom9" order="1"/> <bond id="PYROGALLOL-bond5" atomRefs="PYROGALLOL-atom4 PYROGALLOL-atom8" order="A"/> <bond id="PYROGALLOL-bond6" atomRefs="PYROGALLOL-atom3 PYROGALLOL-atom4" order="A"/> <bond id="PYROGALLOL-bond7" atomRefs="PYROGALLOL-atom9 PYROGALLOL-atom2" order="A"/> <bond id="PYROGALLOL-bond8" atomRefs="PYROGALLOL-atom2 PYROGALLOL-atom3" order="A"/> <bond id="PYROGALLOL-bond9" atomRefs="PYROGALLOL-atom1 PYROGALLOL-atom6" order="1"/> <formula concise="C 6 H 6 O 3" formalCharge="0"/> 126.112 c1(c(O)c(O)c(O)cc1)
24-methylenelophenol C-24(1)-methyltransferase
<atom id="FERULIC-ACID-atom1" elementType="C" x2="-0.68831" y2="0.06494"/> <atom id="FERULIC-ACID-atom2" elementType="C" x2="0.72403" y2="-0.87987"/> <atom id="FERULIC-ACID-atom3" elementType="C" x2="-0.7013" y2="-0.7013"/> <atom id="FERULIC-ACID-atom4" elementType="C" x2="-0.54545" y2="-0.44481"/> <atom id="FERULIC-ACID-atom5" elementType="O" x2="0.97403" y2="-0.72078"/> <atom id="FERULIC-ACID-atom6" elementType="C" x2="-0.24351" y2="-0.44481"/> <atom id="FERULIC-ACID-atom7" elementType="O" x2="0.99675" y2="-1.0"/> <atom id="FERULIC-ACID-atom8" elementType="C" x2="-0.54545" y2="-0.96753"/> <atom id="FERULIC-ACID-atom9" elementType="O" x2="-1.0" y2="-0.7013"/> <atom id="FERULIC-ACID-atom10" elementType="C" x2="0.42208" y2="-0.69481"/> <atom id="FERULIC-ACID-atom11" elementType="C" x2="-0.09091" y2="-0.7013"/> <atom id="FERULIC-ACID-atom12" elementType="C" x2="-0.24675" y2="-0.96753"/> <atom id="FERULIC-ACID-atom13" elementType="O" x2="-0.68831" y2="-0.23377"/> <atom id="FERULIC-ACID-atom14" elementType="C" x2="0.14935" y2="-0.86039"/> <bond id="FERULIC-ACID-bond1" atomRefs="FERULIC-ACID-atom14 FERULIC-ACID-atom10" order="2"/> <bond id="FERULIC-ACID-bond2" atomRefs="FERULIC-ACID-atom13 FERULIC-ACID-atom4" order="1"/> <bond id="FERULIC-ACID-bond3" atomRefs="FERULIC-ACID-atom13 FERULIC-ACID-atom1" order="1"/> <bond id="FERULIC-ACID-bond4" atomRefs="FERULIC-ACID-atom11 FERULIC-ACID-atom12" order="A"/> <bond id="FERULIC-ACID-bond5" atomRefs="FERULIC-ACID-atom11 FERULIC-ACID-atom14" order="1"/> <bond id="FERULIC-ACID-bond6" atomRefs="FERULIC-ACID-atom10 FERULIC-ACID-atom2" order="1"/> <bond id="FERULIC-ACID-bond7" atomRefs="FERULIC-ACID-atom9 FERULIC-ACID-atom3" order="1"/> <bond id="FERULIC-ACID-bond8" atomRefs="FERULIC-ACID-atom12 FERULIC-ACID-atom8" order="A"/> <bond id="FERULIC-ACID-bond9" atomRefs="FERULIC-ACID-atom6 FERULIC-ACID-atom11" order="A"/> <bond id="FERULIC-ACID-bond10" atomRefs="FERULIC-ACID-atom5 FERULIC-ACID-atom2" order="2"/> <bond id="FERULIC-ACID-bond11" atomRefs="FERULIC-ACID-atom4 FERULIC-ACID-atom6" order="A"/> <bond id="FERULIC-ACID-bond12" atomRefs="FERULIC-ACID-atom3 FERULIC-ACID-atom4" order="A"/> <bond id="FERULIC-ACID-bond13" atomRefs="FERULIC-ACID-atom8 FERULIC-ACID-atom3" order="A"/> <bond id="FERULIC-ACID-bond14" atomRefs="FERULIC-ACID-atom2 FERULIC-ACID-atom7" order="1"/> <formula concise="C 10 H 10 O 4" formalCharge="0"/> 194.187 C(O)(=O)C=Cc1(cc(OC)c(O)cc1)
<atom id="CYCLOEUCALENOL-atom1" elementType="C" x2="3.0625" y2="0.8937"/> <atom id="CYCLOEUCALENOL-atom2" elementType="C" x2="2.348" y2="1.3062"/> <atom id="CYCLOEUCALENOL-atom3" elementType="C" x2="4.4914" y2="2.5438"/> <atom id="CYCLOEUCALENOL-atom4" elementType="C" x2="5.2059" y2="2.1313"/> <atom id="CYCLOEUCALENOL-atom5" elementType="C" x2="5.2059" y2="1.3062"/> <atom id="CYCLOEUCALENOL-atom6" elementType="C" x2="4.4914" y2="0.8937"/> <atom id="CYCLOEUCALENOL-atom7" elementType="C" x2="5.2059" y2="-0.3438"/> <atom id="CYCLOEUCALENOL-atom8" elementType="C" x2="4.4914" y2="0.0687"/> <atom id="CYCLOEUCALENOL-atom9" elementType="C" x2="6.705" y2="-0.1863"/> <atom id="CYCLOEUCALENOL-atom10" elementType="C" x2="8.3352" y2="-0.4411"/> <atom id="CYCLOEUCALENOL-atom11" elementType="C" x2="10.4833" y2="-0.0537"/> <atom id="CYCLOEUCALENOL-atom12" elementType="C" x2="9.371" y2="0.8433"/> <atom id="CYCLOEUCALENOL-atom13" elementType="C" x2="9.6682" y2="0.0737"/> <atom id="CYCLOEUCALENOL-atom14" elementType="C" x2="3.777" y2="1.3062"/> <atom id="CYCLOEUCALENOL-atom15" elementType="C" x2="3.777" y2="0.4812"/> <atom id="CYCLOEUCALENOL-atom16" elementType="C" x2="5.9204" y2="-0.7563"/> <atom id="CYCLOEUCALENOL-atom17" elementType="C" x2="7.0022" y2="-0.9559"/> <atom id="CYCLOEUCALENOL-atom18" elementType="C" x2="6.4843" y2="-1.5981"/> <atom id="CYCLOEUCALENOL-atom19" elementType="C" x2="2.348" y2="2.1313"/> <atom id="CYCLOEUCALENOL-atom20" elementType="O" x2="1.6336" y2="2.5438"/> <atom id="CYCLOEUCALENOL-atom21" elementType="C" x2="7.8174" y2="-1.0832"/> <atom id="CYCLOEUCALENOL-atom22" elementType="C" x2="3.777" y2="2.1313"/> <atom id="CYCLOEUCALENOL-atom23" elementType="H" x2="3.777" y2="2.9563"/> <atom id="CYCLOEUCALENOL-atom24" elementType="C" x2="5.9204" y2="1.7187"/> <atom id="CYCLOEUCALENOL-atom25" elementType="C" x2="3.0625" y2="2.5438"/> <atom id="CYCLOEUCALENOL-atom26" elementType="C" x2="3.0375" y2="3.3833"/> <atom id="CYCLOEUCALENOL-atom27" elementType="C" x2="9.1503" y2="-0.5685"/> <atom id="CYCLOEUCALENOL-atom28" elementType="C" x2="9.4475" y2="-1.3381"/> <atom id="CYCLOEUCALENOL-atom29" elementType="C" x2="5.9204" y2="0.0687"/> <atom id="CYCLOEUCALENOL-atom30" elementType="C" x2="5.9204" y2="0.8937"/> <atom id="CYCLOEUCALENOL-atom31" elementType="C" x2="6.705" y2="1.1486"/> <atom id="CYCLOEUCALENOL-atom32" elementType="C" x2="7.1899" y2="0.4812"/> <bond id="CYCLOEUCALENOL-bond1" atomRefs="CYCLOEUCALENOL-atom29 CYCLOEUCALENOL-atom30" order="1"/> <bond id="CYCLOEUCALENOL-bond2" atomRefs="CYCLOEUCALENOL-atom31 CYCLOEUCALENOL-atom32" order="1"/> <bond id="CYCLOEUCALENOL-bond3" atomRefs="CYCLOEUCALENOL-atom30 CYCLOEUCALENOL-atom31" order="1"/> <bond id="CYCLOEUCALENOL-bond4" atomRefs="CYCLOEUCALENOL-atom9 CYCLOEUCALENOL-atom32" order="1"/> <bond id="CYCLOEUCALENOL-bond5" atomRefs="CYCLOEUCALENOL-atom9 CYCLOEUCALENOL-atom29" order="1"/> <bond id="CYCLOEUCALENOL-bond6" atomRefs="CYCLOEUCALENOL-atom27 CYCLOEUCALENOL-atom28" order="2"/> <bond id="CYCLOEUCALENOL-bond7" atomRefs="CYCLOEUCALENOL-atom25 CYCLOEUCALENOL-atom26" order="1"/> <bond id="CYCLOEUCALENOL-bond8" atomRefs="CYCLOEUCALENOL-atom30 CYCLOEUCALENOL-atom24" order="1"/> <bond id="CYCLOEUCALENOL-bond9" atomRefs="CYCLOEUCALENOL-atom22 CYCLOEUCALENOL-atom23" order="1"/> <bond id="CYCLOEUCALENOL-bond10" atomRefs="CYCLOEUCALENOL-atom15 CYCLOEUCALENOL-atom6" order="1"/> <bond id="CYCLOEUCALENOL-bond11" atomRefs="CYCLOEUCALENOL-atom19 CYCLOEUCALENOL-atom20" order="1"/> <bond id="CYCLOEUCALENOL-bond12" atomRefs="CYCLOEUCALENOL-atom17 CYCLOEUCALENOL-atom18" order="1"/> <bond id="CYCLOEUCALENOL-bond13" atomRefs="CYCLOEUCALENOL-atom29 CYCLOEUCALENOL-atom16" order="1"/> <bond id="CYCLOEUCALENOL-bond14" atomRefs="CYCLOEUCALENOL-atom15 CYCLOEUCALENOL-atom14" order="1"/> <bond id="CYCLOEUCALENOL-bond15" atomRefs="CYCLOEUCALENOL-atom13 CYCLOEUCALENOL-atom12" order="1"/> <bond id="CYCLOEUCALENOL-bond16" atomRefs="CYCLOEUCALENOL-atom11 CYCLOEUCALENOL-atom13" order="1"/> <bond id="CYCLOEUCALENOL-bond17" atomRefs="CYCLOEUCALENOL-atom27 CYCLOEUCALENOL-atom13" order="1"/> <bond id="CYCLOEUCALENOL-bond18" atomRefs="CYCLOEUCALENOL-atom27 CYCLOEUCALENOL-atom10" order="1"/> <bond id="CYCLOEUCALENOL-bond19" atomRefs="CYCLOEUCALENOL-atom21 CYCLOEUCALENOL-atom10" order="1"/> <bond id="CYCLOEUCALENOL-bond20" atomRefs="CYCLOEUCALENOL-atom21 CYCLOEUCALENOL-atom17" order="1"/> <bond id="CYCLOEUCALENOL-bond21" atomRefs="CYCLOEUCALENOL-atom17 CYCLOEUCALENOL-atom9" order="1"/> <bond id="CYCLOEUCALENOL-bond22" atomRefs="CYCLOEUCALENOL-atom7 CYCLOEUCALENOL-atom29" order="1"/> <bond id="CYCLOEUCALENOL-bond23" atomRefs="CYCLOEUCALENOL-atom7 CYCLOEUCALENOL-atom8" order="1"/> <bond id="CYCLOEUCALENOL-bond24" atomRefs="CYCLOEUCALENOL-atom8 CYCLOEUCALENOL-atom6" order="1"/> <bond id="CYCLOEUCALENOL-bond25" atomRefs="CYCLOEUCALENOL-atom6 CYCLOEUCALENOL-atom5" order="1"/> <bond id="CYCLOEUCALENOL-bond26" atomRefs="CYCLOEUCALENOL-atom5 CYCLOEUCALENOL-atom30" order="1"/> <bond id="CYCLOEUCALENOL-bond27" atomRefs="CYCLOEUCALENOL-atom4 CYCLOEUCALENOL-atom5" order="1"/> <bond id="CYCLOEUCALENOL-bond28" atomRefs="CYCLOEUCALENOL-atom3 CYCLOEUCALENOL-atom4" order="1"/> <bond id="CYCLOEUCALENOL-bond29" atomRefs="CYCLOEUCALENOL-atom22 CYCLOEUCALENOL-atom3" order="1"/> <bond id="CYCLOEUCALENOL-bond30" atomRefs="CYCLOEUCALENOL-atom14 CYCLOEUCALENOL-atom22" order="1"/> <bond id="CYCLOEUCALENOL-bond31" atomRefs="CYCLOEUCALENOL-atom6 CYCLOEUCALENOL-atom14" order="1"/> <bond id="CYCLOEUCALENOL-bond32" atomRefs="CYCLOEUCALENOL-atom25 CYCLOEUCALENOL-atom22" order="1"/> <bond id="CYCLOEUCALENOL-bond33" atomRefs="CYCLOEUCALENOL-atom19 CYCLOEUCALENOL-atom25" order="1"/> <bond id="CYCLOEUCALENOL-bond34" atomRefs="CYCLOEUCALENOL-atom2 CYCLOEUCALENOL-atom19" order="1"/> <bond id="CYCLOEUCALENOL-bond35" atomRefs="CYCLOEUCALENOL-atom1 CYCLOEUCALENOL-atom14" order="1"/> <bond id="CYCLOEUCALENOL-bond36" atomRefs="CYCLOEUCALENOL-atom1 CYCLOEUCALENOL-atom2" order="1"/> <formula concise="C 30 H 50 O 1" formalCharge="0"/> 426.724 CC(C)C(=C)CCC(C)C1(C5(C)(C(C)(CC1)C2(C4(C3([CH](CC2)C(C)C(O)CC3)(C4))(CC5))))
Methyl Jasmonic Acid (MeJA) is a volatile compound that may be responsible for airborne signals that mediate interplant communication for defense responses |CITS: [11607107]| .
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aminoimidazole carboxamide ribonucleotide
5'-phosphoribosyl-5-amino-4-imidazole carboxamide
5'-P-ribosyl-5-amino-4-imidazole carboxamide
Phosphoribosylaminoimidazolecarboxamide formyltransferase
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atomRefs="PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-atom22 PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-atom16" order="1"/> <bond id="PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-bond8" atomRefs="PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-atom22 PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-atom28" order="1"/> <bond id="PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-bond9" atomRefs="PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-atom21 PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-atom22" order="1"/> <bond id="PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-bond10" atomRefs="PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-atom20 PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-atom7" order="1"/> <bond id="PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-bond11" atomRefs="PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-atom19 PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-atom7" order="1"/> <bond id="PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-bond12" atomRefs="PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-atom19 PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-atom11" order="1"/> <bond id="PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-bond13" atomRefs="PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-atom18 PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-atom3" order="2"/> <bond id="PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-bond14" atomRefs="PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-atom17 PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-atom23" order="1"/> <bond id="PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-bond15" atomRefs="PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-atom16 PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-atom7" order="1"/> <bond id="PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-bond16" atomRefs="PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-atom15 PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-atom5" order="A"/> <bond id="PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-bond17" atomRefs="PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-atom14 PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-atom22" order="1"/> <bond id="PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-bond18" atomRefs="PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-atom13 PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-atom19" order="1"/> <bond id="PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-bond19" atomRefs="PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-atom12 PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-atom9" order="2"/> <bond id="PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-bond20" atomRefs="PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-atom11 PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-atom8" order="A"/> <bond id="PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-bond21" atomRefs="PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-atom10 PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-atom14" order="1"/> <bond id="PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-bond22" atomRefs="PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-atom9 PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-atom5" order="1"/> <bond id="PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-bond23" atomRefs="PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-atom8 PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-atom15" order="A"/> <bond id="PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-bond24" atomRefs="PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-atom6 PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-atom23" order="2"/> <bond id="PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-bond25" atomRefs="PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-atom5 PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-atom1" order="A"/> <bond id="PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-bond26" atomRefs="PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-atom4 PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-atom23" order="1"/> <bond id="PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-bond27" atomRefs="PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-atom3 PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-atom25" order="1"/> <bond id="PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-bond28" atomRefs="PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-atom2 PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-atom7" order="1"/> <bond id="PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-bond29" atomRefs="PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-atom1 PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-atom11" order="A"/> <formula concise="C 10 H 15 N 4 O 9 P 1" formalCharge="0"/> 366.224 c1(n(cnc(C(N)=O)1)[CH]2(O[CH]([CH](O)[CH]2O)COP(=O)(O)O))(NC=O)
5'-phosphoribosyl-5-formamido-4-imidazole carboxamide
5'-p-Ribosyl-5-formamido-4-imidazole carboxamide
<atom id="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom1" elementType="O" x2="0.5353846" y2="-0.15384616"/> <atom id="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom2" elementType="H" x2="0.80923074" y2="-0.56"/> <atom id="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom3" elementType="C" x2="0.47692308" y2="0.36307693"/> <atom id="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom4" elementType="C" x2="0.47692308" y2="0.7076923"/> <atom id="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom5" elementType="P" x2="-0.63076925" y2="-0.18153846"/> <atom id="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom6" elementType="O" x2="-1.0" y2="-0.18153846"/> <atom id="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom7" elementType="H" x2="0.23692308" y2="-0.56"/> <atom id="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom8" elementType="H" x2="0.9969231" y2="-0.5846154"/> <atom id="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom9" elementType="C" x2="0.064615384" y2="-0.41846153"/> <atom id="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom10" elementType="O" x2="-0.29846153" y2="-0.18153846"/> <atom id="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom11" elementType="O" x2="0.23692308" y2="-1.0"/> <atom id="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom12" elementType="O" x2="-0.63076925" y2="-0.5476923"/> <atom id="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom13" elementType="C" x2="0.9969231" y2="-0.36307693"/> <atom id="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom14" elementType="O" x2="0.2276923" y2="0.09846154"/> <atom id="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom15" elementType="C" x2="0.80923074" y2="-0.7784615"/> <atom id="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom16" elementType="O" x2="-0.63076925" y2="0.18461539"/> <atom id="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom17" elementType="H" x2="0.064615384" y2="-0.64"/> <atom id="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom18" elementType="N" x2="0.9969231" y2="0.36307693"/> <atom id="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom19" elementType="N" x2="0.84307694" y2="0.7076923"/> <atom id="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom20" elementType="O" x2="0.80923074" y2="-1.0"/> <atom id="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom21" elementType="C" x2="0.064615384" y2="-0.18153846"/> <atom id="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom22" elementType="C" x2="0.23692308" y2="-0.7784615"/> <bond id="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-bond1" atomRefs="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom22 5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom15" order="1"/> <bond id="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-bond2" atomRefs="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom21 5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom9" order="1"/> <bond id="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-bond3" atomRefs="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom20 5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom15" order="1"/> <bond id="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-bond4" atomRefs="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom19 5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom4" order="1"/> <bond id="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-bond5" atomRefs="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom18 5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom13" order="1"/> <bond id="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-bond6" atomRefs="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom17 5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom9" order="1"/> <bond id="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-bond7" atomRefs="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom16 5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom5" order="2"/> <bond id="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-bond8" atomRefs="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom14 5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom3" order="2"/> <bond id="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-bond9" atomRefs="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom13 5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom15" order="1"/> <bond id="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-bond10" atomRefs="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom12 5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom5" order="1"/> <bond id="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-bond11" atomRefs="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom11 5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom22" order="1"/> <bond id="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-bond12" atomRefs="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom10 5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom21" order="1"/> <bond id="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-bond13" atomRefs="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom9 5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom22" order="1"/> <bond id="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-bond14" atomRefs="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom9 5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom1" order="1"/> <bond id="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-bond15" atomRefs="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom8 5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom13" order="1"/> <bond id="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-bond16" atomRefs="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom7 5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom22" order="1"/> <bond id="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-bond17" atomRefs="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom6 5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom5" order="1"/> <bond id="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-bond18" atomRefs="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom5 5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom10" order="1"/> <bond id="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-bond19" atomRefs="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom4 5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom3" order="1"/> <bond id="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-bond20" atomRefs="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom3 5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom18" order="1"/> <bond id="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-bond21" atomRefs="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom2 5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom15" order="1"/> <bond id="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-bond22" atomRefs="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom1 5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom13" order="1"/> <formula concise="C 7 H 15 N 2 O 8 P 1" formalCharge="0"/> 286.178 C(CN)(=O)N[CH]1(O[CH]([CH](O)[CH](O)1)COP(O)(=O)O)
Phosphoribosylglycinamide formyltransferase
<atom id="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom1" elementType="H" x2="0.5264" y2="-0.68"/> <atom id="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom2" elementType="C" x2="0.1296" y2="0.0496"/> <atom id="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom3" elementType="C" x2="-0.1872" y2="-0.3728"/> <atom id="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom4" elementType="H" x2="-0.0528" y2="-0.6608"/> <atom id="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom5" elementType="O" x2="-0.0656" y2="-0.1552"/> <atom id="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom6" elementType="C" x2="0.5264" y2="-0.5104"/> <atom id="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom7" elementType="P" x2="-0.7184" y2="-0.3728"/> <atom id="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom8" elementType="C" x2="-0.1872" y2="-0.552"/> <atom id="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom9" elementType="C" x2="0.3888" y2="-0.8304"/> <atom id="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom10" elementType="O" x2="-0.4624" y2="-0.3728"/> <atom id="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom11" elementType="O" x2="0.9968" y2="0.5584"/> <atom id="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom12" elementType="O" x2="-1.0" y2="-0.3728"/> <atom id="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom13" elementType="N" x2="0.5264" y2="0.0496"/> <atom id="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom14" elementType="H" x2="0.3888" y2="-0.6608"/> <atom id="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom15" elementType="N" x2="0.52" y2="0.3184"/> <atom id="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom16" elementType="O" x2="0.1744" y2="-0.3472"/> <atom id="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom17" elementType="C" x2="0.8464" y2="0.3184"/> <atom id="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom18" elementType="O" x2="-0.7184" y2="-0.0912"/> <atom id="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom19" elementType="C" x2="-0.0528" y2="-0.8304"/> <atom id="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom20" elementType="H" x2="-0.1872" y2="-0.7216"/> <atom id="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom21" elementType="O" x2="-0.7184" y2="-0.6544"/> <atom id="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom22" elementType="O" x2="-0.0528" y2="-1.0"/> <atom id="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom23" elementType="O" x2="0.3888" y2="-1.0"/> <atom id="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom24" elementType="C" x2="0.1296" y2="0.3184"/> <bond id="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-bond1" atomRefs="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom24 5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom2" order="1"/> <bond id="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-bond2" atomRefs="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom23 5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom9" order="1"/> <bond id="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-bond3" atomRefs="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom22 5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom19" order="1"/> <bond id="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-bond4" atomRefs="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom21 5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom7" order="1"/> <bond id="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-bond5" atomRefs="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom20 5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom8" order="1"/> <bond id="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-bond6" atomRefs="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom19 5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom9" order="1"/> <bond id="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-bond7" atomRefs="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom18 5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom7" order="2"/> <bond id="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-bond8" atomRefs="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom17 5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom15" order="1"/> <bond id="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-bond9" atomRefs="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom16 5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom6" order="1"/> <bond id="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-bond10" atomRefs="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom15 5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom24" order="1"/> <bond id="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-bond11" atomRefs="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom14 5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom9" order="1"/> <bond id="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-bond12" atomRefs="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom13 5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom6" order="1"/> <bond id="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-bond13" atomRefs="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom12 5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom7" order="1"/> <bond id="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-bond14" atomRefs="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom11 5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom17" order="2"/> <bond id="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-bond15" atomRefs="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom10 5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom3" order="1"/> <bond id="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-bond16" atomRefs="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom8 5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom19" order="1"/> <bond id="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-bond17" atomRefs="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom8 5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom16" order="1"/> <bond id="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-bond18" atomRefs="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom7 5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom10" order="1"/> <bond id="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-bond19" atomRefs="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom6 5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom9" order="1"/> <bond id="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-bond20" atomRefs="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom5 5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom2" order="2"/> <bond id="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-bond21" atomRefs="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom4 5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom19" order="1"/> <bond id="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-bond22" atomRefs="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom3 5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom8" order="1"/> <bond id="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-bond23" atomRefs="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom2 5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom13" order="1"/> <bond id="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-bond24" atomRefs="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom1 5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom6" order="1"/> <formula concise="C 8 H 15 N 2 O 9 P 1" formalCharge="0"/> 314.188 C(=O)(CNC=O)N[CH]1(O[CH]([CH](O)[CH](O)1)COP(=O)(O)O)
5'-phosphoribosylglycinamide transformylase
<atom id="FORMALDEHYDE-atom1" elementType="O" x2="0.68844" y2="-0.00168"/> <atom id="FORMALDEHYDE-atom2" elementType="H" x2="-1.0" y2="-1.0"/> <atom id="FORMALDEHYDE-atom3" elementType="C" x2="-0.45059" y2="-0.00168"/> <atom id="FORMALDEHYDE-atom4" elementType="H" x2="-0.99665" y2="0.99665"/> <bond id="FORMALDEHYDE-bond1" atomRefs="FORMALDEHYDE-atom4 FORMALDEHYDE-atom3" order="1"/> <bond id="FORMALDEHYDE-bond2" atomRefs="FORMALDEHYDE-atom3 FORMALDEHYDE-atom1" order="2"/> <bond id="FORMALDEHYDE-bond3" atomRefs="FORMALDEHYDE-atom2 FORMALDEHYDE-atom3" order="1"/> <formula concise="C 1 H 2 O 1" formalCharge="0"/> 30.026 [CH2]=O
<atom id="DIHYDROXYACETONE-atom1" elementType="O" x2="0.99622643" y2="-0.6981132"/> <atom id="DIHYDROXYACETONE-atom2" elementType="O" x2="-1.0" y2="-0.6490566"/> <atom id="DIHYDROXYACETONE-atom3" elementType="C" x2="-0.02264148" y2="-0.709434"/> <atom id="DIHYDROXYACETONE-atom4" elementType="C" x2="-0.53207546" y2="-1.0"/> <atom id="DIHYDROXYACETONE-atom5" elementType="O" x2="-0.02264148" y2="-0.12830186"/> <atom id="DIHYDROXYACETONE-atom6" elementType="C" x2="0.4943397" y2="-1.0"/> <bond id="DIHYDROXYACETONE-bond1" atomRefs="DIHYDROXYACETONE-atom6 DIHYDROXYACETONE-atom1" order="1"/> <bond id="DIHYDROXYACETONE-bond2" atomRefs="DIHYDROXYACETONE-atom5 DIHYDROXYACETONE-atom3" order="2"/> <bond id="DIHYDROXYACETONE-bond3" atomRefs="DIHYDROXYACETONE-atom4 DIHYDROXYACETONE-atom3" order="1"/> <bond id="DIHYDROXYACETONE-bond4" atomRefs="DIHYDROXYACETONE-atom3 DIHYDROXYACETONE-atom6" order="1"/> <bond id="DIHYDROXYACETONE-bond5" atomRefs="DIHYDROXYACETONE-atom2 DIHYDROXYACETONE-atom4" order="1"/> <formula concise="C 3 H 6 O 3" formalCharge="0"/> 90.079 C(O)C(=O)CO
Glucosamine-1-phosphate N-acetyltransferase
<atom id="N-ACETYL-D-GLUCOSAMINE-1-P-atom1" elementType="C" x2="4.8861" y2="0.0"/> <atom id="N-ACETYL-D-GLUCOSAMINE-1-P-atom2" elementType="O" x2="7.311" y2="-1.0e-4"/> <atom id="N-ACETYL-D-GLUCOSAMINE-1-P-atom3" elementType="O" x2="7.4772" y2="-3.479"/> <atom id="N-ACETYL-D-GLUCOSAMINE-1-P-atom4" elementType="O" x2="0.0" y2="-4.267"/> <atom id="N-ACETYL-D-GLUCOSAMINE-1-P-atom5" elementType="O" x2="1.2487" y2="-2.1"/> <atom id="N-ACETYL-D-GLUCOSAMINE-1-P-atom6" elementType="O" x2="3.6736" y2="-0.7"/> <atom id="N-ACETYL-D-GLUCOSAMINE-1-P-atom7" elementType="O" x2="7.5195" y2="-6.2787"/> <atom id="N-ACETYL-D-GLUCOSAMINE-1-P-atom8" elementType="O" x2="8.8983" y2="-4.8879"/> <atom id="N-ACETYL-D-GLUCOSAMINE-1-P-atom9" elementType="C" x2="1.2487" y2="-4.9"/> <atom id="N-ACETYL-D-GLUCOSAMINE-1-P-atom10" elementType="N" x2="6.0985" y2="-2.1"/> <atom id="N-ACETYL-D-GLUCOSAMINE-1-P-atom11" elementType="O" x2="3.6736" y2="-4.9"/> <atom id="N-ACETYL-D-GLUCOSAMINE-1-P-atom12" elementType="O" x2="6.0985" y2="-4.9"/> <atom id="N-ACETYL-D-GLUCOSAMINE-1-P-atom13" elementType="C" x2="6.0985" y2="-0.7"/> <atom id="N-ACETYL-D-GLUCOSAMINE-1-P-atom14" elementType="C" x2="2.4612" y2="-4.2"/> <atom id="N-ACETYL-D-GLUCOSAMINE-1-P-atom15" elementType="C" x2="2.4612" y2="-2.8"/> <atom id="N-ACETYL-D-GLUCOSAMINE-1-P-atom16" elementType="C" x2="3.6736" y2="-2.1"/> <atom id="N-ACETYL-D-GLUCOSAMINE-1-P-atom17" elementType="C" x2="4.886" y2="-4.2"/> <atom id="N-ACETYL-D-GLUCOSAMINE-1-P-atom18" elementType="C" x2="4.886" y2="-2.8"/> <atom id="N-ACETYL-D-GLUCOSAMINE-1-P-atom19" elementType="P" x2="7.4983" y2="-4.8788"/> <bond id="N-ACETYL-D-GLUCOSAMINE-1-P-bond1" atomRefs="N-ACETYL-D-GLUCOSAMINE-1-P-atom17 N-ACETYL-D-GLUCOSAMINE-1-P-atom18" order="1"/> <bond id="N-ACETYL-D-GLUCOSAMINE-1-P-bond2" atomRefs="N-ACETYL-D-GLUCOSAMINE-1-P-atom16 N-ACETYL-D-GLUCOSAMINE-1-P-atom18" order="1"/> <bond id="N-ACETYL-D-GLUCOSAMINE-1-P-bond3" atomRefs="N-ACETYL-D-GLUCOSAMINE-1-P-atom15 N-ACETYL-D-GLUCOSAMINE-1-P-atom16" order="1"/> <bond id="N-ACETYL-D-GLUCOSAMINE-1-P-bond4" atomRefs="N-ACETYL-D-GLUCOSAMINE-1-P-atom14 N-ACETYL-D-GLUCOSAMINE-1-P-atom15" order="1"/> <bond id="N-ACETYL-D-GLUCOSAMINE-1-P-bond5" atomRefs="N-ACETYL-D-GLUCOSAMINE-1-P-atom12 N-ACETYL-D-GLUCOSAMINE-1-P-atom19" order="1"/> <bond id="N-ACETYL-D-GLUCOSAMINE-1-P-bond6" atomRefs="N-ACETYL-D-GLUCOSAMINE-1-P-atom17 N-ACETYL-D-GLUCOSAMINE-1-P-atom12" order="1"/> <bond id="N-ACETYL-D-GLUCOSAMINE-1-P-bond7" atomRefs="N-ACETYL-D-GLUCOSAMINE-1-P-atom11 N-ACETYL-D-GLUCOSAMINE-1-P-atom17" order="1"/> <bond id="N-ACETYL-D-GLUCOSAMINE-1-P-bond8" atomRefs="N-ACETYL-D-GLUCOSAMINE-1-P-atom11 N-ACETYL-D-GLUCOSAMINE-1-P-atom14" order="1"/> <bond id="N-ACETYL-D-GLUCOSAMINE-1-P-bond9" atomRefs="N-ACETYL-D-GLUCOSAMINE-1-P-atom18 N-ACETYL-D-GLUCOSAMINE-1-P-atom10" order="1"/> <bond id="N-ACETYL-D-GLUCOSAMINE-1-P-bond10" atomRefs="N-ACETYL-D-GLUCOSAMINE-1-P-atom10 N-ACETYL-D-GLUCOSAMINE-1-P-atom13" order="1"/> <bond id="N-ACETYL-D-GLUCOSAMINE-1-P-bond11" atomRefs="N-ACETYL-D-GLUCOSAMINE-1-P-atom14 N-ACETYL-D-GLUCOSAMINE-1-P-atom9" order="1"/> <bond id="N-ACETYL-D-GLUCOSAMINE-1-P-bond12" atomRefs="N-ACETYL-D-GLUCOSAMINE-1-P-atom8 N-ACETYL-D-GLUCOSAMINE-1-P-atom19" order="1"/> <bond id="N-ACETYL-D-GLUCOSAMINE-1-P-bond13" atomRefs="N-ACETYL-D-GLUCOSAMINE-1-P-atom7 N-ACETYL-D-GLUCOSAMINE-1-P-atom19" order="1"/> <bond id="N-ACETYL-D-GLUCOSAMINE-1-P-bond14" atomRefs="N-ACETYL-D-GLUCOSAMINE-1-P-atom16 N-ACETYL-D-GLUCOSAMINE-1-P-atom6" order="1"/> <bond id="N-ACETYL-D-GLUCOSAMINE-1-P-bond15" atomRefs="N-ACETYL-D-GLUCOSAMINE-1-P-atom15 N-ACETYL-D-GLUCOSAMINE-1-P-atom5" order="1"/> <bond id="N-ACETYL-D-GLUCOSAMINE-1-P-bond16" atomRefs="N-ACETYL-D-GLUCOSAMINE-1-P-atom4 N-ACETYL-D-GLUCOSAMINE-1-P-atom9" order="1"/> <bond id="N-ACETYL-D-GLUCOSAMINE-1-P-bond17" atomRefs="N-ACETYL-D-GLUCOSAMINE-1-P-atom3 N-ACETYL-D-GLUCOSAMINE-1-P-atom19" order="2"/> <bond id="N-ACETYL-D-GLUCOSAMINE-1-P-bond18" atomRefs="N-ACETYL-D-GLUCOSAMINE-1-P-atom2 N-ACETYL-D-GLUCOSAMINE-1-P-atom13" order="2"/> <bond id="N-ACETYL-D-GLUCOSAMINE-1-P-bond19" atomRefs="N-ACETYL-D-GLUCOSAMINE-1-P-atom1 N-ACETYL-D-GLUCOSAMINE-1-P-atom13" order="1"/> <formula concise="C 8 H 16 N 1 O 9 P 1" formalCharge="0"/> 301.189 CC(=O)NC1(C(OP(O)(O)=O)OC(CO)C(O)C1O)
N-acetyl-D-glucosamine 1-phosphate
N-acetyl-α-D-glucosamine 1-phosphate
Tetrahydrodipicolinate N-acetyltransferase
Glucosamine-phosphate N-acetyltransferase
<atom id="N-ACETYL-D-GLUCOSAMINE-6-P-atom1" elementType="C" x2="10.0741" y2="0.0"/> <atom id="N-ACETYL-D-GLUCOSAMINE-6-P-atom2" elementType="O" x2="7.6492" y2="0.0"/> <atom id="N-ACETYL-D-GLUCOSAMINE-6-P-atom3" elementType="O" x2="1.4225" y2="-5.6257"/> <atom id="N-ACETYL-D-GLUCOSAMINE-6-P-atom4" elementType="O" x2="8.8616" y2="-4.9"/> <atom id="N-ACETYL-D-GLUCOSAMINE-6-P-atom5" elementType="O" x2="4.0119" y2="-2.1"/> <atom id="N-ACETYL-D-GLUCOSAMINE-6-P-atom6" elementType="O" x2="6.4368" y2="-0.7"/> <atom id="N-ACETYL-D-GLUCOSAMINE-6-P-atom7" elementType="O" x2="1.3974" y2="-2.8259"/> <atom id="N-ACETYL-D-GLUCOSAMINE-6-P-atom8" elementType="O" x2="0.0" y2="-4.2555"/> <atom id="N-ACETYL-D-GLUCOSAMINE-6-P-atom9" elementType="C" x2="4.0119" y2="-4.9"/> <atom id="N-ACETYL-D-GLUCOSAMINE-6-P-atom10" elementType="N" x2="8.8616" y2="-2.1"/> <atom id="N-ACETYL-D-GLUCOSAMINE-6-P-atom11" elementType="O" x2="2.7994" y2="-4.2"/> <atom id="N-ACETYL-D-GLUCOSAMINE-6-P-atom12" elementType="O" x2="6.4368" y2="-4.9"/> <atom id="N-ACETYL-D-GLUCOSAMINE-6-P-atom13" elementType="C" x2="8.8616" y2="-0.7"/> <atom id="N-ACETYL-D-GLUCOSAMINE-6-P-atom14" elementType="C" x2="7.6492" y2="-4.2"/> <atom id="N-ACETYL-D-GLUCOSAMINE-6-P-atom15" elementType="C" x2="5.2243" y2="-4.2"/> <atom id="N-ACETYL-D-GLUCOSAMINE-6-P-atom16" elementType="C" x2="5.2243" y2="-2.8"/> <atom id="N-ACETYL-D-GLUCOSAMINE-6-P-atom17" elementType="C" x2="6.4368" y2="-2.1"/> <atom id="N-ACETYL-D-GLUCOSAMINE-6-P-atom18" elementType="C" x2="7.6492" y2="-2.8"/> <atom id="N-ACETYL-D-GLUCOSAMINE-6-P-atom19" elementType="P" x2="1.3997" y2="-4.2259"/> <bond id="N-ACETYL-D-GLUCOSAMINE-6-P-bond1" atomRefs="N-ACETYL-D-GLUCOSAMINE-6-P-atom17 N-ACETYL-D-GLUCOSAMINE-6-P-atom18" order="1"/> <bond id="N-ACETYL-D-GLUCOSAMINE-6-P-bond2" atomRefs="N-ACETYL-D-GLUCOSAMINE-6-P-atom16 N-ACETYL-D-GLUCOSAMINE-6-P-atom17" order="1"/> <bond id="N-ACETYL-D-GLUCOSAMINE-6-P-bond3" atomRefs="N-ACETYL-D-GLUCOSAMINE-6-P-atom15 N-ACETYL-D-GLUCOSAMINE-6-P-atom16" order="1"/> <bond id="N-ACETYL-D-GLUCOSAMINE-6-P-bond4" atomRefs="N-ACETYL-D-GLUCOSAMINE-6-P-atom14 N-ACETYL-D-GLUCOSAMINE-6-P-atom18" order="1"/> <bond id="N-ACETYL-D-GLUCOSAMINE-6-P-bond5" atomRefs="N-ACETYL-D-GLUCOSAMINE-6-P-atom12 N-ACETYL-D-GLUCOSAMINE-6-P-atom15" order="1"/> <bond id="N-ACETYL-D-GLUCOSAMINE-6-P-bond6" atomRefs="N-ACETYL-D-GLUCOSAMINE-6-P-atom12 N-ACETYL-D-GLUCOSAMINE-6-P-atom14" order="1"/> <bond id="N-ACETYL-D-GLUCOSAMINE-6-P-bond7" atomRefs="N-ACETYL-D-GLUCOSAMINE-6-P-atom11 N-ACETYL-D-GLUCOSAMINE-6-P-atom19" order="1"/> <bond id="N-ACETYL-D-GLUCOSAMINE-6-P-bond8" atomRefs="N-ACETYL-D-GLUCOSAMINE-6-P-atom18 N-ACETYL-D-GLUCOSAMINE-6-P-atom10" order="1"/> <bond id="N-ACETYL-D-GLUCOSAMINE-6-P-bond9" atomRefs="N-ACETYL-D-GLUCOSAMINE-6-P-atom10 N-ACETYL-D-GLUCOSAMINE-6-P-atom13" order="1"/> <bond id="N-ACETYL-D-GLUCOSAMINE-6-P-bond10" atomRefs="N-ACETYL-D-GLUCOSAMINE-6-P-atom15 N-ACETYL-D-GLUCOSAMINE-6-P-atom9" order="1"/> <bond id="N-ACETYL-D-GLUCOSAMINE-6-P-bond11" atomRefs="N-ACETYL-D-GLUCOSAMINE-6-P-atom9 N-ACETYL-D-GLUCOSAMINE-6-P-atom11" order="1"/> <bond id="N-ACETYL-D-GLUCOSAMINE-6-P-bond12" atomRefs="N-ACETYL-D-GLUCOSAMINE-6-P-atom8 N-ACETYL-D-GLUCOSAMINE-6-P-atom19" order="1"/> <bond id="N-ACETYL-D-GLUCOSAMINE-6-P-bond13" atomRefs="N-ACETYL-D-GLUCOSAMINE-6-P-atom7 N-ACETYL-D-GLUCOSAMINE-6-P-atom19" order="1"/> <bond id="N-ACETYL-D-GLUCOSAMINE-6-P-bond14" atomRefs="N-ACETYL-D-GLUCOSAMINE-6-P-atom17 N-ACETYL-D-GLUCOSAMINE-6-P-atom6" order="1"/> <bond id="N-ACETYL-D-GLUCOSAMINE-6-P-bond15" atomRefs="N-ACETYL-D-GLUCOSAMINE-6-P-atom16 N-ACETYL-D-GLUCOSAMINE-6-P-atom5" order="1"/> <bond id="N-ACETYL-D-GLUCOSAMINE-6-P-bond16" atomRefs="N-ACETYL-D-GLUCOSAMINE-6-P-atom4 N-ACETYL-D-GLUCOSAMINE-6-P-atom14" order="1"/> <bond id="N-ACETYL-D-GLUCOSAMINE-6-P-bond17" atomRefs="N-ACETYL-D-GLUCOSAMINE-6-P-atom3 N-ACETYL-D-GLUCOSAMINE-6-P-atom19" order="2"/> <bond id="N-ACETYL-D-GLUCOSAMINE-6-P-bond18" atomRefs="N-ACETYL-D-GLUCOSAMINE-6-P-atom2 N-ACETYL-D-GLUCOSAMINE-6-P-atom13" order="2"/> <bond id="N-ACETYL-D-GLUCOSAMINE-6-P-bond19" atomRefs="N-ACETYL-D-GLUCOSAMINE-6-P-atom1 N-ACETYL-D-GLUCOSAMINE-6-P-atom13" order="1"/> <formula concise="C 8 H 16 N 1 O 9 P 1" formalCharge="0"/> 301.189 CC(=O)NC1(C(O)C(O)C(OC1O)COP(O)(O)=O)
<atom id="ACETYL-GLU-atom1" elementType="O" x2="-1.0" y2="0.55224"/> <atom id="ACETYL-GLU-atom2" elementType="C" x2="-0.53897" y2="-0.05473"/> <atom id="ACETYL-GLU-atom3" elementType="C" x2="0.99668" y2="-0.3267"/> <atom id="ACETYL-GLU-atom4" elementType="C" x2="-0.48922" y2="-0.66833"/> <atom id="ACETYL-GLU-atom5" elementType="O" x2="-0.93367" y2="-0.66833"/> <atom id="ACETYL-GLU-atom6" elementType="C" x2="0.62852" y2="-0.07794"/> <atom id="ACETYL-GLU-atom7" elementType="N" x2="0.2869" y2="-0.33002"/> <atom id="ACETYL-GLU-atom8" elementType="C" x2="-0.21061" y2="0.29022"/> <atom id="ACETYL-GLU-atom9" elementType="O" x2="0.62852" y2="0.3665"/> <atom id="ACETYL-GLU-atom10" elementType="C" x2="-0.22388" y2="-0.33002"/> <atom id="ACETYL-GLU-atom11" elementType="O" x2="-0.15755" y2="0.75124"/> <atom id="ACETYL-GLU-atom12" elementType="O" x2="-0.19403" y2="-1.0"/> <atom id="ACETYL-GLU-atom13" elementType="C" x2="-0.55556" y2="0.55224"/> <bond id="ACETYL-GLU-bond1" atomRefs="ACETYL-GLU-atom13 ACETYL-GLU-atom8" order="1"/> <bond id="ACETYL-GLU-bond2" atomRefs="ACETYL-GLU-atom12 ACETYL-GLU-atom4" order="1"/> <bond id="ACETYL-GLU-bond3" atomRefs="ACETYL-GLU-atom11 ACETYL-GLU-atom13" order="1"/> <bond id="ACETYL-GLU-bond4" atomRefs="ACETYL-GLU-atom10 ACETYL-GLU-atom4" order="1"/> <bond id="ACETYL-GLU-bond5" atomRefs="ACETYL-GLU-atom9 ACETYL-GLU-atom6" order="2"/> <bond id="ACETYL-GLU-bond6" atomRefs="ACETYL-GLU-atom8 ACETYL-GLU-atom2" order="1"/> <bond id="ACETYL-GLU-bond7" atomRefs="ACETYL-GLU-atom7 ACETYL-GLU-atom10" order="1"/> <bond id="ACETYL-GLU-bond8" atomRefs="ACETYL-GLU-atom6 ACETYL-GLU-atom7" order="1"/> <bond id="ACETYL-GLU-bond9" atomRefs="ACETYL-GLU-atom5 ACETYL-GLU-atom4" order="2"/> <bond id="ACETYL-GLU-bond10" atomRefs="ACETYL-GLU-atom3 ACETYL-GLU-atom6" order="1"/> <bond id="ACETYL-GLU-bond11" atomRefs="ACETYL-GLU-atom2 ACETYL-GLU-atom10" order="1"/> <bond id="ACETYL-GLU-bond12" atomRefs="ACETYL-GLU-atom1 ACETYL-GLU-atom13" order="2"/> <formula concise="C 7 H 11 N 1 O 5" formalCharge="0"/> 189.168 CC(=O)NC(C(O)=O)CCC(O)=O
<atom id="ACETYL-P-atom1" elementType="C" x2="-1.0" y2="-0.44054"/> <atom id="ACETYL-P-atom2" elementType="P" x2="0.44054" y2="-0.44389"/> <atom id="ACETYL-P-atom3" elementType="O" x2="0.99665" y2="-0.44389"/> <atom id="ACETYL-P-atom4" elementType="O" x2="0.44054" y2="0.11223"/> <atom id="ACETYL-P-atom5" elementType="O" x2="-0.05528" y2="-0.44389"/> <atom id="ACETYL-P-atom6" elementType="O" x2="0.44054" y2="-1.0"/> <atom id="ACETYL-P-atom7" elementType="C" x2="-0.57119" y2="-0.08878"/> <atom id="ACETYL-P-atom8" elementType="O" x2="-0.57119" y2="0.46734"/> <bond id="ACETYL-P-bond1" atomRefs="ACETYL-P-atom8 ACETYL-P-atom7" order="2"/> <bond id="ACETYL-P-bond2" atomRefs="ACETYL-P-atom7 ACETYL-P-atom5" order="1"/> <bond id="ACETYL-P-bond3" atomRefs="ACETYL-P-atom6 ACETYL-P-atom2" order="1"/> <bond id="ACETYL-P-bond4" atomRefs="ACETYL-P-atom5 ACETYL-P-atom2" order="1"/> <bond id="ACETYL-P-bond5" atomRefs="ACETYL-P-atom4 ACETYL-P-atom2" order="2"/> <bond id="ACETYL-P-bond6" atomRefs="ACETYL-P-atom3 ACETYL-P-atom2" order="1"/> <bond id="ACETYL-P-bond7" atomRefs="ACETYL-P-atom1 ACETYL-P-atom7" order="1"/> <formula concise="C 2 H 5 O 5 P 1" formalCharge="0"/> 140.032 CC(=O)OP(=O)(O)O
<atom id="BUTYRYL-P-atom1" elementType="O" x2="0.06931" y2="0.37624"/> <atom id="BUTYRYL-P-atom2" elementType="C" x2="0.0363" y2="-1.0"/> <atom id="BUTYRYL-P-atom3" elementType="O" x2="-0.46535" y2="0.91089"/> <atom id="BUTYRYL-P-atom4" elementType="O" x2="-1.0" y2="0.37624"/> <atom id="BUTYRYL-P-atom5" elementType="O" x2="-0.46535" y2="-0.14191"/> <atom id="BUTYRYL-P-atom6" elementType="C" x2="-0.46535" y2="-0.71287"/> <atom id="BUTYRYL-P-atom7" elementType="O" x2="-0.93069" y2="-0.9802"/> <atom id="BUTYRYL-P-atom8" elementType="P" x2="-0.46535" y2="0.37624"/> <atom id="BUTYRYL-P-atom9" elementType="C" x2="0.53135" y2="-0.71947"/> <atom id="BUTYRYL-P-atom10" elementType="C" x2="0.9967" y2="-0.9835"/> <bond id="BUTYRYL-P-bond1" atomRefs="BUTYRYL-P-atom10 BUTYRYL-P-atom9" order="1"/> <bond id="BUTYRYL-P-bond2" atomRefs="BUTYRYL-P-atom9 BUTYRYL-P-atom2" order="1"/> <bond id="BUTYRYL-P-bond3" atomRefs="BUTYRYL-P-atom8 BUTYRYL-P-atom3" order="2"/> <bond id="BUTYRYL-P-bond4" atomRefs="BUTYRYL-P-atom8 BUTYRYL-P-atom1" order="1"/> <bond id="BUTYRYL-P-bond5" atomRefs="BUTYRYL-P-atom7 BUTYRYL-P-atom6" order="2"/> <bond id="BUTYRYL-P-bond6" atomRefs="BUTYRYL-P-atom5 BUTYRYL-P-atom6" order="1"/> <bond id="BUTYRYL-P-bond7" atomRefs="BUTYRYL-P-atom5 BUTYRYL-P-atom8" order="1"/> <bond id="BUTYRYL-P-bond8" atomRefs="BUTYRYL-P-atom4 BUTYRYL-P-atom8" order="1"/> <bond id="BUTYRYL-P-bond9" atomRefs="BUTYRYL-P-atom2 BUTYRYL-P-atom6" order="1"/> <formula concise="C 4 H 9 O 5 P 1" formalCharge="0"/> 168.086 C(OP(O)(=O)O)(=O)CCC
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TDP-FUC4NAC-atom35" order="1"/> <bond id="TDP-FUC4NAC-bond3" atomRefs="TDP-FUC4NAC-atom31 TDP-FUC4NAC-atom34" order="1"/> <bond id="TDP-FUC4NAC-bond4" atomRefs="TDP-FUC4NAC-atom31 TDP-FUC4NAC-atom32" order="1"/> <bond id="TDP-FUC4NAC-bond5" atomRefs="TDP-FUC4NAC-atom29 TDP-FUC4NAC-atom30" order="1"/> <bond id="TDP-FUC4NAC-bond6" atomRefs="TDP-FUC4NAC-atom28 TDP-FUC4NAC-atom35" order="1"/> <bond id="TDP-FUC4NAC-bond7" atomRefs="TDP-FUC4NAC-atom27 TDP-FUC4NAC-atom37" order="A"/> <bond id="TDP-FUC4NAC-bond8" atomRefs="TDP-FUC4NAC-atom36 TDP-FUC4NAC-atom27" order="A"/> <bond id="TDP-FUC4NAC-bond9" atomRefs="TDP-FUC4NAC-atom26 TDP-FUC4NAC-atom36" order="A"/> <bond id="TDP-FUC4NAC-bond10" atomRefs="TDP-FUC4NAC-atom25 TDP-FUC4NAC-atom26" order="A"/> <bond id="TDP-FUC4NAC-bond11" atomRefs="TDP-FUC4NAC-atom23 TDP-FUC4NAC-atom39" order="1"/> <bond id="TDP-FUC4NAC-bond12" atomRefs="TDP-FUC4NAC-atom23 TDP-FUC4NAC-atom38" order="1"/> <bond id="TDP-FUC4NAC-bond13" atomRefs="TDP-FUC4NAC-atom22 TDP-FUC4NAC-atom39" order="1"/> <bond id="TDP-FUC4NAC-bond14" atomRefs="TDP-FUC4NAC-atom34 TDP-FUC4NAC-atom22" order="1"/> <bond id="TDP-FUC4NAC-bond15" atomRefs="TDP-FUC4NAC-atom21 TDP-FUC4NAC-atom33" order="1"/> <bond id="TDP-FUC4NAC-bond16" atomRefs="TDP-FUC4NAC-atom21 TDP-FUC4NAC-atom30" order="1"/> <bond id="TDP-FUC4NAC-bond17" atomRefs="TDP-FUC4NAC-atom20 TDP-FUC4NAC-atom34" order="1"/> <bond id="TDP-FUC4NAC-bond18" atomRefs="TDP-FUC4NAC-atom20 TDP-FUC4NAC-atom28" order="1"/> <bond id="TDP-FUC4NAC-bond19" atomRefs="TDP-FUC4NAC-atom19 TDP-FUC4NAC-atom38" order="1"/> <bond id="TDP-FUC4NAC-bond20" atomRefs="TDP-FUC4NAC-atom35 TDP-FUC4NAC-atom18" order="1"/> <bond id="TDP-FUC4NAC-bond21" atomRefs="TDP-FUC4NAC-atom18 TDP-FUC4NAC-atom24" order="1"/> <bond id="TDP-FUC4NAC-bond22" atomRefs="TDP-FUC4NAC-atom17 TDP-FUC4NAC-atom33" order="1"/> <bond id="TDP-FUC4NAC-bond23" atomRefs="TDP-FUC4NAC-atom17 TDP-FUC4NAC-atom29" order="1"/> <bond id="TDP-FUC4NAC-bond24" atomRefs="TDP-FUC4NAC-atom16 TDP-FUC4NAC-atom30" order="1"/> <bond id="TDP-FUC4NAC-bond25" atomRefs="TDP-FUC4NAC-atom16 TDP-FUC4NAC-atom19" order="1"/> <bond id="TDP-FUC4NAC-bond26" atomRefs="TDP-FUC4NAC-atom37 TDP-FUC4NAC-atom15" order="A"/> <bond id="TDP-FUC4NAC-bond27" atomRefs="TDP-FUC4NAC-atom15 TDP-FUC4NAC-atom25" order="A"/> <bond id="TDP-FUC4NAC-bond28" atomRefs="TDP-FUC4NAC-atom14 TDP-FUC4NAC-atom39" order="1"/> <bond id="TDP-FUC4NAC-bond29" atomRefs="TDP-FUC4NAC-atom13 TDP-FUC4NAC-atom38" order="1"/> <bond id="TDP-FUC4NAC-bond30" atomRefs="TDP-FUC4NAC-atom32 TDP-FUC4NAC-atom12" order="1"/> <bond id="TDP-FUC4NAC-bond31" atomRefs="TDP-FUC4NAC-atom31 TDP-FUC4NAC-atom11" order="1"/> <bond id="TDP-FUC4NAC-bond32" atomRefs="TDP-FUC4NAC-atom10 TDP-FUC4NAC-atom29" order="1"/> <bond id="TDP-FUC4NAC-bond33" atomRefs="TDP-FUC4NAC-atom9 TDP-FUC4NAC-atom39" order="2"/> <bond id="TDP-FUC4NAC-bond34" atomRefs="TDP-FUC4NAC-atom8 TDP-FUC4NAC-atom38" order="2"/> <bond id="TDP-FUC4NAC-bond35" atomRefs="TDP-FUC4NAC-atom7 TDP-FUC4NAC-atom27" order="2"/> <bond id="TDP-FUC4NAC-bond36" atomRefs="TDP-FUC4NAC-atom6 TDP-FUC4NAC-atom26" order="2"/> <bond id="TDP-FUC4NAC-bond37" atomRefs="TDP-FUC4NAC-atom5 TDP-FUC4NAC-atom24" order="2"/> <bond id="TDP-FUC4NAC-bond38" atomRefs="TDP-FUC4NAC-atom28 TDP-FUC4NAC-atom4" order="1"/> <bond id="TDP-FUC4NAC-bond39" atomRefs="TDP-FUC4NAC-atom3 TDP-FUC4NAC-atom25" order="1"/> <bond id="TDP-FUC4NAC-bond40" atomRefs="TDP-FUC4NAC-atom2 TDP-FUC4NAC-atom24" order="1"/> <bond id="TDP-FUC4NAC-bond41" atomRefs="TDP-FUC4NAC-atom1 TDP-FUC4NAC-atom36" order="1"/> <formula concise="C 18 H 29 N 3 O 15 P 2" formalCharge="0"/> 589.386 CC(=O)NC1(C(O)C(O)C(OC1C)OP(=O)(O)OP(=O)(O)OCC2(OC(CC2O)n3(c(=O)[nH]c(=O)c(c3)C)))
2,3,4,5-tetrahydropyridine-2-carboxylate N-succinyltransferase
<atom id="N-SUCCINYL-2-AMINO-6-KETOPIMELATE-atom1" elementType="O" x2="0.6907" y2="-3.4337"/> <atom id="N-SUCCINYL-2-AMINO-6-KETOPIMELATE-atom2" elementType="O" x2="1.4043" y2="-1.3938"/> <atom id="N-SUCCINYL-2-AMINO-6-KETOPIMELATE-atom3" elementType="O" x2="0.0" y2="-2.2188"/> <atom id="N-SUCCINYL-2-AMINO-6-KETOPIMELATE-atom4" elementType="C" x2="0.6907" y2="-2.619"/> <atom id="N-SUCCINYL-2-AMINO-6-KETOPIMELATE-atom5" elementType="C" x2="1.3947" y2="-2.2188"/> <atom id="N-SUCCINYL-2-AMINO-6-KETOPIMELATE-atom6" elementType="C" x2="3.8485" y2="-0.654"/> <atom id="N-SUCCINYL-2-AMINO-6-KETOPIMELATE-atom7" elementType="C" x2="4.2904" y2="0.0426"/> <atom id="N-SUCCINYL-2-AMINO-6-KETOPIMELATE-atom8" elementType="C" x2="3.9081" y2="0.7737"/> <atom id="N-SUCCINYL-2-AMINO-6-KETOPIMELATE-atom9" elementType="C" x2="4.3501" y2="1.4703"/> <atom id="N-SUCCINYL-2-AMINO-6-KETOPIMELATE-atom10" elementType="O" x2="5.1744" y2="1.4359"/> <atom id="N-SUCCINYL-2-AMINO-6-KETOPIMELATE-atom11" elementType="O" x2="3.9678" y2="2.2014"/> <atom id="N-SUCCINYL-2-AMINO-6-KETOPIMELATE-atom12" elementType="O" x2="3.0242" y2="-0.6195"/> <atom id="N-SUCCINYL-2-AMINO-6-KETOPIMELATE-atom13" elementType="N" x2="4.2308" y2="-1.3851"/> <atom id="N-SUCCINYL-2-AMINO-6-KETOPIMELATE-atom14" elementType="C" x2="2.0853" y2="-2.619"/> <atom id="N-SUCCINYL-2-AMINO-6-KETOPIMELATE-atom15" elementType="C" x2="2.8005" y2="-2.2077"/> <atom id="N-SUCCINYL-2-AMINO-6-KETOPIMELATE-atom16" elementType="C" x2="3.5143" y2="-2.6214"/> <atom id="N-SUCCINYL-2-AMINO-6-KETOPIMELATE-atom17" elementType="C" x2="4.2294" y2="-2.21"/> <atom id="N-SUCCINYL-2-AMINO-6-KETOPIMELATE-atom18" elementType="C" x2="4.9432" y2="-2.6237"/> <atom id="N-SUCCINYL-2-AMINO-6-KETOPIMELATE-atom19" elementType="O" x2="4.9419" y2="-3.4487"/> <atom id="N-SUCCINYL-2-AMINO-6-KETOPIMELATE-atom20" elementType="O" x2="5.6584" y2="-2.2124"/> <bond id="N-SUCCINYL-2-AMINO-6-KETOPIMELATE-bond1" atomRefs="N-SUCCINYL-2-AMINO-6-KETOPIMELATE-atom17 N-SUCCINYL-2-AMINO-6-KETOPIMELATE-atom13" order="1"/> <bond id="N-SUCCINYL-2-AMINO-6-KETOPIMELATE-bond2" atomRefs="N-SUCCINYL-2-AMINO-6-KETOPIMELATE-atom18 N-SUCCINYL-2-AMINO-6-KETOPIMELATE-atom19" order="2"/> <bond id="N-SUCCINYL-2-AMINO-6-KETOPIMELATE-bond3" atomRefs="N-SUCCINYL-2-AMINO-6-KETOPIMELATE-atom18 N-SUCCINYL-2-AMINO-6-KETOPIMELATE-atom20" order="1"/> <bond id="N-SUCCINYL-2-AMINO-6-KETOPIMELATE-bond4" atomRefs="N-SUCCINYL-2-AMINO-6-KETOPIMELATE-atom17 N-SUCCINYL-2-AMINO-6-KETOPIMELATE-atom18" order="1"/> <bond id="N-SUCCINYL-2-AMINO-6-KETOPIMELATE-bond5" atomRefs="N-SUCCINYL-2-AMINO-6-KETOPIMELATE-atom16 N-SUCCINYL-2-AMINO-6-KETOPIMELATE-atom17" order="1"/> <bond id="N-SUCCINYL-2-AMINO-6-KETOPIMELATE-bond6" atomRefs="N-SUCCINYL-2-AMINO-6-KETOPIMELATE-atom15 N-SUCCINYL-2-AMINO-6-KETOPIMELATE-atom16" order="1"/> <bond id="N-SUCCINYL-2-AMINO-6-KETOPIMELATE-bond7" atomRefs="N-SUCCINYL-2-AMINO-6-KETOPIMELATE-atom14 N-SUCCINYL-2-AMINO-6-KETOPIMELATE-atom15" order="1"/> <bond id="N-SUCCINYL-2-AMINO-6-KETOPIMELATE-bond8" atomRefs="N-SUCCINYL-2-AMINO-6-KETOPIMELATE-atom6 N-SUCCINYL-2-AMINO-6-KETOPIMELATE-atom12" order="2"/> <bond id="N-SUCCINYL-2-AMINO-6-KETOPIMELATE-bond9" atomRefs="N-SUCCINYL-2-AMINO-6-KETOPIMELATE-atom9 N-SUCCINYL-2-AMINO-6-KETOPIMELATE-atom10" order="2"/> <bond id="N-SUCCINYL-2-AMINO-6-KETOPIMELATE-bond10" atomRefs="N-SUCCINYL-2-AMINO-6-KETOPIMELATE-atom9 N-SUCCINYL-2-AMINO-6-KETOPIMELATE-atom11" order="1"/> <bond id="N-SUCCINYL-2-AMINO-6-KETOPIMELATE-bond11" atomRefs="N-SUCCINYL-2-AMINO-6-KETOPIMELATE-atom8 N-SUCCINYL-2-AMINO-6-KETOPIMELATE-atom9" order="1"/> <bond id="N-SUCCINYL-2-AMINO-6-KETOPIMELATE-bond12" atomRefs="N-SUCCINYL-2-AMINO-6-KETOPIMELATE-atom7 N-SUCCINYL-2-AMINO-6-KETOPIMELATE-atom8" order="1"/> <bond id="N-SUCCINYL-2-AMINO-6-KETOPIMELATE-bond13" atomRefs="N-SUCCINYL-2-AMINO-6-KETOPIMELATE-atom6 N-SUCCINYL-2-AMINO-6-KETOPIMELATE-atom13" order="1"/> <bond id="N-SUCCINYL-2-AMINO-6-KETOPIMELATE-bond14" atomRefs="N-SUCCINYL-2-AMINO-6-KETOPIMELATE-atom6 N-SUCCINYL-2-AMINO-6-KETOPIMELATE-atom7" order="1"/> <bond id="N-SUCCINYL-2-AMINO-6-KETOPIMELATE-bond15" atomRefs="N-SUCCINYL-2-AMINO-6-KETOPIMELATE-atom1 N-SUCCINYL-2-AMINO-6-KETOPIMELATE-atom4" order="2"/> <bond id="N-SUCCINYL-2-AMINO-6-KETOPIMELATE-bond16" atomRefs="N-SUCCINYL-2-AMINO-6-KETOPIMELATE-atom2 N-SUCCINYL-2-AMINO-6-KETOPIMELATE-atom5" order="2"/> <bond id="N-SUCCINYL-2-AMINO-6-KETOPIMELATE-bond17" atomRefs="N-SUCCINYL-2-AMINO-6-KETOPIMELATE-atom3 N-SUCCINYL-2-AMINO-6-KETOPIMELATE-atom4" order="1"/> <bond id="N-SUCCINYL-2-AMINO-6-KETOPIMELATE-bond18" atomRefs="N-SUCCINYL-2-AMINO-6-KETOPIMELATE-atom14 N-SUCCINYL-2-AMINO-6-KETOPIMELATE-atom5" order="1"/> <bond id="N-SUCCINYL-2-AMINO-6-KETOPIMELATE-bond19" atomRefs="N-SUCCINYL-2-AMINO-6-KETOPIMELATE-atom4 N-SUCCINYL-2-AMINO-6-KETOPIMELATE-atom5" order="1"/> <formula concise="C 11 H 15 N 1 O 8" formalCharge="0"/> 289.241 C(O)(=O)C(=O)CCCC(C(=O)O)NC(=O)CCC(=O)O
Tetrahydrodipicolinate N-succinyltransferase
<atom id="TYRAMINE-atom1" elementType="C" x2="-0.33333" y2="-0.23762"/> <atom id="TYRAMINE-atom2" elementType="C" x2="0.32673" y2="-0.23762"/> <atom id="TYRAMINE-atom3" elementType="O" x2="-1.0" y2="-1.0"/> <atom id="TYRAMINE-atom4" elementType="C" x2="0.66337" y2="-0.42904"/> <atom id="TYRAMINE-atom5" elementType="C" x2="-0.33333" y2="-1.0"/> <atom id="TYRAMINE-atom6" elementType="N" x2="0.9967" y2="-0.23762"/> <atom id="TYRAMINE-atom7" elementType="C" x2="-0.0033" y2="-0.42904"/> <atom id="TYRAMINE-atom8" elementType="C" x2="-0.0033" y2="-0.81188"/> <atom id="TYRAMINE-atom9" elementType="C" x2="-0.66667" y2="-0.42904"/> <atom id="TYRAMINE-atom10" elementType="C" x2="-0.66667" y2="-0.81188"/> <bond id="TYRAMINE-bond1" atomRefs="TYRAMINE-atom9 TYRAMINE-atom10" order="A"/> <bond id="TYRAMINE-bond2" atomRefs="TYRAMINE-atom8 TYRAMINE-atom7" order="A"/> <bond id="TYRAMINE-bond3" atomRefs="TYRAMINE-atom5 TYRAMINE-atom8" order="A"/> <bond id="TYRAMINE-bond4" atomRefs="TYRAMINE-atom7 TYRAMINE-atom1" order="A"/> <bond id="TYRAMINE-bond5" atomRefs="TYRAMINE-atom6 TYRAMINE-atom4" order="1"/> <bond id="TYRAMINE-bond6" atomRefs="TYRAMINE-atom10 TYRAMINE-atom5" order="A"/> <bond id="TYRAMINE-bond7" atomRefs="TYRAMINE-atom4 TYRAMINE-atom2" order="1"/> <bond id="TYRAMINE-bond8" atomRefs="TYRAMINE-atom3 TYRAMINE-atom10" order="1"/> <bond id="TYRAMINE-bond9" atomRefs="TYRAMINE-atom2 TYRAMINE-atom7" order="1"/> <bond id="TYRAMINE-bond10" atomRefs="TYRAMINE-atom1 TYRAMINE-atom9" order="A"/> <formula concise="C 8 H 11 N 1 O 1" formalCharge="0"/> 137.181 C(N)Cc1(ccc(O)cc1)
<atom id="CPD-440-atom1" elementType="C" x2="2.6208" y2="6.0125"/> <atom id="CPD-440-atom2" elementType="C" x2="2.6208" y2="6.7708"/> <atom id="CPD-440-atom3" elementType="C" x2="3.2704" y2="7.1542"/> <atom id="CPD-440-atom4" elementType="C" x2="3.9282" y2="6.7708"/> <atom id="CPD-440-atom5" elementType="C" x2="3.9282" y2="6.0125"/> <atom id="CPD-440-atom6" elementType="C" x2="3.2704" y2="5.6375"/> <atom id="CPD-440-atom7" elementType="C" x2="3.2683" y2="4.8875"/> <atom id="CPD-440-atom8" elementType="C" x2="3.9168" y2="4.5107"/> <atom id="CPD-440-atom9" elementType="N" x2="4.5673" y2="4.8839"/> <atom id="CPD-440-atom10" elementType="O" x2="3.2683" y2="7.9042"/> <atom id="CPD-440-atom11" elementType="C" x2="6.7529" y2="2.1835"/> <atom id="CPD-440-atom12" elementType="C" x2="6.7498" y2="1.4252"/> <atom id="CPD-440-atom13" elementType="C" x2="6.0987" y2="1.0445"/> <atom id="CPD-440-atom14" elementType="C" x2="5.4424" y2="1.4305"/> <atom id="CPD-440-atom15" elementType="C" x2="5.4455" y2="2.1888"/> <atom id="CPD-440-atom16" elementType="C" x2="6.1049" y2="2.5611"/> <atom id="CPD-440-atom17" elementType="O" x2="6.0977" y2="0.2945"/> <atom id="CPD-440-atom18" elementType="C" x2="6.11" y2="3.3111"/> <atom id="CPD-440-atom19" elementType="C" x2="5.4631" y2="3.6906"/> <atom id="CPD-440-atom20" elementType="C" x2="5.4682" y2="4.4406"/> <atom id="CPD-440-atom21" elementType="O" x2="6.1216" y2="4.809"/> <atom id="CPD-440-atom22" elementType="O" x2="4.7807" y2="1.0538"/> <atom id="CPD-440-atom23" elementType="C" x2="4.1236" y2="1.4385"/> <bond id="CPD-440-bond1" atomRefs="CPD-440-atom22 CPD-440-atom23" order="1"/> <bond id="CPD-440-bond2" atomRefs="CPD-440-atom1 CPD-440-atom6" order="A"/> <bond id="CPD-440-bond3" atomRefs="CPD-440-atom14 CPD-440-atom22" order="1"/> <bond id="CPD-440-bond4" atomRefs="CPD-440-atom19 CPD-440-atom20" order="1"/> <bond id="CPD-440-bond5" atomRefs="CPD-440-atom20 CPD-440-atom21" order="2"/> <bond id="CPD-440-bond6" atomRefs="CPD-440-atom20 CPD-440-atom9" order="1"/> <bond id="CPD-440-bond7" atomRefs="CPD-440-atom18 CPD-440-atom19" order="2"/> <bond id="CPD-440-bond8" atomRefs="CPD-440-atom16 CPD-440-atom18" order="1"/> <bond id="CPD-440-bond9" atomRefs="CPD-440-atom13 CPD-440-atom17" order="1"/> <bond id="CPD-440-bond10" atomRefs="CPD-440-atom16 CPD-440-atom15" order="A"/> <bond id="CPD-440-bond11" atomRefs="CPD-440-atom15 CPD-440-atom14" order="A"/> <bond id="CPD-440-bond12" atomRefs="CPD-440-atom14 CPD-440-atom13" order="A"/> <bond id="CPD-440-bond13" atomRefs="CPD-440-atom13 CPD-440-atom12" order="A"/> <bond id="CPD-440-bond14" atomRefs="CPD-440-atom12 CPD-440-atom11" order="A"/> <bond id="CPD-440-bond15" atomRefs="CPD-440-atom11 CPD-440-atom16" order="A"/> <bond id="CPD-440-bond16" atomRefs="CPD-440-atom3 CPD-440-atom10" order="1"/> <bond id="CPD-440-bond17" atomRefs="CPD-440-atom8 CPD-440-atom9" order="1"/> <bond id="CPD-440-bond18" atomRefs="CPD-440-atom7 CPD-440-atom8" order="1"/> <bond id="CPD-440-bond19" atomRefs="CPD-440-atom6 CPD-440-atom7" order="1"/> <bond id="CPD-440-bond20" atomRefs="CPD-440-atom6 CPD-440-atom5" order="A"/> <bond id="CPD-440-bond21" atomRefs="CPD-440-atom5 CPD-440-atom4" order="A"/> <bond id="CPD-440-bond22" atomRefs="CPD-440-atom4 CPD-440-atom3" order="A"/> <bond id="CPD-440-bond23" atomRefs="CPD-440-atom3 CPD-440-atom2" order="A"/> <bond id="CPD-440-bond24" atomRefs="CPD-440-atom2 CPD-440-atom1" order="A"/> <formula concise="C 18 H 19 N 1 O 4" formalCharge="0"/> 313.352 C(Cc1(ccc(O)cc1))NC(=O)C=Cc2(cc(OC)c(O)cc2)
<cml> <molecule id="5-L-GLUTAMYL-L-AMINO-ACID" title="(5-L-glutamyl)-L-amino acid" dictRef="dict5-L-GLUTAMYL-L-AMINO-ACID"> <atomArray> <atom id="5-L-GLUTAMYL-L-AMINO-ACID-atom1" elementType="N" x2="8.487" y2="0.0"/> <atom id="5-L-GLUTAMYL-L-AMINO-ACID-atom2" elementType="O" x2="9.6996" y2="-3.5"/> <atom id="5-L-GLUTAMYL-L-AMINO-ACID-atom3" elementType="O" x2="1.2124" y2="-2.0e-4"/> <atom id="5-L-GLUTAMYL-L-AMINO-ACID-atom4" elementType="O" x2="4.8498" y2="-3.5001"/> <atom id="5-L-GLUTAMYL-L-AMINO-ACID-atom5" elementType="O" x2="10.9119" y2="-1.4"/> <atom id="5-L-GLUTAMYL-L-AMINO-ACID-atom6" elementType="O" x2="0.0" y2="-2.1002"/> <atom id="5-L-GLUTAMYL-L-AMINO-ACID-atom7" elementType="R" x2="2.4249" y2="-3.5001"/> <atom id="5-L-GLUTAMYL-L-AMINO-ACID-atom8" elementType="C" x2="6.0622" y2="-1.4001"/> <atom id="5-L-GLUTAMYL-L-AMINO-ACID-atom9" elementType="C" x2="7.2746" y2="-2.1"/> <atom id="5-L-GLUTAMYL-L-AMINO-ACID-atom10" elementType="N" x2="3.6373" y2="-1.4001"/> <atom id="5-L-GLUTAMYL-L-AMINO-ACID-atom11" elementType="C" x2="9.6995" y2="-2.1"/> <atom id="5-L-GLUTAMYL-L-AMINO-ACID-atom12" elementType="C" x2="1.2124" y2="-1.4002"/> <atom id="5-L-GLUTAMYL-L-AMINO-ACID-atom13" elementType="C" x2="4.8497" y2="-2.1001"/> <atom id="5-L-GLUTAMYL-L-AMINO-ACID-atom14" elementType="C" x2="8.487" y2="-1.4"/> <atom id="5-L-GLUTAMYL-L-AMINO-ACID-atom15" elementType="C" x2="2.4249" y2="-2.1001"/> </atomArray> <bondArray> <bond id="5-L-GLUTAMYL-L-AMINO-ACID-bond1" atomRefs="5-L-GLUTAMYL-L-AMINO-ACID-atom12 5-L-GLUTAMYL-L-AMINO-ACID-atom15" order="1"/> <bond id="5-L-GLUTAMYL-L-AMINO-ACID-bond2" atomRefs="5-L-GLUTAMYL-L-AMINO-ACID-atom11 5-L-GLUTAMYL-L-AMINO-ACID-atom14" order="1"/> <bond id="5-L-GLUTAMYL-L-AMINO-ACID-bond3" atomRefs="5-L-GLUTAMYL-L-AMINO-ACID-atom15 5-L-GLUTAMYL-L-AMINO-ACID-atom10" order="1"/> <bond id="5-L-GLUTAMYL-L-AMINO-ACID-bond4" atomRefs="5-L-GLUTAMYL-L-AMINO-ACID-atom10 5-L-GLUTAMYL-L-AMINO-ACID-atom13" order="1"/> <bond id="5-L-GLUTAMYL-L-AMINO-ACID-bond5" atomRefs="5-L-GLUTAMYL-L-AMINO-ACID-atom9 5-L-GLUTAMYL-L-AMINO-ACID-atom14" order="1"/> <bond id="5-L-GLUTAMYL-L-AMINO-ACID-bond6" atomRefs="5-L-GLUTAMYL-L-AMINO-ACID-atom8 5-L-GLUTAMYL-L-AMINO-ACID-atom13" order="1"/> <bond id="5-L-GLUTAMYL-L-AMINO-ACID-bond7" atomRefs="5-L-GLUTAMYL-L-AMINO-ACID-atom8 5-L-GLUTAMYL-L-AMINO-ACID-atom9" order="1"/> <bond id="5-L-GLUTAMYL-L-AMINO-ACID-bond8" atomRefs="5-L-GLUTAMYL-L-AMINO-ACID-atom7 5-L-GLUTAMYL-L-AMINO-ACID-atom15" order="1"/> <bond id="5-L-GLUTAMYL-L-AMINO-ACID-bond9" atomRefs="5-L-GLUTAMYL-L-AMINO-ACID-atom6 5-L-GLUTAMYL-L-AMINO-ACID-atom12" order="1"/> <bond id="5-L-GLUTAMYL-L-AMINO-ACID-bond10" atomRefs="5-L-GLUTAMYL-L-AMINO-ACID-atom5 5-L-GLUTAMYL-L-AMINO-ACID-atom11" order="1"/> <bond id="5-L-GLUTAMYL-L-AMINO-ACID-bond11" atomRefs="5-L-GLUTAMYL-L-AMINO-ACID-atom4 5-L-GLUTAMYL-L-AMINO-ACID-atom13" order="2"/> <bond id="5-L-GLUTAMYL-L-AMINO-ACID-bond12" atomRefs="5-L-GLUTAMYL-L-AMINO-ACID-atom3 5-L-GLUTAMYL-L-AMINO-ACID-atom12" order="2"/> <bond id="5-L-GLUTAMYL-L-AMINO-ACID-bond13" atomRefs="5-L-GLUTAMYL-L-AMINO-ACID-atom2 5-L-GLUTAMYL-L-AMINO-ACID-atom11" order="2"/> <bond id="5-L-GLUTAMYL-L-AMINO-ACID-bond14" atomRefs="5-L-GLUTAMYL-L-AMINO-ACID-atom14 5-L-GLUTAMYL-L-AMINO-ACID-atom1" order="1"/> </bondArray> <formula concise="C 7 H 11 N 2 O 5 R 1" formalCharge="0"/> </molecule> </cml>
<cml> <molecule id="L-2-AMINO-ACID" title="L-2-amino-acid" dictRef="dictL-2-AMINO-ACID"> <atomArray> <atom id="L-2-AMINO-ACID-atom1" elementType="N" x2="0.0" y2="-1.4"/> <atom id="L-2-AMINO-ACID-atom2" elementType="O" x2="3.6373" y2="-2.1"/> <atom id="L-2-AMINO-ACID-atom3" elementType="O" x2="2.4249" y2="0.0"/> <atom id="L-2-AMINO-ACID-atom4" elementType="R" x2="1.2124" y2="-3.5"/> <atom id="L-2-AMINO-ACID-atom5" elementType="C" x2="2.4248" y2="-1.4"/> <atom id="L-2-AMINO-ACID-atom6" elementType="C" x2="1.2124" y2="-2.1"/> </atomArray> <bondArray> <bond id="L-2-AMINO-ACID-bond1" atomRefs="L-2-AMINO-ACID-atom5 L-2-AMINO-ACID-atom6" order="1"/> <bond id="L-2-AMINO-ACID-bond2" atomRefs="L-2-AMINO-ACID-atom6 L-2-AMINO-ACID-atom4" order="1"/> <bond id="L-2-AMINO-ACID-bond3" atomRefs="L-2-AMINO-ACID-atom3 L-2-AMINO-ACID-atom5" order="1"/> <bond id="L-2-AMINO-ACID-bond4" atomRefs="L-2-AMINO-ACID-atom2 L-2-AMINO-ACID-atom5" order="2"/> <bond id="L-2-AMINO-ACID-bond5" atomRefs="L-2-AMINO-ACID-atom1 L-2-AMINO-ACID-atom6" order="1"/> </bondArray> <formula concise="C 2 H 4 N 1 O 2 R 1" formalCharge="0"/> </molecule> </cml>
<atom id="5-OXOPROLINE-atom1" elementType="N" x2="7.8041" y2="2.5446"/> <atom id="5-OXOPROLINE-atom2" elementType="C" x2="7.8048" y2="1.8269"/> <atom id="5-OXOPROLINE-atom3" elementType="C" x2="7.0121" y2="2.735"/> <atom id="5-OXOPROLINE-atom4" elementType="C" x2="7.1141" y2="1.5307"/> <atom id="5-OXOPROLINE-atom5" elementType="C" x2="6.6404" y2="2.0756"/> <atom id="5-OXOPROLINE-atom6" elementType="C" x2="8.4471" y2="1.4484"/> <atom id="5-OXOPROLINE-atom7" elementType="O" x2="8.4471" y2="0.6775"/> <atom id="5-OXOPROLINE-atom8" elementType="O" x2="9.0983" y2="1.8205"/> <atom id="5-OXOPROLINE-atom9" elementType="O" x2="6.7125" y2="3.4226"/> <bond id="5-OXOPROLINE-bond1" atomRefs="5-OXOPROLINE-atom3 5-OXOPROLINE-atom9" order="2"/> <bond id="5-OXOPROLINE-bond2" atomRefs="5-OXOPROLINE-atom6 5-OXOPROLINE-atom8" order="1"/> <bond id="5-OXOPROLINE-bond3" atomRefs="5-OXOPROLINE-atom2 5-OXOPROLINE-atom6" order="1"/> <bond id="5-OXOPROLINE-bond4" atomRefs="5-OXOPROLINE-atom6 5-OXOPROLINE-atom7" order="2"/> <bond id="5-OXOPROLINE-bond5" atomRefs="5-OXOPROLINE-atom4 5-OXOPROLINE-atom5" order="1"/> <bond id="5-OXOPROLINE-bond6" atomRefs="5-OXOPROLINE-atom3 5-OXOPROLINE-atom5" order="1"/> <bond id="5-OXOPROLINE-bond7" atomRefs="5-OXOPROLINE-atom2 5-OXOPROLINE-atom4" order="1"/> <bond id="5-OXOPROLINE-bond8" atomRefs="5-OXOPROLINE-atom1 5-OXOPROLINE-atom3" order="1"/> <bond id="5-OXOPROLINE-bond9" atomRefs="5-OXOPROLINE-atom2 5-OXOPROLINE-atom1" order="1"/> <formula concise="C 5 H 7 N 1 O 3" formalCharge="0"/> 129.115 C1(NC(C(O)=O)CC1)(=O)
1,2-diacylglycerol 3-beta-galactosyltransferase
undecaprenyl N-acetyl-glucosaminyl-N-acetyl-mannosaminuronate pyrophosphate
<atom id="C55-PP-GLCNAC-MANNACA-atom1" elementType="C" x2="70.6642" y2="-4.3772"/> <atom id="C55-PP-GLCNAC-MANNACA-atom2" elementType="C" x2="69.4327" y2="-2.2851"/> <atom id="C55-PP-GLCNAC-MANNACA-atom3" elementType="C" x2="4.1805" y2="0.0"/> <atom id="C55-PP-GLCNAC-MANNACA-atom4" elementType="C" x2="9.7145" y2="-0.0471"/> <atom id="C55-PP-GLCNAC-MANNACA-atom5" elementType="C" x2="64.5773" y2="-2.326"/> <atom id="C55-PP-GLCNAC-MANNACA-atom6" elementType="C" x2="59.7221" y2="-2.3671"/> <atom id="C55-PP-GLCNAC-MANNACA-atom7" elementType="C" x2="54.8969" y2="-2.4081"/> <atom id="C55-PP-GLCNAC-MANNACA-atom8" elementType="C" x2="50.0117" y2="-2.449"/> <atom id="C55-PP-GLCNAC-MANNACA-atom9" elementType="C" x2="45.1563" y2="-2.49"/> <atom id="C55-PP-GLCNAC-MANNACA-atom10" elementType="C" x2="40.3011" y2="-2.531"/> <atom id="C55-PP-GLCNAC-MANNACA-atom11" elementType="C" x2="35.4459" y2="-2.5721"/> <atom id="C55-PP-GLCNAC-MANNACA-atom12" elementType="C" x2="30.6184" y2="-2.6131"/> <atom id="C55-PP-GLCNAC-MANNACA-atom13" elementType="C" x2="25.7353" y2="-2.6541"/> <atom id="C55-PP-GLCNAC-MANNACA-atom14" elementType="C" x2="20.8801" y2="-2.6951"/> <atom id="C55-PP-GLCNAC-MANNACA-atom15" elementType="O" x2="2.1115" y2="-1.1838"/> <atom id="C55-PP-GLCNAC-MANNACA-atom16" elementType="O" x2="7.6383" y2="-1.2182"/> <atom id="C55-PP-GLCNAC-MANNACA-atom17" elementType="O" x2="2.0834" y2="-8.3349"/> <atom id="C55-PP-GLCNAC-MANNACA-atom18" elementType="O" x2="15.6841" y2="-6.1821"/> <atom id="C55-PP-GLCNAC-MANNACA-atom19" elementType="O" x2="12.5178" y2="-6.2303"/> <atom id="C55-PP-GLCNAC-MANNACA-atom20" elementType="O" x2="7.5664" y2="-8.369"/> <atom id="C55-PP-GLCNAC-MANNACA-atom21" elementType="O" x2="0.0" y2="-7.135"/> <atom id="C55-PP-GLCNAC-MANNACA-atom22" elementType="O" x2="1.4187" y2="-2.3729"/> <atom id="C55-PP-GLCNAC-MANNACA-atom23" elementType="O" x2="0.0331" y2="-4.7512"/> <atom id="C55-PP-GLCNAC-MANNACA-atom24" elementType="O" x2="6.9381" y2="-2.403"/> <atom id="C55-PP-GLCNAC-MANNACA-atom25" elementType="O" x2="15.6841" y2="-3.3778"/> <atom id="C55-PP-GLCNAC-MANNACA-atom26" elementType="O" x2="12.5178" y2="-3.4261"/> <atom id="C55-PP-GLCNAC-MANNACA-atom27" elementType="C" x2="68.2366" y2="-4.3976"/> <atom id="C55-PP-GLCNAC-MANNACA-atom28" elementType="C" x2="63.3813" y2="-4.4386"/> <atom id="C55-PP-GLCNAC-MANNACA-atom29" elementType="C" x2="58.526" y2="-4.4797"/> <atom id="C55-PP-GLCNAC-MANNACA-atom30" elementType="C" x2="53.6708" y2="-4.5207"/> <atom id="C55-PP-GLCNAC-MANNACA-atom31" elementType="C" x2="48.8155" y2="-4.5617"/> <atom id="C55-PP-GLCNAC-MANNACA-atom32" elementType="C" x2="43.9604" y2="-4.6027"/> <atom id="C55-PP-GLCNAC-MANNACA-atom33" elementType="C" x2="39.105" y2="-4.6437"/> <atom id="C55-PP-GLCNAC-MANNACA-atom34" elementType="C" x2="34.2497" y2="-4.6848"/> <atom id="C55-PP-GLCNAC-MANNACA-atom35" elementType="C" x2="29.3946" y2="-4.7257"/> <atom id="C55-PP-GLCNAC-MANNACA-atom36" elementType="C" x2="24.5392" y2="-4.7668"/> 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y2="-7.1703"/> <atom id="C55-PP-GLCNAC-MANNACA-atom49" elementType="C" x2="18.4643" y2="-4.1172"/> <atom id="C55-PP-GLCNAC-MANNACA-atom50" elementType="C" x2="65.8089" y2="-4.4182"/> <atom id="C55-PP-GLCNAC-MANNACA-atom51" elementType="C" x2="60.9538" y2="-4.4592"/> <atom id="C55-PP-GLCNAC-MANNACA-atom52" elementType="C" x2="56.0984" y2="-4.5002"/> <atom id="C55-PP-GLCNAC-MANNACA-atom53" elementType="C" x2="51.2431" y2="-4.5411"/> <atom id="C55-PP-GLCNAC-MANNACA-atom54" elementType="C" x2="46.388" y2="-4.5822"/> <atom id="C55-PP-GLCNAC-MANNACA-atom55" elementType="C" x2="41.5326" y2="-4.6231"/> <atom id="C55-PP-GLCNAC-MANNACA-atom56" elementType="C" x2="36.6774" y2="-4.6642"/> <atom id="C55-PP-GLCNAC-MANNACA-atom57" elementType="C" x2="31.8221" y2="-4.7052"/> <atom id="C55-PP-GLCNAC-MANNACA-atom58" elementType="C" x2="26.9669" y2="-4.7462"/> <atom id="C55-PP-GLCNAC-MANNACA-atom59" elementType="C" x2="22.1116" y2="-4.7873"/> <atom id="C55-PP-GLCNAC-MANNACA-atom60" elementType="N" 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id="C55-PP-GLCNAC-MANNACA-bond35" atomRefs="C55-PP-GLCNAC-MANNACA-atom49 C55-PP-GLCNAC-MANNACA-atom62" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-bond36" atomRefs="C55-PP-GLCNAC-MANNACA-atom85 C55-PP-GLCNAC-MANNACA-atom48" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-bond37" atomRefs="C55-PP-GLCNAC-MANNACA-atom47 C55-PP-GLCNAC-MANNACA-atom59" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-bond38" atomRefs="C55-PP-GLCNAC-MANNACA-atom46 C55-PP-GLCNAC-MANNACA-atom58" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-bond39" atomRefs="C55-PP-GLCNAC-MANNACA-atom45 C55-PP-GLCNAC-MANNACA-atom57" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-bond40" atomRefs="C55-PP-GLCNAC-MANNACA-atom44 C55-PP-GLCNAC-MANNACA-atom56" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-bond41" atomRefs="C55-PP-GLCNAC-MANNACA-atom43 C55-PP-GLCNAC-MANNACA-atom55" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-bond42" atomRefs="C55-PP-GLCNAC-MANNACA-atom42 C55-PP-GLCNAC-MANNACA-atom54" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-bond43" atomRefs="C55-PP-GLCNAC-MANNACA-atom41 C55-PP-GLCNAC-MANNACA-atom53" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-bond44" atomRefs="C55-PP-GLCNAC-MANNACA-atom40 C55-PP-GLCNAC-MANNACA-atom52" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-bond45" atomRefs="C55-PP-GLCNAC-MANNACA-atom39 C55-PP-GLCNAC-MANNACA-atom51" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-bond46" atomRefs="C55-PP-GLCNAC-MANNACA-atom38 C55-PP-GLCNAC-MANNACA-atom50" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-bond47" atomRefs="C55-PP-GLCNAC-MANNACA-atom37 C55-PP-GLCNAC-MANNACA-atom80" order="2"/> <bond id="C55-PP-GLCNAC-MANNACA-bond48" atomRefs="C55-PP-GLCNAC-MANNACA-atom37 C55-PP-GLCNAC-MANNACA-atom49" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-bond49" atomRefs="C55-PP-GLCNAC-MANNACA-atom36 C55-PP-GLCNAC-MANNACA-atom79" order="2"/> <bond id="C55-PP-GLCNAC-MANNACA-bond50" atomRefs="C55-PP-GLCNAC-MANNACA-atom36 C55-PP-GLCNAC-MANNACA-atom47" order="1"/> <bond 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id="C55-PP-GLCNAC-MANNACA-bond59" atomRefs="C55-PP-GLCNAC-MANNACA-atom31 C55-PP-GLCNAC-MANNACA-atom74" order="2"/> <bond id="C55-PP-GLCNAC-MANNACA-bond60" atomRefs="C55-PP-GLCNAC-MANNACA-atom31 C55-PP-GLCNAC-MANNACA-atom42" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-bond61" atomRefs="C55-PP-GLCNAC-MANNACA-atom30 C55-PP-GLCNAC-MANNACA-atom73" order="2"/> <bond id="C55-PP-GLCNAC-MANNACA-bond62" atomRefs="C55-PP-GLCNAC-MANNACA-atom30 C55-PP-GLCNAC-MANNACA-atom41" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-bond63" atomRefs="C55-PP-GLCNAC-MANNACA-atom29 C55-PP-GLCNAC-MANNACA-atom72" order="2"/> <bond id="C55-PP-GLCNAC-MANNACA-bond64" atomRefs="C55-PP-GLCNAC-MANNACA-atom29 C55-PP-GLCNAC-MANNACA-atom40" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-bond65" atomRefs="C55-PP-GLCNAC-MANNACA-atom28 C55-PP-GLCNAC-MANNACA-atom71" order="2"/> <bond id="C55-PP-GLCNAC-MANNACA-bond66" atomRefs="C55-PP-GLCNAC-MANNACA-atom28 C55-PP-GLCNAC-MANNACA-atom39" order="1"/> <bond 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id="C55-PP-GLCNAC-MANNACA-bond75" atomRefs="C55-PP-GLCNAC-MANNACA-atom20 C55-PP-GLCNAC-MANNACA-atom48" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-bond76" atomRefs="C55-PP-GLCNAC-MANNACA-atom19 C55-PP-GLCNAC-MANNACA-atom93" order="2"/> <bond id="C55-PP-GLCNAC-MANNACA-bond77" atomRefs="C55-PP-GLCNAC-MANNACA-atom18 C55-PP-GLCNAC-MANNACA-atom92" order="2"/> <bond id="C55-PP-GLCNAC-MANNACA-bond78" atomRefs="C55-PP-GLCNAC-MANNACA-atom17 C55-PP-GLCNAC-MANNACA-atom81" order="2"/> <bond id="C55-PP-GLCNAC-MANNACA-bond79" atomRefs="C55-PP-GLCNAC-MANNACA-atom16 C55-PP-GLCNAC-MANNACA-atom70" order="2"/> <bond id="C55-PP-GLCNAC-MANNACA-bond80" atomRefs="C55-PP-GLCNAC-MANNACA-atom15 C55-PP-GLCNAC-MANNACA-atom69" order="2"/> <bond id="C55-PP-GLCNAC-MANNACA-bond81" atomRefs="C55-PP-GLCNAC-MANNACA-atom14 C55-PP-GLCNAC-MANNACA-atom80" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-bond82" atomRefs="C55-PP-GLCNAC-MANNACA-atom13 C55-PP-GLCNAC-MANNACA-atom79" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-bond83" atomRefs="C55-PP-GLCNAC-MANNACA-atom12 C55-PP-GLCNAC-MANNACA-atom78" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-bond84" atomRefs="C55-PP-GLCNAC-MANNACA-atom11 C55-PP-GLCNAC-MANNACA-atom77" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-bond85" atomRefs="C55-PP-GLCNAC-MANNACA-atom10 C55-PP-GLCNAC-MANNACA-atom76" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-bond86" atomRefs="C55-PP-GLCNAC-MANNACA-atom9 C55-PP-GLCNAC-MANNACA-atom75" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-bond87" atomRefs="C55-PP-GLCNAC-MANNACA-atom8 C55-PP-GLCNAC-MANNACA-atom74" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-bond88" atomRefs="C55-PP-GLCNAC-MANNACA-atom7 C55-PP-GLCNAC-MANNACA-atom73" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-bond89" atomRefs="C55-PP-GLCNAC-MANNACA-atom6 C55-PP-GLCNAC-MANNACA-atom72" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-bond90" atomRefs="C55-PP-GLCNAC-MANNACA-atom5 C55-PP-GLCNAC-MANNACA-atom71" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-bond91" atomRefs="C55-PP-GLCNAC-MANNACA-atom4 C55-PP-GLCNAC-MANNACA-atom70" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-bond92" atomRefs="C55-PP-GLCNAC-MANNACA-atom3 C55-PP-GLCNAC-MANNACA-atom69" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-bond93" atomRefs="C55-PP-GLCNAC-MANNACA-atom2 C55-PP-GLCNAC-MANNACA-atom68" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-bond94" atomRefs="C55-PP-GLCNAC-MANNACA-atom1 C55-PP-GLCNAC-MANNACA-atom68" order="1"/> <formula concise="C 71 H 116 N 2 O 18 P 2" formalCharge="0"/> 1347.647 CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)(O)OP(=O)(O)OC1(C(NC(=O)C)C(O)C(C(O1)CO)OC2(C(NC(=O)C)C(O)C(O)C(O2)C(O)=O))
undecaprenyl N-acetyl-glucosaminyl-N-acetyl-mannosaminuronate-4-acetamido-4,6-dideoxy-D-galactose pyrophosphate
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id="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom12" elementType="C" x2="43.1097" y2="-2.5721"/> <atom id="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom13" elementType="C" x2="38.2821" y2="-2.6131"/> <atom id="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom14" elementType="C" x2="33.399" y2="-2.6541"/> <atom id="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom15" elementType="C" x2="28.5438" y2="-2.6951"/> <atom id="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom16" elementType="C" x2="3.5032" y2="-7.1871"/> <atom id="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom17" elementType="O" x2="0.0" y2="-5.9839"/> <atom id="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom18" elementType="O" x2="9.7752" y2="-1.1838"/> <atom id="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom19" elementType="O" x2="15.302" y2="-1.2182"/> <atom id="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom20" elementType="O" x2="9.7471" y2="-8.3349"/> <atom id="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom21" elementType="O" x2="23.3478" y2="-6.1821"/> <atom id="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom22" elementType="O" x2="20.1815" y2="-6.2303"/> <atom id="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom23" elementType="O" x2="15.2301" y2="-8.369"/> <atom id="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom24" elementType="O" x2="7.6637" y2="-7.135"/> <atom id="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom25" elementType="O" x2="6.2904" y2="-2.33"/> <atom id="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom26" elementType="O" x2="3.4904" y2="-2.3374"/> <atom id="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom27" elementType="O" x2="14.6018" y2="-2.403"/> <atom id="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom28" elementType="O" x2="9.0824" y2="-2.3729"/> <atom id="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom29" elementType="O" x2="23.3478" y2="-3.3778"/> <atom id="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom30" elementType="O" x2="20.1815" y2="-3.4261"/> <atom id="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom31" elementType="C" x2="75.9005" y2="-4.3976"/> <atom id="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom32" elementType="C" x2="71.0452" y2="-4.4386"/> <atom id="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom33" elementType="C" x2="66.1898" y2="-4.4797"/> <atom id="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom34" elementType="C" x2="61.3346" y2="-4.5207"/> <atom id="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom35" elementType="C" x2="56.4793" y2="-4.5617"/> <atom id="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom36" elementType="C" x2="51.6242" y2="-4.6027"/> <atom id="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom37" elementType="C" x2="46.7688" y2="-4.6437"/> <atom id="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom38" elementType="C" x2="41.9135" y2="-4.6848"/> <atom id="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom39" elementType="C" x2="37.0583" y2="-4.7257"/> <atom id="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom40" elementType="C" x2="32.2029" y2="-4.7668"/> <atom id="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom41" elementType="C" x2="27.3476" y2="-4.8076"/> <atom id="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom42" elementType="C" x2="74.6807" y2="-3.7071"/> <atom id="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom43" elementType="C" x2="69.8254" y2="-3.7481"/> <atom id="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom44" elementType="C" x2="64.9702" y2="-3.7891"/> <atom id="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom45" elementType="C" x2="60.1149" y2="-3.8301"/> <atom id="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom46" elementType="C" x2="55.2595" y2="-3.8711"/> <atom id="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom47" elementType="C" x2="50.4044" y2="-3.9121"/> <atom id="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom48" elementType="C" x2="45.5491" y2="-3.9532"/> <atom id="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom49" elementType="C" x2="40.6937" y2="-3.9942"/> <atom id="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom50" elementType="C" x2="35.8385" y2="-4.0352"/> <atom id="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom51" elementType="C" x2="30.9832" y2="-4.0762"/> <atom id="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom52" elementType="C" x2="14.554" y2="-7.1703"/> <atom id="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom53" elementType="C" x2="26.128" y2="-4.1172"/> <atom id="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom54" elementType="C" x2="73.4728" y2="-4.4182"/> <atom id="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom55" 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y2="-4.8143"/> <atom id="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom99" elementType="C" x2="3.4968" y2="-4.7623"/> <atom id="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom100" elementType="C" x2="11.142" y2="-3.5729"/> <atom id="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom101" elementType="C" x2="16.6542" y2="-3.6156"/> <atom id="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom102" elementType="C" x2="9.7564" y2="-5.9512"/> <atom id="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom103" elementType="C" x2="14.5779" y2="-4.7867"/> <atom id="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom104" elementType="C" x2="9.073" y2="-4.7566"/> <atom id="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom105" elementType="P" x2="23.3478" y2="-4.8282"/> <atom id="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom106" elementType="P" x2="20.1815" y2="-4.8282"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond1" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom102 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom104" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond2" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom98 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom101" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond3" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom97 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom100" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond4" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom95 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom103" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond5" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom94 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom104" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond6" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom94 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom100" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond7" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom93 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom103" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond8" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom93 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom101" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond9" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom92 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom99" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond10" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom91 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom96" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond11" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom91 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom92" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond12" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom90 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom99" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond13" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom102 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom89" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond14" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom74 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom106" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond15" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom74 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom105" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond16" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom73 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom106" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond17" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom98 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom73" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond18" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom104 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom72" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond19" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom96 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom72" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond20" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom103 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom71" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond21" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom97 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom71" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond22" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom70 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom102" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond23" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom70 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom97" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond24" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom69 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom98" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond25" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom69 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom95" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond26" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom68 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom96" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond27" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom68 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom90" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond28" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom67 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom105" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond29" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom101 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom66" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond30" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom66 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom78" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond31" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom100 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom65" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond32" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom65 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom77" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond33" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom99 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom64" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond34" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom64 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom76" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond35" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom63 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom88" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond36" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom62 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom87" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond37" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom61 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom86" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond38" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom60 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom85" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond39" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom59 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom84" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond40" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom58 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom83" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond41" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom57 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom82" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond42" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom56 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom81" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond43" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom55 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom80" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond44" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom54 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom79" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond45" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom53 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom67" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond46" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom95 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom52" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond47" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom51 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom63" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond48" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom50 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom62" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond49" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom49 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom61" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond50" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom48 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom60" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond51" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom47 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom59" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond52" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom46 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom58" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond53" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom45 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom57" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond54" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom44 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom56" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond55" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom43 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom55" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond56" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom42 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom54" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond57" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom41 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom88" order="2"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond58" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom41 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom53" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond59" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom40 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom87" order="2"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond60" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom40 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom51" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond61" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom39 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom86" order="2"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond62" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom39 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom50" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond63" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom38 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom85" order="2"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond64" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom38 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom49" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond65" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom37 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom84" order="2"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond66" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom37 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom48" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond67" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom36 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom83" order="2"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond68" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom36 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom47" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond69" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom35 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom82" order="2"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond70" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom35 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom46" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond71" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom34 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom81" order="2"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond72" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom34 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom45" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond73" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom33 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom80" order="2"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond74" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom33 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom44" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond75" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom32 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom79" order="2"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond76" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom32 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom43" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond77" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom31 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom75" order="2"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond78" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom31 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom42" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond79" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom30 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom106" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond80" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom29 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom105" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond81" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom94 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom28" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond82" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom93 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom27" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond83" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom92 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom26" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond84" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom91 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom25" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond85" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom24 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom89" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond86" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom23 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom52" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond87" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom22 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom106" order="2"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond88" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom21 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom105" order="2"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond89" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom20 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom89" order="2"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond90" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom19 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom78" order="2"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond91" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom18 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom77" order="2"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond92" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom17 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom76" order="2"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond93" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom90 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom16" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond94" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom15 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom88" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond95" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom14 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom87" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond96" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom13 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom86" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond97" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom12 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom85" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond98" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom11 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom84" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond99" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom10 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom83" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond100" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom9 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom82" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond101" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom8 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom81" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond102" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom7 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom80" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond103" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom6 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom79" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond104" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom5 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom78" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond105" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom4 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom77" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond106" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom3 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom76" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond107" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom2 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom75" order="1"/> <bond id="C55-PP-GLCNAC-MANNACA-FUC4NAC-bond108" atomRefs="C55-PP-GLCNAC-MANNACA-FUC4NAC-atom1 C55-PP-GLCNAC-MANNACA-FUC4NAC-atom75" order="1"/> <formula concise="C 79 H 129 N 3 O 22 P 2" formalCharge="0"/> 1534.842 CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)(O)OP(=O)(O)OC1(C(NC(=O)C)C(O)C(C(O1)CO)OC2(C(NC(=O)C)C(O)C(C(O2)C(O)=O)OC3(C(O)C(O)C(C(O3)C)NC(=O)C)))
Undecaprenyl-diphospho N-acetylglucosamine-N-acetylmannosaminuronate-N-acetamido-4,6-dideoxy-D-galactose
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id="UNDECAPRENYL-P-atom53" elementType="C" x2="20.5487" y2="-1.7879"/> <atom id="UNDECAPRENYL-P-atom54" elementType="C" x2="25.3869" y2="-1.6961"/> <atom id="UNDECAPRENYL-P-atom55" elementType="C" x2="30.225" y2="-1.604"/> <atom id="UNDECAPRENYL-P-atom56" elementType="C" x2="35.0631" y2="-1.512"/> <atom id="UNDECAPRENYL-P-atom57" elementType="C" x2="39.9012" y2="-1.4201"/> <atom id="UNDECAPRENYL-P-atom58" elementType="C" x2="44.7969" y2="-1.4"/> <atom id="UNDECAPRENYL-P-atom59" elementType="C" x2="49.6286" y2="-1.4"/> <atom id="UNDECAPRENYL-P-atom60" elementType="P" x2="54.5924" y2="-2.0954"/> <bond id="UNDECAPRENYL-P-bond1" atomRefs="UNDECAPRENYL-P-atom48 UNDECAPRENYL-P-atom60" order="1"/> <bond id="UNDECAPRENYL-P-bond2" atomRefs="UNDECAPRENYL-P-atom47 UNDECAPRENYL-P-atom59" order="1"/> <bond id="UNDECAPRENYL-P-bond3" atomRefs="UNDECAPRENYL-P-atom46 UNDECAPRENYL-P-atom58" order="1"/> <bond id="UNDECAPRENYL-P-bond4" atomRefs="UNDECAPRENYL-P-atom45 UNDECAPRENYL-P-atom57" order="1"/> 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id="UNDECAPRENYL-P-bond15" atomRefs="UNDECAPRENYL-P-atom34 UNDECAPRENYL-P-atom45" order="1"/> <bond id="UNDECAPRENYL-P-bond16" atomRefs="UNDECAPRENYL-P-atom33 UNDECAPRENYL-P-atom44" order="1"/> <bond id="UNDECAPRENYL-P-bond17" atomRefs="UNDECAPRENYL-P-atom32 UNDECAPRENYL-P-atom43" order="1"/> <bond id="UNDECAPRENYL-P-bond18" atomRefs="UNDECAPRENYL-P-atom31 UNDECAPRENYL-P-atom42" order="1"/> <bond id="UNDECAPRENYL-P-bond19" atomRefs="UNDECAPRENYL-P-atom30 UNDECAPRENYL-P-atom41" order="1"/> <bond id="UNDECAPRENYL-P-bond20" atomRefs="UNDECAPRENYL-P-atom29 UNDECAPRENYL-P-atom40" order="1"/> <bond id="UNDECAPRENYL-P-bond21" atomRefs="UNDECAPRENYL-P-atom28 UNDECAPRENYL-P-atom39" order="1"/> <bond id="UNDECAPRENYL-P-bond22" atomRefs="UNDECAPRENYL-P-atom27 UNDECAPRENYL-P-atom38" order="1"/> <bond id="UNDECAPRENYL-P-bond23" atomRefs="UNDECAPRENYL-P-atom26 UNDECAPRENYL-P-atom59" order="2"/> <bond id="UNDECAPRENYL-P-bond24" atomRefs="UNDECAPRENYL-P-atom26 UNDECAPRENYL-P-atom37" order="1"/> <bond id="UNDECAPRENYL-P-bond25" atomRefs="UNDECAPRENYL-P-atom25 UNDECAPRENYL-P-atom58" order="2"/> <bond id="UNDECAPRENYL-P-bond26" atomRefs="UNDECAPRENYL-P-atom25 UNDECAPRENYL-P-atom36" order="1"/> <bond id="UNDECAPRENYL-P-bond27" atomRefs="UNDECAPRENYL-P-atom24 UNDECAPRENYL-P-atom57" order="2"/> <bond id="UNDECAPRENYL-P-bond28" atomRefs="UNDECAPRENYL-P-atom24 UNDECAPRENYL-P-atom35" order="1"/> <bond id="UNDECAPRENYL-P-bond29" atomRefs="UNDECAPRENYL-P-atom23 UNDECAPRENYL-P-atom56" order="2"/> <bond id="UNDECAPRENYL-P-bond30" atomRefs="UNDECAPRENYL-P-atom23 UNDECAPRENYL-P-atom34" order="1"/> <bond id="UNDECAPRENYL-P-bond31" atomRefs="UNDECAPRENYL-P-atom22 UNDECAPRENYL-P-atom55" order="2"/> <bond id="UNDECAPRENYL-P-bond32" atomRefs="UNDECAPRENYL-P-atom22 UNDECAPRENYL-P-atom33" order="1"/> <bond id="UNDECAPRENYL-P-bond33" atomRefs="UNDECAPRENYL-P-atom21 UNDECAPRENYL-P-atom54" order="2"/> <bond id="UNDECAPRENYL-P-bond34" atomRefs="UNDECAPRENYL-P-atom21 UNDECAPRENYL-P-atom32" order="1"/> <bond id="UNDECAPRENYL-P-bond35" atomRefs="UNDECAPRENYL-P-atom20 UNDECAPRENYL-P-atom53" order="2"/> <bond id="UNDECAPRENYL-P-bond36" atomRefs="UNDECAPRENYL-P-atom20 UNDECAPRENYL-P-atom31" order="1"/> <bond id="UNDECAPRENYL-P-bond37" atomRefs="UNDECAPRENYL-P-atom19 UNDECAPRENYL-P-atom52" order="2"/> <bond id="UNDECAPRENYL-P-bond38" atomRefs="UNDECAPRENYL-P-atom19 UNDECAPRENYL-P-atom30" order="1"/> <bond id="UNDECAPRENYL-P-bond39" atomRefs="UNDECAPRENYL-P-atom18 UNDECAPRENYL-P-atom51" order="2"/> <bond id="UNDECAPRENYL-P-bond40" atomRefs="UNDECAPRENYL-P-atom18 UNDECAPRENYL-P-atom29" order="1"/> <bond id="UNDECAPRENYL-P-bond41" atomRefs="UNDECAPRENYL-P-atom17 UNDECAPRENYL-P-atom50" order="2"/> <bond id="UNDECAPRENYL-P-bond42" atomRefs="UNDECAPRENYL-P-atom17 UNDECAPRENYL-P-atom28" order="1"/> <bond id="UNDECAPRENYL-P-bond43" atomRefs="UNDECAPRENYL-P-atom16 UNDECAPRENYL-P-atom49" order="2"/> <bond id="UNDECAPRENYL-P-bond44" atomRefs="UNDECAPRENYL-P-atom16 UNDECAPRENYL-P-atom27" order="1"/> <bond id="UNDECAPRENYL-P-bond45" atomRefs="UNDECAPRENYL-P-atom15 UNDECAPRENYL-P-atom60" order="1"/> <bond id="UNDECAPRENYL-P-bond46" atomRefs="UNDECAPRENYL-P-atom14 UNDECAPRENYL-P-atom60" order="1"/> <bond id="UNDECAPRENYL-P-bond47" atomRefs="UNDECAPRENYL-P-atom13 UNDECAPRENYL-P-atom60" order="2"/> <bond id="UNDECAPRENYL-P-bond48" atomRefs="UNDECAPRENYL-P-atom12 UNDECAPRENYL-P-atom59" order="1"/> <bond id="UNDECAPRENYL-P-bond49" atomRefs="UNDECAPRENYL-P-atom11 UNDECAPRENYL-P-atom58" order="1"/> <bond id="UNDECAPRENYL-P-bond50" atomRefs="UNDECAPRENYL-P-atom10 UNDECAPRENYL-P-atom57" order="1"/> <bond id="UNDECAPRENYL-P-bond51" atomRefs="UNDECAPRENYL-P-atom9 UNDECAPRENYL-P-atom56" order="1"/> <bond id="UNDECAPRENYL-P-bond52" atomRefs="UNDECAPRENYL-P-atom8 UNDECAPRENYL-P-atom55" order="1"/> <bond id="UNDECAPRENYL-P-bond53" atomRefs="UNDECAPRENYL-P-atom7 UNDECAPRENYL-P-atom54" order="1"/> <bond id="UNDECAPRENYL-P-bond54" atomRefs="UNDECAPRENYL-P-atom6 UNDECAPRENYL-P-atom53" order="1"/> <bond id="UNDECAPRENYL-P-bond55" atomRefs="UNDECAPRENYL-P-atom5 UNDECAPRENYL-P-atom52" order="1"/> <bond id="UNDECAPRENYL-P-bond56" atomRefs="UNDECAPRENYL-P-atom4 UNDECAPRENYL-P-atom51" order="1"/> <bond id="UNDECAPRENYL-P-bond57" atomRefs="UNDECAPRENYL-P-atom3 UNDECAPRENYL-P-atom50" order="1"/> <bond id="UNDECAPRENYL-P-bond58" atomRefs="UNDECAPRENYL-P-atom2 UNDECAPRENYL-P-atom49" order="1"/> <bond id="UNDECAPRENYL-P-bond59" atomRefs="UNDECAPRENYL-P-atom1 UNDECAPRENYL-P-atom49" order="1"/> <formula concise="C 55 H 91 O 4 P 1" formalCharge="0"/> 847.295 CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(O)(O)=O
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atomRefs="GLCNAC-PP-LIPID-atom64 GLCNAC-PP-LIPID-atom82" order="1"/> <bond id="GLCNAC-PP-LIPID-bond7" atomRefs="GLCNAC-PP-LIPID-atom63 GLCNAC-PP-LIPID-atom83" order="1"/> <bond id="GLCNAC-PP-LIPID-bond8" atomRefs="GLCNAC-PP-LIPID-atom63 GLCNAC-PP-LIPID-atom80" order="1"/> <bond id="GLCNAC-PP-LIPID-bond9" atomRefs="GLCNAC-PP-LIPID-atom62 GLCNAC-PP-LIPID-atom80" order="1"/> <bond id="GLCNAC-PP-LIPID-bond10" atomRefs="GLCNAC-PP-LIPID-atom62 GLCNAC-PP-LIPID-atom79" order="1"/> <bond id="GLCNAC-PP-LIPID-bond11" atomRefs="GLCNAC-PP-LIPID-atom61 GLCNAC-PP-LIPID-atom82" order="1"/> <bond id="GLCNAC-PP-LIPID-bond12" atomRefs="GLCNAC-PP-LIPID-atom60 GLCNAC-PP-LIPID-atom81" order="1"/> <bond id="GLCNAC-PP-LIPID-bond13" atomRefs="GLCNAC-PP-LIPID-atom60 GLCNAC-PP-LIPID-atom66" order="1"/> <bond id="GLCNAC-PP-LIPID-bond14" atomRefs="GLCNAC-PP-LIPID-atom59 GLCNAC-PP-LIPID-atom76" order="1"/> <bond id="GLCNAC-PP-LIPID-bond15" atomRefs="GLCNAC-PP-LIPID-atom58 GLCNAC-PP-LIPID-atom75" order="1"/> <bond id="GLCNAC-PP-LIPID-bond16" atomRefs="GLCNAC-PP-LIPID-atom57 GLCNAC-PP-LIPID-atom74" order="1"/> <bond id="GLCNAC-PP-LIPID-bond17" atomRefs="GLCNAC-PP-LIPID-atom56 GLCNAC-PP-LIPID-atom73" order="1"/> <bond id="GLCNAC-PP-LIPID-bond18" atomRefs="GLCNAC-PP-LIPID-atom55 GLCNAC-PP-LIPID-atom72" order="1"/> <bond id="GLCNAC-PP-LIPID-bond19" atomRefs="GLCNAC-PP-LIPID-atom54 GLCNAC-PP-LIPID-atom71" order="1"/> <bond id="GLCNAC-PP-LIPID-bond20" atomRefs="GLCNAC-PP-LIPID-atom53 GLCNAC-PP-LIPID-atom70" order="1"/> <bond id="GLCNAC-PP-LIPID-bond21" atomRefs="GLCNAC-PP-LIPID-atom52 GLCNAC-PP-LIPID-atom69" order="1"/> <bond id="GLCNAC-PP-LIPID-bond22" atomRefs="GLCNAC-PP-LIPID-atom51 GLCNAC-PP-LIPID-atom68" order="1"/> <bond id="GLCNAC-PP-LIPID-bond23" atomRefs="GLCNAC-PP-LIPID-atom50 GLCNAC-PP-LIPID-atom67" order="1"/> <bond id="GLCNAC-PP-LIPID-bond24" atomRefs="GLCNAC-PP-LIPID-atom49 GLCNAC-PP-LIPID-atom61" order="1"/> <bond id="GLCNAC-PP-LIPID-bond25" atomRefs="GLCNAC-PP-LIPID-atom48 GLCNAC-PP-LIPID-atom79" order="1"/> <bond id="GLCNAC-PP-LIPID-bond26" atomRefs="GLCNAC-PP-LIPID-atom47 GLCNAC-PP-LIPID-atom59" order="1"/> <bond id="GLCNAC-PP-LIPID-bond27" atomRefs="GLCNAC-PP-LIPID-atom46 GLCNAC-PP-LIPID-atom58" order="1"/> <bond id="GLCNAC-PP-LIPID-bond28" atomRefs="GLCNAC-PP-LIPID-atom45 GLCNAC-PP-LIPID-atom57" order="1"/> <bond id="GLCNAC-PP-LIPID-bond29" atomRefs="GLCNAC-PP-LIPID-atom44 GLCNAC-PP-LIPID-atom56" order="1"/> <bond id="GLCNAC-PP-LIPID-bond30" atomRefs="GLCNAC-PP-LIPID-atom43 GLCNAC-PP-LIPID-atom55" order="1"/> <bond id="GLCNAC-PP-LIPID-bond31" atomRefs="GLCNAC-PP-LIPID-atom42 GLCNAC-PP-LIPID-atom54" order="1"/> <bond id="GLCNAC-PP-LIPID-bond32" atomRefs="GLCNAC-PP-LIPID-atom41 GLCNAC-PP-LIPID-atom53" order="1"/> <bond id="GLCNAC-PP-LIPID-bond33" atomRefs="GLCNAC-PP-LIPID-atom40 GLCNAC-PP-LIPID-atom52" order="1"/> <bond id="GLCNAC-PP-LIPID-bond34" atomRefs="GLCNAC-PP-LIPID-atom39 GLCNAC-PP-LIPID-atom51" order="1"/> <bond id="GLCNAC-PP-LIPID-bond35" atomRefs="GLCNAC-PP-LIPID-atom38 GLCNAC-PP-LIPID-atom50" order="1"/> <bond id="GLCNAC-PP-LIPID-bond36" atomRefs="GLCNAC-PP-LIPID-atom37 GLCNAC-PP-LIPID-atom76" order="2"/> <bond id="GLCNAC-PP-LIPID-bond37" atomRefs="GLCNAC-PP-LIPID-atom37 GLCNAC-PP-LIPID-atom49" order="1"/> <bond id="GLCNAC-PP-LIPID-bond38" atomRefs="GLCNAC-PP-LIPID-atom36 GLCNAC-PP-LIPID-atom75" order="2"/> <bond id="GLCNAC-PP-LIPID-bond39" atomRefs="GLCNAC-PP-LIPID-atom36 GLCNAC-PP-LIPID-atom47" order="1"/> <bond id="GLCNAC-PP-LIPID-bond40" atomRefs="GLCNAC-PP-LIPID-atom35 GLCNAC-PP-LIPID-atom74" order="2"/> <bond id="GLCNAC-PP-LIPID-bond41" atomRefs="GLCNAC-PP-LIPID-atom35 GLCNAC-PP-LIPID-atom46" order="1"/> <bond id="GLCNAC-PP-LIPID-bond42" atomRefs="GLCNAC-PP-LIPID-atom34 GLCNAC-PP-LIPID-atom73" order="2"/> <bond id="GLCNAC-PP-LIPID-bond43" atomRefs="GLCNAC-PP-LIPID-atom34 GLCNAC-PP-LIPID-atom45" order="1"/> <bond id="GLCNAC-PP-LIPID-bond44" atomRefs="GLCNAC-PP-LIPID-atom33 GLCNAC-PP-LIPID-atom72" order="2"/> <bond id="GLCNAC-PP-LIPID-bond45" atomRefs="GLCNAC-PP-LIPID-atom33 GLCNAC-PP-LIPID-atom44" order="1"/> <bond id="GLCNAC-PP-LIPID-bond46" atomRefs="GLCNAC-PP-LIPID-atom32 GLCNAC-PP-LIPID-atom71" order="2"/> <bond id="GLCNAC-PP-LIPID-bond47" atomRefs="GLCNAC-PP-LIPID-atom32 GLCNAC-PP-LIPID-atom43" order="1"/> <bond id="GLCNAC-PP-LIPID-bond48" atomRefs="GLCNAC-PP-LIPID-atom31 GLCNAC-PP-LIPID-atom70" order="2"/> <bond id="GLCNAC-PP-LIPID-bond49" atomRefs="GLCNAC-PP-LIPID-atom31 GLCNAC-PP-LIPID-atom42" order="1"/> <bond id="GLCNAC-PP-LIPID-bond50" atomRefs="GLCNAC-PP-LIPID-atom30 GLCNAC-PP-LIPID-atom69" order="2"/> <bond id="GLCNAC-PP-LIPID-bond51" atomRefs="GLCNAC-PP-LIPID-atom30 GLCNAC-PP-LIPID-atom41" order="1"/> <bond id="GLCNAC-PP-LIPID-bond52" atomRefs="GLCNAC-PP-LIPID-atom29 GLCNAC-PP-LIPID-atom68" order="2"/> <bond id="GLCNAC-PP-LIPID-bond53" atomRefs="GLCNAC-PP-LIPID-atom29 GLCNAC-PP-LIPID-atom40" order="1"/> <bond id="GLCNAC-PP-LIPID-bond54" atomRefs="GLCNAC-PP-LIPID-atom28 GLCNAC-PP-LIPID-atom67" order="2"/> <bond id="GLCNAC-PP-LIPID-bond55" atomRefs="GLCNAC-PP-LIPID-atom28 GLCNAC-PP-LIPID-atom39" order="1"/> <bond id="GLCNAC-PP-LIPID-bond56" atomRefs="GLCNAC-PP-LIPID-atom27 GLCNAC-PP-LIPID-atom65" order="2"/> <bond id="GLCNAC-PP-LIPID-bond57" atomRefs="GLCNAC-PP-LIPID-atom27 GLCNAC-PP-LIPID-atom38" order="1"/> <bond id="GLCNAC-PP-LIPID-bond58" atomRefs="GLCNAC-PP-LIPID-atom26 GLCNAC-PP-LIPID-atom83" order="1"/> <bond id="GLCNAC-PP-LIPID-bond59" atomRefs="GLCNAC-PP-LIPID-atom25 GLCNAC-PP-LIPID-atom82" order="1"/> <bond id="GLCNAC-PP-LIPID-bond60" atomRefs="GLCNAC-PP-LIPID-atom24 GLCNAC-PP-LIPID-atom78" order="1"/> <bond id="GLCNAC-PP-LIPID-bond61" atomRefs="GLCNAC-PP-LIPID-atom23 GLCNAC-PP-LIPID-atom77" order="1"/> <bond id="GLCNAC-PP-LIPID-bond62" atomRefs="GLCNAC-PP-LIPID-atom22 GLCNAC-PP-LIPID-atom48" order="1"/> <bond id="GLCNAC-PP-LIPID-bond63" atomRefs="GLCNAC-PP-LIPID-atom21 GLCNAC-PP-LIPID-atom83" order="2"/> <bond id="GLCNAC-PP-LIPID-bond64" atomRefs="GLCNAC-PP-LIPID-atom20 GLCNAC-PP-LIPID-atom82" order="2"/> <bond id="GLCNAC-PP-LIPID-bond65" atomRefs="GLCNAC-PP-LIPID-atom19 GLCNAC-PP-LIPID-atom66" order="2"/> <bond id="GLCNAC-PP-LIPID-bond66" atomRefs="GLCNAC-PP-LIPID-atom18 GLCNAC-PP-LIPID-atom76" order="1"/> <bond id="GLCNAC-PP-LIPID-bond67" atomRefs="GLCNAC-PP-LIPID-atom17 GLCNAC-PP-LIPID-atom75" order="1"/> <bond id="GLCNAC-PP-LIPID-bond68" atomRefs="GLCNAC-PP-LIPID-atom16 GLCNAC-PP-LIPID-atom74" order="1"/> <bond id="GLCNAC-PP-LIPID-bond69" atomRefs="GLCNAC-PP-LIPID-atom15 GLCNAC-PP-LIPID-atom73" order="1"/> <bond id="GLCNAC-PP-LIPID-bond70" atomRefs="GLCNAC-PP-LIPID-atom14 GLCNAC-PP-LIPID-atom72" order="1"/> <bond id="GLCNAC-PP-LIPID-bond71" atomRefs="GLCNAC-PP-LIPID-atom13 GLCNAC-PP-LIPID-atom71" order="1"/> <bond id="GLCNAC-PP-LIPID-bond72" atomRefs="GLCNAC-PP-LIPID-atom12 GLCNAC-PP-LIPID-atom70" order="1"/> <bond id="GLCNAC-PP-LIPID-bond73" atomRefs="GLCNAC-PP-LIPID-atom11 GLCNAC-PP-LIPID-atom69" order="1"/> <bond id="GLCNAC-PP-LIPID-bond74" atomRefs="GLCNAC-PP-LIPID-atom10 GLCNAC-PP-LIPID-atom68" order="1"/> <bond id="GLCNAC-PP-LIPID-bond75" atomRefs="GLCNAC-PP-LIPID-atom9 GLCNAC-PP-LIPID-atom67" order="1"/> <bond id="GLCNAC-PP-LIPID-bond76" atomRefs="GLCNAC-PP-LIPID-atom8 GLCNAC-PP-LIPID-atom66" order="1"/> <bond id="GLCNAC-PP-LIPID-bond77" atomRefs="GLCNAC-PP-LIPID-atom7 GLCNAC-PP-LIPID-atom65" order="1"/> <bond id="GLCNAC-PP-LIPID-bond78" atomRefs="GLCNAC-PP-LIPID-atom6 GLCNAC-PP-LIPID-atom65" order="1"/> <bond id="GLCNAC-PP-LIPID-bond79" atomRefs="GLCNAC-PP-LIPID-atom5 GLCNAC-PP-LIPID-atom81" order="1"/> <bond id="GLCNAC-PP-LIPID-bond80" atomRefs="GLCNAC-PP-LIPID-atom4 GLCNAC-PP-LIPID-atom80" order="1"/> <bond id="GLCNAC-PP-LIPID-bond81" atomRefs="GLCNAC-PP-LIPID-atom3 GLCNAC-PP-LIPID-atom79" order="1"/> <bond id="GLCNAC-PP-LIPID-bond82" atomRefs="GLCNAC-PP-LIPID-atom2 GLCNAC-PP-LIPID-atom78" order="1"/> <bond id="GLCNAC-PP-LIPID-bond83" atomRefs="GLCNAC-PP-LIPID-atom1 GLCNAC-PP-LIPID-atom77" order="1"/> <formula concise="C 63 H 105 N 1 O 12 P 2" formalCharge="0"/> 1130.469 CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)(O)OP(=O)(O)O[CH]1([CH](NC(=O)C)[CH](O)[CH](O)[CH](O1)CO)
Undecaprenyl diphospho N-acetyl-glucosamine
Glycogen is a glucose polymer resembling the starch in plants (so it is sometimes called "animal starch"). Glycogen is a highly branched glucose polymer. It is formed of small chains of 8 to 12 glucose molecules linked together with α (1->4) bonds (also called maltodextrin). These small chains are in turn linked together with α (1->6) bonds. A single molecule of glycogen can be made of up to 120,000 molecules of glucose. It is stored in the form of granules in the cytosol.
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id="PELARGONIDIN-3-GLUCOSIDE-CMPD-atom31" elementType="C" x2="0.65508366" y2="-0.006434977"/> <bond id="PELARGONIDIN-3-GLUCOSIDE-CMPD-bond1" atomRefs="PELARGONIDIN-3-GLUCOSIDE-CMPD-atom31 PELARGONIDIN-3-GLUCOSIDE-CMPD-atom23" order="1"/> <bond id="PELARGONIDIN-3-GLUCOSIDE-CMPD-bond2" atomRefs="PELARGONIDIN-3-GLUCOSIDE-CMPD-atom30 PELARGONIDIN-3-GLUCOSIDE-CMPD-atom18" order="2"/> <bond id="PELARGONIDIN-3-GLUCOSIDE-CMPD-bond3" atomRefs="PELARGONIDIN-3-GLUCOSIDE-CMPD-atom29 PELARGONIDIN-3-GLUCOSIDE-CMPD-atom7" order="1"/> <bond id="PELARGONIDIN-3-GLUCOSIDE-CMPD-bond4" atomRefs="PELARGONIDIN-3-GLUCOSIDE-CMPD-atom27 PELARGONIDIN-3-GLUCOSIDE-CMPD-atom14" order="A"/> <bond id="PELARGONIDIN-3-GLUCOSIDE-CMPD-bond5" atomRefs="PELARGONIDIN-3-GLUCOSIDE-CMPD-atom25 PELARGONIDIN-3-GLUCOSIDE-CMPD-atom19" order="A"/> <bond id="PELARGONIDIN-3-GLUCOSIDE-CMPD-bond6" atomRefs="PELARGONIDIN-3-GLUCOSIDE-CMPD-atom24 PELARGONIDIN-3-GLUCOSIDE-CMPD-atom27" order="A"/> <bond id="PELARGONIDIN-3-GLUCOSIDE-CMPD-bond7" atomRefs="PELARGONIDIN-3-GLUCOSIDE-CMPD-atom22 PELARGONIDIN-3-GLUCOSIDE-CMPD-atom15" order="2"/> <bond id="PELARGONIDIN-3-GLUCOSIDE-CMPD-bond8" atomRefs="PELARGONIDIN-3-GLUCOSIDE-CMPD-atom22 PELARGONIDIN-3-GLUCOSIDE-CMPD-atom20" order="1"/> <bond id="PELARGONIDIN-3-GLUCOSIDE-CMPD-bond9" atomRefs="PELARGONIDIN-3-GLUCOSIDE-CMPD-atom21 PELARGONIDIN-3-GLUCOSIDE-CMPD-atom7" order="1"/> <bond id="PELARGONIDIN-3-GLUCOSIDE-CMPD-bond10" atomRefs="PELARGONIDIN-3-GLUCOSIDE-CMPD-atom21 PELARGONIDIN-3-GLUCOSIDE-CMPD-atom13" order="1"/> <bond id="PELARGONIDIN-3-GLUCOSIDE-CMPD-bond11" atomRefs="PELARGONIDIN-3-GLUCOSIDE-CMPD-atom20 PELARGONIDIN-3-GLUCOSIDE-CMPD-atom12" order="1"/> <bond id="PELARGONIDIN-3-GLUCOSIDE-CMPD-bond12" atomRefs="PELARGONIDIN-3-GLUCOSIDE-CMPD-atom19 PELARGONIDIN-3-GLUCOSIDE-CMPD-atom16" order="A"/> <bond id="PELARGONIDIN-3-GLUCOSIDE-CMPD-bond13" atomRefs="PELARGONIDIN-3-GLUCOSIDE-CMPD-atom19 PELARGONIDIN-3-GLUCOSIDE-CMPD-atom30" order="1"/> <bond id="PELARGONIDIN-3-GLUCOSIDE-CMPD-bond14" atomRefs="PELARGONIDIN-3-GLUCOSIDE-CMPD-atom18 PELARGONIDIN-3-GLUCOSIDE-CMPD-atom22" order="1"/> <bond id="PELARGONIDIN-3-GLUCOSIDE-CMPD-bond15" atomRefs="PELARGONIDIN-3-GLUCOSIDE-CMPD-atom18 PELARGONIDIN-3-GLUCOSIDE-CMPD-atom27" order="1"/> <bond id="PELARGONIDIN-3-GLUCOSIDE-CMPD-bond16" atomRefs="PELARGONIDIN-3-GLUCOSIDE-CMPD-atom17 PELARGONIDIN-3-GLUCOSIDE-CMPD-atom25" order="A"/> <bond id="PELARGONIDIN-3-GLUCOSIDE-CMPD-bond17" atomRefs="PELARGONIDIN-3-GLUCOSIDE-CMPD-atom17 PELARGONIDIN-3-GLUCOSIDE-CMPD-atom1" order="1"/> <bond id="PELARGONIDIN-3-GLUCOSIDE-CMPD-bond18" atomRefs="PELARGONIDIN-3-GLUCOSIDE-CMPD-atom16 PELARGONIDIN-3-GLUCOSIDE-CMPD-atom4" order="A"/> <bond id="PELARGONIDIN-3-GLUCOSIDE-CMPD-bond19" atomRefs="PELARGONIDIN-3-GLUCOSIDE-CMPD-atom15 PELARGONIDIN-3-GLUCOSIDE-CMPD-atom25" order="1"/> <bond id="PELARGONIDIN-3-GLUCOSIDE-CMPD-bond20" atomRefs="PELARGONIDIN-3-GLUCOSIDE-CMPD-atom14 PELARGONIDIN-3-GLUCOSIDE-CMPD-atom5" order="A"/> <bond id="PELARGONIDIN-3-GLUCOSIDE-CMPD-bond21" atomRefs="PELARGONIDIN-3-GLUCOSIDE-CMPD-atom12 PELARGONIDIN-3-GLUCOSIDE-CMPD-atom7" order="1"/> <bond id="PELARGONIDIN-3-GLUCOSIDE-CMPD-bond22" atomRefs="PELARGONIDIN-3-GLUCOSIDE-CMPD-atom12 PELARGONIDIN-3-GLUCOSIDE-CMPD-atom6" order="1"/> <bond id="PELARGONIDIN-3-GLUCOSIDE-CMPD-bond23" atomRefs="PELARGONIDIN-3-GLUCOSIDE-CMPD-atom10 PELARGONIDIN-3-GLUCOSIDE-CMPD-atom21" order="1"/> <bond id="PELARGONIDIN-3-GLUCOSIDE-CMPD-bond24" atomRefs="PELARGONIDIN-3-GLUCOSIDE-CMPD-atom10 PELARGONIDIN-3-GLUCOSIDE-CMPD-atom26" order="1"/> <bond id="PELARGONIDIN-3-GLUCOSIDE-CMPD-bond25" atomRefs="PELARGONIDIN-3-GLUCOSIDE-CMPD-atom9 PELARGONIDIN-3-GLUCOSIDE-CMPD-atom2" order="A"/> <bond id="PELARGONIDIN-3-GLUCOSIDE-CMPD-bond26" atomRefs="PELARGONIDIN-3-GLUCOSIDE-CMPD-atom9 PELARGONIDIN-3-GLUCOSIDE-CMPD-atom28" order="1"/> <bond id="PELARGONIDIN-3-GLUCOSIDE-CMPD-bond27" atomRefs="PELARGONIDIN-3-GLUCOSIDE-CMPD-atom8 PELARGONIDIN-3-GLUCOSIDE-CMPD-atom17" order="A"/> <bond id="PELARGONIDIN-3-GLUCOSIDE-CMPD-bond28" atomRefs="PELARGONIDIN-3-GLUCOSIDE-CMPD-atom6 PELARGONIDIN-3-GLUCOSIDE-CMPD-atom3" order="1"/> <bond id="PELARGONIDIN-3-GLUCOSIDE-CMPD-bond29" atomRefs="PELARGONIDIN-3-GLUCOSIDE-CMPD-atom5 PELARGONIDIN-3-GLUCOSIDE-CMPD-atom9" order="A"/> <bond id="PELARGONIDIN-3-GLUCOSIDE-CMPD-bond30" atomRefs="PELARGONIDIN-3-GLUCOSIDE-CMPD-atom4 PELARGONIDIN-3-GLUCOSIDE-CMPD-atom8" order="A"/> <bond id="PELARGONIDIN-3-GLUCOSIDE-CMPD-bond31" atomRefs="PELARGONIDIN-3-GLUCOSIDE-CMPD-atom4 PELARGONIDIN-3-GLUCOSIDE-CMPD-atom11" order="1"/> <bond id="PELARGONIDIN-3-GLUCOSIDE-CMPD-bond32" atomRefs="PELARGONIDIN-3-GLUCOSIDE-CMPD-atom3 PELARGONIDIN-3-GLUCOSIDE-CMPD-atom10" order="1"/> <bond id="PELARGONIDIN-3-GLUCOSIDE-CMPD-bond33" atomRefs="PELARGONIDIN-3-GLUCOSIDE-CMPD-atom3 PELARGONIDIN-3-GLUCOSIDE-CMPD-atom31" order="1"/> <bond id="PELARGONIDIN-3-GLUCOSIDE-CMPD-bond34" atomRefs="PELARGONIDIN-3-GLUCOSIDE-CMPD-atom2 PELARGONIDIN-3-GLUCOSIDE-CMPD-atom24" order="A"/> <formula concise="C 21 H 21 O 10" formalCharge="0"/> 433.391 C1(OC(CO)C(O)C(O)C(O)1)OC3(C(c2(ccc(O)cc2))=Oc4(c(C=3)c(O)cc(c4)O))
3-(β-D-glucopyranosyloxy)-55,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium chloride
Galactolipid:galactolipid galactosyltransferase
1,4-a-D-glucan:phosphate a-D-glucosyltransferase
1,4-a-D-glucan:1,4-a-D-glucan 4-a-D-glycosyltransferase
UDP-glucose-glycogen glucosyltransferase
<atom id="SUCROSE-atom1" elementType="C" x2="4.9761" y2="0.338"/> <atom id="SUCROSE-atom2" elementType="O" x2="4.3316" y2="0.853"/> <atom id="SUCROSE-atom3" elementType="O" x2="5.4299" y2="-0.3511"/> <atom id="SUCROSE-atom4" elementType="C" x2="5.4911" y2="0.9824"/> <atom id="SUCROSE-atom5" elementType="C" x2="4.2872" y2="-0.1158"/> <atom id="SUCROSE-atom6" elementType="C" x2="3.5633" y2="0.5523"/> <atom id="SUCROSE-atom7" elementType="C" x2="6.2254" y2="-0.1324"/> <atom id="SUCROSE-atom8" elementType="C" x2="6.2633" y2="0.6918"/> <atom id="SUCROSE-atom9" elementType="O" x2="5.2725" y2="1.778"/> <atom id="SUCROSE-atom10" elementType="O" x2="4.3356" y2="-0.9395"/> <atom id="SUCROSE-atom11" elementType="O" x2="3.4395" y2="-0.2633"/> <atom id="SUCROSE-atom12" elementType="C" x2="2.9188" y2="1.0674"/> <atom id="SUCROSE-atom13" elementType="C" x2="6.8699" y2="-0.6474"/> <atom id="SUCROSE-atom14" elementType="O" x2="6.9523" y2="1.1456"/> <atom id="SUCROSE-atom15" elementType="C" x2="2.6712" y2="-0.564"/> <atom id="SUCROSE-atom16" elementType="C" x2="2.1505" y2="0.7667"/> <atom id="SUCROSE-atom17" elementType="O" x2="3.0426" y2="1.8831"/> <atom id="SUCROSE-atom18" elementType="O" x2="6.7461" y2="-1.4631"/> <atom id="SUCROSE-atom19" elementType="C" x2="2.0267" y2="-0.0489"/> <atom id="SUCROSE-atom20" elementType="C" x2="2.5474" y2="-1.3796"/> <atom id="SUCROSE-atom21" elementType="O" x2="1.506" y2="1.2818"/> <atom id="SUCROSE-atom22" elementType="O" x2="1.2584" y2="-0.3496"/> <atom id="SUCROSE-atom23" elementType="O" x2="1.7791" y2="-1.6802"/> <bond id="SUCROSE-bond1" atomRefs="SUCROSE-atom16 SUCROSE-atom19" order="1"/> <bond id="SUCROSE-bond2" atomRefs="SUCROSE-atom7 SUCROSE-atom8" order="1"/> <bond id="SUCROSE-bond3" atomRefs="SUCROSE-atom20 SUCROSE-atom23" order="1"/> <bond id="SUCROSE-bond4" atomRefs="SUCROSE-atom19 SUCROSE-atom22" order="1"/> <bond id="SUCROSE-bond5" atomRefs="SUCROSE-atom16 SUCROSE-atom21" order="1"/> <bond id="SUCROSE-bond6" atomRefs="SUCROSE-atom15 SUCROSE-atom20" order="1"/> <bond id="SUCROSE-bond7" atomRefs="SUCROSE-atom19 SUCROSE-atom15" order="1"/> <bond id="SUCROSE-bond8" atomRefs="SUCROSE-atom13 SUCROSE-atom18" order="1"/> <bond id="SUCROSE-bond9" atomRefs="SUCROSE-atom12 SUCROSE-atom17" order="1"/> <bond id="SUCROSE-bond10" atomRefs="SUCROSE-atom12 SUCROSE-atom16" order="1"/> <bond id="SUCROSE-bond11" atomRefs="SUCROSE-atom15 SUCROSE-atom11" order="1"/> <bond id="SUCROSE-bond12" atomRefs="SUCROSE-atom8 SUCROSE-atom14" order="1"/> <bond id="SUCROSE-bond13" atomRefs="SUCROSE-atom7 SUCROSE-atom13" order="1"/> <bond id="SUCROSE-bond14" atomRefs="SUCROSE-atom6 SUCROSE-atom12" order="1"/> <bond id="SUCROSE-bond15" atomRefs="SUCROSE-atom6 SUCROSE-atom11" order="1"/> <bond id="SUCROSE-bond16" atomRefs="SUCROSE-atom5 SUCROSE-atom10" order="1"/> <bond id="SUCROSE-bond17" atomRefs="SUCROSE-atom4 SUCROSE-atom9" order="1"/> <bond id="SUCROSE-bond18" atomRefs="SUCROSE-atom4 SUCROSE-atom8" order="1"/> <bond id="SUCROSE-bond19" atomRefs="SUCROSE-atom3 SUCROSE-atom7" order="1"/> <bond id="SUCROSE-bond20" atomRefs="SUCROSE-atom6 SUCROSE-atom2" order="1"/> <bond id="SUCROSE-bond21" atomRefs="SUCROSE-atom1 SUCROSE-atom5" order="1"/> <bond id="SUCROSE-bond22" atomRefs="SUCROSE-atom1 SUCROSE-atom4" order="1"/> <bond id="SUCROSE-bond23" atomRefs="SUCROSE-atom1 SUCROSE-atom3" order="1"/> <bond id="SUCROSE-bond24" atomRefs="SUCROSE-atom1 SUCROSE-atom2" order="1"/> <formula concise="C 12 H 22 O 11" formalCharge="0"/> 342.299 C(O)C1(OC(CO)C(O)C(O)1)OC2(C(O)C(O)C(O)C(O2)CO)
α-D-glucopyranosyl β-D-fructofuranoside
UDP-glucose-fructose glucosyltransferase
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elementType="C" x2="8.7072" y2="-4.3761"/> <atom id="PHOSPHORIBOSYL-ATP-atom14" elementType="C" x2="7.5247" y2="-2.7725"/> <atom id="PHOSPHORIBOSYL-ATP-atom15" elementType="C" x2="7.7737" y2="-1.9874"/> <atom id="PHOSPHORIBOSYL-ATP-atom16" elementType="C" x2="8.5987" y2="-1.9874"/> <atom id="PHOSPHORIBOSYL-ATP-atom17" elementType="C" x2="8.8524" y2="-2.7725"/> <atom id="PHOSPHORIBOSYL-ATP-atom18" elementType="N" x2="7.2769" y2="-5.2058"/> <atom id="PHOSPHORIBOSYL-ATP-atom19" elementType="N" x2="9.4949" y2="-4.1282"/> <atom id="PHOSPHORIBOSYL-ATP-atom20" elementType="P" x2="5.3121" y2="-2.4844"/> <atom id="PHOSPHORIBOSYL-ATP-atom21" elementType="O" x2="9.0842" y2="-1.3204"/> <atom id="PHOSPHORIBOSYL-ATP-atom22" elementType="O" x2="4.4916" y2="-2.4844"/> <atom id="PHOSPHORIBOSYL-ATP-atom23" elementType="O" x2="3.6666" y2="-3.3112"/> <atom id="PHOSPHORIBOSYL-ATP-atom24" elementType="O" x2="3.6641" y2="-1.6612"/> <atom id="PHOSPHORIBOSYL-ATP-atom25" elementType="P" x2="3.6657" y2="-2.4862"/> <atom id="PHOSPHORIBOSYL-ATP-atom26" elementType="O" x2="2.8407" y2="-2.4862"/> <atom id="PHOSPHORIBOSYL-ATP-atom27" elementType="O" x2="2.0157" y2="-3.313"/> <atom id="PHOSPHORIBOSYL-ATP-atom28" elementType="O" x2="2.0132" y2="-1.663"/> <atom id="PHOSPHORIBOSYL-ATP-atom29" elementType="O" x2="1.1898" y2="-2.488"/> <atom id="PHOSPHORIBOSYL-ATP-atom30" elementType="P" x2="2.0148" y2="-2.488"/> <atom id="PHOSPHORIBOSYL-ATP-atom31" elementType="N" x2="7.9852" y2="-6.4411"/> <atom id="PHOSPHORIBOSYL-ATP-atom32" elementType="C" x2="6.3437" y2="-5.5484"/> <atom id="PHOSPHORIBOSYL-ATP-atom33" elementType="C" x2="6.1017" y2="-4.7596"/> <atom id="PHOSPHORIBOSYL-ATP-atom34" elementType="C" x2="5.2768" y2="-4.7461"/> <atom id="PHOSPHORIBOSYL-ATP-atom35" elementType="C" x2="5.009" y2="-5.5264"/> <atom id="PHOSPHORIBOSYL-ATP-atom36" elementType="C" x2="4.304" y2="-5.9548"/> <atom id="PHOSPHORIBOSYL-ATP-atom37" elementType="O" x2="3.5804" y2="-5.5584"/> <atom id="PHOSPHORIBOSYL-ATP-atom38" elementType="O" x2="2.7554" y2="-4.7334"/> <atom id="PHOSPHORIBOSYL-ATP-atom39" elementType="O" x2="1.9304" y2="-5.5584"/> <atom id="PHOSPHORIBOSYL-ATP-atom40" elementType="O" x2="2.7554" y2="-6.3834"/> <atom id="PHOSPHORIBOSYL-ATP-atom41" elementType="P" x2="2.7554" y2="-5.5584"/> <atom id="PHOSPHORIBOSYL-ATP-atom42" elementType="O" x2="4.8029" y2="-4.0708"/> <atom id="PHOSPHORIBOSYL-ATP-atom43" elementType="O" x2="6.5975" y2="-4.1003"/> <atom id="PHOSPHORIBOSYL-ATP-atom44" elementType="O" x2="5.6684" y2="-6.0222"/> <bond id="PHOSPHORIBOSYL-ATP-bond1" atomRefs="PHOSPHORIBOSYL-ATP-atom41 PHOSPHORIBOSYL-ATP-atom38" order="2"/> <bond id="PHOSPHORIBOSYL-ATP-bond2" atomRefs="PHOSPHORIBOSYL-ATP-atom41 PHOSPHORIBOSYL-ATP-atom40" order="1"/> <bond id="PHOSPHORIBOSYL-ATP-bond3" atomRefs="PHOSPHORIBOSYL-ATP-atom41 PHOSPHORIBOSYL-ATP-atom39" order="1"/> <bond id="PHOSPHORIBOSYL-ATP-bond4" atomRefs="PHOSPHORIBOSYL-ATP-atom37 PHOSPHORIBOSYL-ATP-atom41" order="1"/> <bond id="PHOSPHORIBOSYL-ATP-bond5" atomRefs="PHOSPHORIBOSYL-ATP-atom36 PHOSPHORIBOSYL-ATP-atom37" order="1"/> <bond id="PHOSPHORIBOSYL-ATP-bond6" atomRefs="PHOSPHORIBOSYL-ATP-atom35 PHOSPHORIBOSYL-ATP-atom36" order="1"/> <bond id="PHOSPHORIBOSYL-ATP-bond7" atomRefs="PHOSPHORIBOSYL-ATP-atom34 PHOSPHORIBOSYL-ATP-atom42" order="1"/> <bond id="PHOSPHORIBOSYL-ATP-bond8" atomRefs="PHOSPHORIBOSYL-ATP-atom33 PHOSPHORIBOSYL-ATP-atom43" order="1"/> <bond id="PHOSPHORIBOSYL-ATP-bond9" atomRefs="PHOSPHORIBOSYL-ATP-atom35 PHOSPHORIBOSYL-ATP-atom44" order="1"/> <bond id="PHOSPHORIBOSYL-ATP-bond10" atomRefs="PHOSPHORIBOSYL-ATP-atom34 PHOSPHORIBOSYL-ATP-atom35" order="1"/> <bond id="PHOSPHORIBOSYL-ATP-bond11" atomRefs="PHOSPHORIBOSYL-ATP-atom33 PHOSPHORIBOSYL-ATP-atom34" order="1"/> <bond id="PHOSPHORIBOSYL-ATP-bond12" atomRefs="PHOSPHORIBOSYL-ATP-atom33 PHOSPHORIBOSYL-ATP-atom32" order="1"/> <bond id="PHOSPHORIBOSYL-ATP-bond13" atomRefs="PHOSPHORIBOSYL-ATP-atom44 PHOSPHORIBOSYL-ATP-atom32" order="1"/> <bond id="PHOSPHORIBOSYL-ATP-bond14" atomRefs="PHOSPHORIBOSYL-ATP-atom32 PHOSPHORIBOSYL-ATP-atom18" order="1"/> <bond id="PHOSPHORIBOSYL-ATP-bond15" atomRefs="PHOSPHORIBOSYL-ATP-atom29 PHOSPHORIBOSYL-ATP-atom30" order="1"/> <bond id="PHOSPHORIBOSYL-ATP-bond16" atomRefs="PHOSPHORIBOSYL-ATP-atom28 PHOSPHORIBOSYL-ATP-atom30" order="1"/> <bond id="PHOSPHORIBOSYL-ATP-bond17" atomRefs="PHOSPHORIBOSYL-ATP-atom27 PHOSPHORIBOSYL-ATP-atom30" order="2"/> <bond id="PHOSPHORIBOSYL-ATP-bond18" atomRefs="PHOSPHORIBOSYL-ATP-atom26 PHOSPHORIBOSYL-ATP-atom30" order="1"/> <bond id="PHOSPHORIBOSYL-ATP-bond19" atomRefs="PHOSPHORIBOSYL-ATP-atom26 PHOSPHORIBOSYL-ATP-atom25" order="1"/> <bond id="PHOSPHORIBOSYL-ATP-bond20" atomRefs="PHOSPHORIBOSYL-ATP-atom24 PHOSPHORIBOSYL-ATP-atom25" order="1"/> <bond id="PHOSPHORIBOSYL-ATP-bond21" atomRefs="PHOSPHORIBOSYL-ATP-atom23 PHOSPHORIBOSYL-ATP-atom25" order="2"/> <bond id="PHOSPHORIBOSYL-ATP-bond22" atomRefs="PHOSPHORIBOSYL-ATP-atom22 PHOSPHORIBOSYL-ATP-atom25" order="1"/> <bond id="PHOSPHORIBOSYL-ATP-bond23" atomRefs="PHOSPHORIBOSYL-ATP-atom16 PHOSPHORIBOSYL-ATP-atom21" order="1"/> <bond id="PHOSPHORIBOSYL-ATP-bond24" atomRefs="PHOSPHORIBOSYL-ATP-atom31 PHOSPHORIBOSYL-ATP-atom11" order="2"/> <bond id="PHOSPHORIBOSYL-ATP-bond25" atomRefs="PHOSPHORIBOSYL-ATP-atom1 PHOSPHORIBOSYL-ATP-atom20" order="2"/> <bond id="PHOSPHORIBOSYL-ATP-bond26" atomRefs="PHOSPHORIBOSYL-ATP-atom15 PHOSPHORIBOSYL-ATP-atom2" order="1"/> <bond id="PHOSPHORIBOSYL-ATP-bond27" atomRefs="PHOSPHORIBOSYL-ATP-atom3 PHOSPHORIBOSYL-ATP-atom20" order="1"/> <bond id="PHOSPHORIBOSYL-ATP-bond28" atomRefs="PHOSPHORIBOSYL-ATP-atom6 PHOSPHORIBOSYL-ATP-atom4" order="A"/> <bond id="PHOSPHORIBOSYL-ATP-bond29" atomRefs="PHOSPHORIBOSYL-ATP-atom4 PHOSPHORIBOSYL-ATP-atom19" order="A"/> <bond id="PHOSPHORIBOSYL-ATP-bond30" atomRefs="PHOSPHORIBOSYL-ATP-atom5 PHOSPHORIBOSYL-ATP-atom8" order="1"/> <bond id="PHOSPHORIBOSYL-ATP-bond31" atomRefs="PHOSPHORIBOSYL-ATP-atom14 PHOSPHORIBOSYL-ATP-atom5" order="1"/> <bond id="PHOSPHORIBOSYL-ATP-bond32" atomRefs="PHOSPHORIBOSYL-ATP-atom12 PHOSPHORIBOSYL-ATP-atom6" order="A"/> <bond id="PHOSPHORIBOSYL-ATP-bond33" atomRefs="PHOSPHORIBOSYL-ATP-atom10 PHOSPHORIBOSYL-ATP-atom7" order="A"/> <bond id="PHOSPHORIBOSYL-ATP-bond34" atomRefs="PHOSPHORIBOSYL-ATP-atom7 PHOSPHORIBOSYL-ATP-atom13" order="A"/> <bond id="PHOSPHORIBOSYL-ATP-bond35" atomRefs="PHOSPHORIBOSYL-ATP-atom8 PHOSPHORIBOSYL-ATP-atom20" order="1"/> <bond id="PHOSPHORIBOSYL-ATP-bond36" atomRefs="PHOSPHORIBOSYL-ATP-atom9 PHOSPHORIBOSYL-ATP-atom14" order="1"/> <bond id="PHOSPHORIBOSYL-ATP-bond37" atomRefs="PHOSPHORIBOSYL-ATP-atom9 PHOSPHORIBOSYL-ATP-atom17" order="1"/> <bond id="PHOSPHORIBOSYL-ATP-bond38" atomRefs="PHOSPHORIBOSYL-ATP-atom22 PHOSPHORIBOSYL-ATP-atom20" order="1"/> <bond id="PHOSPHORIBOSYL-ATP-bond39" atomRefs="PHOSPHORIBOSYL-ATP-atom18 PHOSPHORIBOSYL-ATP-atom10" order="A"/> <bond id="PHOSPHORIBOSYL-ATP-bond40" atomRefs="PHOSPHORIBOSYL-ATP-atom12 PHOSPHORIBOSYL-ATP-atom11" order="A"/> <bond id="PHOSPHORIBOSYL-ATP-bond41" atomRefs="PHOSPHORIBOSYL-ATP-atom11 PHOSPHORIBOSYL-ATP-atom18" order="A"/> <bond id="PHOSPHORIBOSYL-ATP-bond42" atomRefs="PHOSPHORIBOSYL-ATP-atom13 PHOSPHORIBOSYL-ATP-atom12" order="A"/> <bond id="PHOSPHORIBOSYL-ATP-bond43" atomRefs="PHOSPHORIBOSYL-ATP-atom19 PHOSPHORIBOSYL-ATP-atom13" order="A"/> <bond id="PHOSPHORIBOSYL-ATP-bond44" atomRefs="PHOSPHORIBOSYL-ATP-atom14 PHOSPHORIBOSYL-ATP-atom15" order="1"/> <bond id="PHOSPHORIBOSYL-ATP-bond45" atomRefs="PHOSPHORIBOSYL-ATP-atom15 PHOSPHORIBOSYL-ATP-atom16" order="1"/> <bond id="PHOSPHORIBOSYL-ATP-bond46" atomRefs="PHOSPHORIBOSYL-ATP-atom16 PHOSPHORIBOSYL-ATP-atom17" order="1"/> <bond id="PHOSPHORIBOSYL-ATP-bond47" atomRefs="PHOSPHORIBOSYL-ATP-atom17 PHOSPHORIBOSYL-ATP-atom19" order="1"/> <formula concise="C 15 H 25 N 5 O 20 P 4" formalCharge="0"/> 719.279 C(OP(O)(=O)OP(=O)(O)OP(O)(O)=O)C1(OC(C(O)C(O)1)n3(c2(ncn(c(=N)c2nc3)C4(OC(C(O)C(O)4)COP(O)(=O)O))))
<atom id="D-ERYTHRO-IMIDAZOLE-GLYCEROL-P-atom1" elementType="C" x2="-1.0" y2="0.2835821"/> <atom id="D-ERYTHRO-IMIDAZOLE-GLYCEROL-P-atom2" elementType="H" x2="-0.5895523" y2="0.99626863"/> <atom id="D-ERYTHRO-IMIDAZOLE-GLYCEROL-P-atom3" elementType="C" x2="-1.0" y2="-0.052238822"/> <atom id="D-ERYTHRO-IMIDAZOLE-GLYCEROL-P-atom4" elementType="P" x2="-0.38432837" y2="-0.69029856"/> <atom id="D-ERYTHRO-IMIDAZOLE-GLYCEROL-P-atom5" elementType="O" x2="-0.07089555" y2="-0.69029856"/> <atom id="D-ERYTHRO-IMIDAZOLE-GLYCEROL-P-atom6" elementType="O" x2="-0.6865672" y2="-0.36567163"/> <atom id="D-ERYTHRO-IMIDAZOLE-GLYCEROL-P-atom7" elementType="N" x2="-0.75" y2="0.78731334"/> <atom id="D-ERYTHRO-IMIDAZOLE-GLYCEROL-P-atom8" elementType="C" x2="-0.58208954" y2="0.53731334"/> <atom id="D-ERYTHRO-IMIDAZOLE-GLYCEROL-P-atom9" elementType="N" x2="-0.75" y2="0.2835821"/> <atom id="D-ERYTHRO-IMIDAZOLE-GLYCEROL-P-atom10" elementType="C" x2="-1.0" y2="-0.69029856"/> <atom id="D-ERYTHRO-IMIDAZOLE-GLYCEROL-P-atom11" elementType="O" x2="-0.6865672" y2="-0.052238822"/> <atom id="D-ERYTHRO-IMIDAZOLE-GLYCEROL-P-atom12" elementType="O" x2="-0.38432837" y2="-1.0"/> <atom id="D-ERYTHRO-IMIDAZOLE-GLYCEROL-P-atom13" elementType="C" x2="-1.0" y2="-0.36567163"/> <atom id="D-ERYTHRO-IMIDAZOLE-GLYCEROL-P-atom14" elementType="O" x2="-0.38432837" y2="-0.38432837"/> <atom id="D-ERYTHRO-IMIDAZOLE-GLYCEROL-P-atom15" elementType="O" x2="-0.70149255" y2="-0.69029856"/> <atom id="D-ERYTHRO-IMIDAZOLE-GLYCEROL-P-atom16" elementType="C" x2="-1.0" y2="0.78731334"/> <bond id="D-ERYTHRO-IMIDAZOLE-GLYCEROL-P-bond1" atomRefs="D-ERYTHRO-IMIDAZOLE-GLYCEROL-P-atom16 D-ERYTHRO-IMIDAZOLE-GLYCEROL-P-atom1" order="A"/> <bond id="D-ERYTHRO-IMIDAZOLE-GLYCEROL-P-bond2" atomRefs="D-ERYTHRO-IMIDAZOLE-GLYCEROL-P-atom15 D-ERYTHRO-IMIDAZOLE-GLYCEROL-P-atom4" order="1"/> <bond id="D-ERYTHRO-IMIDAZOLE-GLYCEROL-P-bond3" atomRefs="D-ERYTHRO-IMIDAZOLE-GLYCEROL-P-atom14 D-ERYTHRO-IMIDAZOLE-GLYCEROL-P-atom4" order="2"/> <bond id="D-ERYTHRO-IMIDAZOLE-GLYCEROL-P-bond4" atomRefs="D-ERYTHRO-IMIDAZOLE-GLYCEROL-P-atom13 D-ERYTHRO-IMIDAZOLE-GLYCEROL-P-atom10" order="1"/> <bond id="D-ERYTHRO-IMIDAZOLE-GLYCEROL-P-bond5" atomRefs="D-ERYTHRO-IMIDAZOLE-GLYCEROL-P-atom12 D-ERYTHRO-IMIDAZOLE-GLYCEROL-P-atom4" order="1"/> <bond id="D-ERYTHRO-IMIDAZOLE-GLYCEROL-P-bond6" atomRefs="D-ERYTHRO-IMIDAZOLE-GLYCEROL-P-atom11 D-ERYTHRO-IMIDAZOLE-GLYCEROL-P-atom3" order="1"/> <bond id="D-ERYTHRO-IMIDAZOLE-GLYCEROL-P-bond7" atomRefs="D-ERYTHRO-IMIDAZOLE-GLYCEROL-P-atom10 D-ERYTHRO-IMIDAZOLE-GLYCEROL-P-atom15" order="1"/> <bond id="D-ERYTHRO-IMIDAZOLE-GLYCEROL-P-bond8" atomRefs="D-ERYTHRO-IMIDAZOLE-GLYCEROL-P-atom9 D-ERYTHRO-IMIDAZOLE-GLYCEROL-P-atom8" order="A"/> <bond id="D-ERYTHRO-IMIDAZOLE-GLYCEROL-P-bond9" atomRefs="D-ERYTHRO-IMIDAZOLE-GLYCEROL-P-atom8 D-ERYTHRO-IMIDAZOLE-GLYCEROL-P-atom7" order="A"/> <bond id="D-ERYTHRO-IMIDAZOLE-GLYCEROL-P-bond10" atomRefs="D-ERYTHRO-IMIDAZOLE-GLYCEROL-P-atom7 D-ERYTHRO-IMIDAZOLE-GLYCEROL-P-atom2" order="1"/> <bond id="D-ERYTHRO-IMIDAZOLE-GLYCEROL-P-bond11" atomRefs="D-ERYTHRO-IMIDAZOLE-GLYCEROL-P-atom7 D-ERYTHRO-IMIDAZOLE-GLYCEROL-P-atom16" order="A"/> <bond id="D-ERYTHRO-IMIDAZOLE-GLYCEROL-P-bond12" atomRefs="D-ERYTHRO-IMIDAZOLE-GLYCEROL-P-atom6 D-ERYTHRO-IMIDAZOLE-GLYCEROL-P-atom13" order="1"/> <bond id="D-ERYTHRO-IMIDAZOLE-GLYCEROL-P-bond13" atomRefs="D-ERYTHRO-IMIDAZOLE-GLYCEROL-P-atom5 D-ERYTHRO-IMIDAZOLE-GLYCEROL-P-atom4" order="1"/> <bond id="D-ERYTHRO-IMIDAZOLE-GLYCEROL-P-bond14" atomRefs="D-ERYTHRO-IMIDAZOLE-GLYCEROL-P-atom3 D-ERYTHRO-IMIDAZOLE-GLYCEROL-P-atom13" order="1"/> <bond id="D-ERYTHRO-IMIDAZOLE-GLYCEROL-P-bond15" atomRefs="D-ERYTHRO-IMIDAZOLE-GLYCEROL-P-atom1 D-ERYTHRO-IMIDAZOLE-GLYCEROL-P-atom3" order="1"/> <bond id="D-ERYTHRO-IMIDAZOLE-GLYCEROL-P-bond16" atomRefs="D-ERYTHRO-IMIDAZOLE-GLYCEROL-P-atom1 D-ERYTHRO-IMIDAZOLE-GLYCEROL-P-atom9" order="A"/> <formula concise="C 6 H 11 N 2 O 6 P 1" formalCharge="0"/> 238.136 C(OP(O)(=O)O)C(O)C(O)c1(c[nH]cn1)
<atom id="GUANOSINE-atom1" elementType="C" x2="-0.6438849" y2="-0.34172663"/> <atom id="GUANOSINE-atom2" elementType="H" x2="0.14028777" y2="-0.71582735"/> <atom id="GUANOSINE-atom3" elementType="O" x2="-0.48920864" y2="-1.0"/> <atom id="GUANOSINE-atom4" elementType="C" x2="-0.01438849" y2="-0.8201439"/> <atom id="GUANOSINE-atom5" elementType="O" x2="-0.01438849" y2="-1.0"/> <atom id="GUANOSINE-atom6" elementType="C" x2="-0.48920864" y2="-0.8201439"/> <atom id="GUANOSINE-atom7" elementType="O" x2="-0.94244605" y2="-0.34172663"/> <atom id="GUANOSINE-atom8" elementType="H" x2="-0.6438849" y2="-0.71582735"/> <atom id="GUANOSINE-atom9" elementType="C" x2="-0.26258993" y2="0.5539568"/> <atom id="GUANOSINE-atom10" elementType="H" x2="-0.48920864" y2="-0.64028776"/> <atom id="GUANOSINE-atom11" elementType="C" x2="0.14028777" y2="-0.5359712"/> <atom id="GUANOSINE-atom12" elementType="C" x2="-0.26258993" y2="0.2913669"/> <atom id="GUANOSINE-atom13" elementType="N" x2="0.14028777" y2="0.2913669"/> <atom id="GUANOSINE-atom14" elementType="N" x2="-1.0" y2="0.1438849"/> <atom id="GUANOSINE-atom15" elementType="C" x2="-0.6438849" y2="-0.5359712"/> <atom id="GUANOSINE-atom16" elementType="H" x2="-0.01438849" y2="-0.64028776"/> <atom id="GUANOSINE-atom17" elementType="C" x2="-0.5" y2="0.70143884"/> <atom id="GUANOSINE-atom18" elementType="O" x2="-0.5" y2="0.99640286"/> <atom id="GUANOSINE-atom19" elementType="C" x2="-0.7410072" y2="0.2913669"/> <atom id="GUANOSINE-atom20" elementType="N" x2="-0.05035971" y2="0.66906476"/> <atom id="GUANOSINE-atom21" elementType="N" x2="-0.5" y2="0.13309352"/> <atom id="GUANOSINE-atom22" elementType="H" x2="-0.96043164" y2="0.6366907"/> <atom id="GUANOSINE-atom23" elementType="O" x2="-0.25539568" y2="-0.30215827"/> <atom id="GUANOSINE-atom24" elementType="C" x2="0.14028777" y2="0.5323741"/> <atom id="GUANOSINE-atom25" elementType="N" x2="-0.7410072" y2="0.5539568"/> <bond id="GUANOSINE-bond1" atomRefs="GUANOSINE-atom25 GUANOSINE-atom22" order="1"/> <bond id="GUANOSINE-bond2" atomRefs="GUANOSINE-atom25 GUANOSINE-atom17" order="A"/> <bond id="GUANOSINE-bond3" atomRefs="GUANOSINE-atom24 GUANOSINE-atom20" order="A"/> <bond id="GUANOSINE-bond4" atomRefs="GUANOSINE-atom23 GUANOSINE-atom11" order="1"/> <bond id="GUANOSINE-bond5" atomRefs="GUANOSINE-atom21 GUANOSINE-atom19" order="A"/> <bond id="GUANOSINE-bond6" atomRefs="GUANOSINE-atom20 GUANOSINE-atom9" order="A"/> <bond id="GUANOSINE-bond7" atomRefs="GUANOSINE-atom19 GUANOSINE-atom25" order="A"/> <bond id="GUANOSINE-bond8" atomRefs="GUANOSINE-atom18 GUANOSINE-atom17" order="2"/> <bond id="GUANOSINE-bond9" atomRefs="GUANOSINE-atom17 GUANOSINE-atom9" order="A"/> <bond id="GUANOSINE-bond10" atomRefs="GUANOSINE-atom16 GUANOSINE-atom4" order="1"/> <bond id="GUANOSINE-bond11" atomRefs="GUANOSINE-atom15 GUANOSINE-atom23" order="1"/> <bond id="GUANOSINE-bond12" atomRefs="GUANOSINE-atom15 GUANOSINE-atom6" order="1"/> <bond id="GUANOSINE-bond13" atomRefs="GUANOSINE-atom14 GUANOSINE-atom19" order="1"/> <bond id="GUANOSINE-bond14" atomRefs="GUANOSINE-atom13 GUANOSINE-atom24" order="A"/> <bond id="GUANOSINE-bond15" atomRefs="GUANOSINE-atom12 GUANOSINE-atom13" order="A"/> <bond id="GUANOSINE-bond16" atomRefs="GUANOSINE-atom12 GUANOSINE-atom21" order="A"/> <bond id="GUANOSINE-bond17" atomRefs="GUANOSINE-atom11 GUANOSINE-atom13" order="1"/> <bond id="GUANOSINE-bond18" atomRefs="GUANOSINE-atom11 GUANOSINE-atom4" order="1"/> <bond id="GUANOSINE-bond19" atomRefs="GUANOSINE-atom10 GUANOSINE-atom6" order="1"/> <bond id="GUANOSINE-bond20" atomRefs="GUANOSINE-atom9 GUANOSINE-atom12" order="A"/> <bond id="GUANOSINE-bond21" atomRefs="GUANOSINE-atom8 GUANOSINE-atom15" order="1"/> <bond id="GUANOSINE-bond22" atomRefs="GUANOSINE-atom7 GUANOSINE-atom1" order="1"/> <bond id="GUANOSINE-bond23" atomRefs="GUANOSINE-atom6 GUANOSINE-atom4" order="1"/> <bond id="GUANOSINE-bond24" atomRefs="GUANOSINE-atom5 GUANOSINE-atom4" order="1"/> <bond id="GUANOSINE-bond25" atomRefs="GUANOSINE-atom3 GUANOSINE-atom6" order="1"/> <bond id="GUANOSINE-bond26" atomRefs="GUANOSINE-atom2 GUANOSINE-atom11" order="1"/> <bond id="GUANOSINE-bond27" atomRefs="GUANOSINE-atom1 GUANOSINE-atom15" order="1"/> <formula concise="C 10 H 13 N 5 O 5" formalCharge="0"/> 283.243 C(O)[CH]1(O[CH]([CH](O)[CH]1O)n2(c3(c(nc2)c(=O)[nH]c(n3)N)))
<atom id="GUANINE-atom1" elementType="H" x2="0.9969183" y2="0.30970725"/> <atom id="GUANINE-atom2" elementType="C" x2="-1.0" y2="-0.2511556"/> <atom id="GUANINE-atom3" elementType="C" x2="0.57473034" y2="-0.48228043"/> <atom id="GUANINE-atom4" elementType="N" x2="-0.71648693" y2="-0.6394453"/> <atom id="GUANINE-atom5" elementType="H" x2="-0.71648693" y2="-1.0"/> <atom id="GUANINE-atom6" elementType="N" x2="-0.71648693" y2="0.14021571"/> <atom id="GUANINE-atom7" elementType="O" x2="0.15562403" y2="0.7103236"/> <atom id="GUANINE-atom8" elementType="N" x2="0.1587057" y2="-0.7318952"/> <atom id="GUANINE-atom9" elementType="C" x2="-0.2511556" y2="-0.48844376"/> <atom id="GUANINE-atom10" elementType="C" x2="-0.2511556" y2="-0.010785825"/> <atom id="GUANINE-atom11" elementType="N" x2="0.57473034" y2="-0.010785825"/> <atom id="GUANINE-atom12" elementType="C" x2="0.15562403" y2="0.23266564"/> <atom id="GUANINE-atom13" elementType="N" x2="0.9969183" y2="-0.7288136"/> <bond id="GUANINE-bond1" atomRefs="GUANINE-atom13 GUANINE-atom3" order="1"/> <bond id="GUANINE-bond2" atomRefs="GUANINE-atom12 GUANINE-atom11" order="A"/> <bond id="GUANINE-bond3" atomRefs="GUANINE-atom11 GUANINE-atom3" order="A"/> <bond id="GUANINE-bond4" atomRefs="GUANINE-atom11 GUANINE-atom1" order="1"/> <bond id="GUANINE-bond5" atomRefs="GUANINE-atom10 GUANINE-atom12" order="A"/> <bond id="GUANINE-bond6" atomRefs="GUANINE-atom10 GUANINE-atom9" order="A"/> <bond id="GUANINE-bond7" atomRefs="GUANINE-atom9 GUANINE-atom4" order="A"/> <bond id="GUANINE-bond8" atomRefs="GUANINE-atom8 GUANINE-atom9" order="A"/> <bond id="GUANINE-bond9" atomRefs="GUANINE-atom7 GUANINE-atom12" order="2"/> <bond id="GUANINE-bond10" atomRefs="GUANINE-atom6 GUANINE-atom10" order="A"/> <bond id="GUANINE-bond11" atomRefs="GUANINE-atom4 GUANINE-atom5" order="1"/> <bond id="GUANINE-bond12" atomRefs="GUANINE-atom4 GUANINE-atom2" order="A"/> <bond id="GUANINE-bond13" atomRefs="GUANINE-atom3 GUANINE-atom8" order="A"/> <bond id="GUANINE-bond14" atomRefs="GUANINE-atom2 GUANINE-atom6" order="A"/> <formula concise="C 5 H 5 N 5 O 1" formalCharge="0"/> 151.127 c12([nH]cnc(c(=O)[nH]c(N)n1)2)
Hypoxanthine-guanine phosphoribosyltransferase
<atom id="INOSINE-atom1" elementType="C" x2="-0.3057554" y2="0.5503597"/> <atom id="INOSINE-atom2" elementType="H" x2="-0.37769786" y2="-0.64748204"/> <atom id="INOSINE-atom3" elementType="O" x2="-0.2877698" y2="-0.32374102"/> <atom id="INOSINE-atom4" elementType="C" x2="-0.44604316" y2="-0.81654674"/> <atom id="INOSINE-atom5" elementType="C" x2="-0.1294964" y2="-0.81654674"/> <atom id="INOSINE-atom6" elementType="C" x2="-0.64028776" y2="-0.15827338"/> <atom id="INOSINE-atom7" elementType="H" x2="0.15107913" y2="-0.50359714"/> <atom id="INOSINE-atom8" elementType="O" x2="-0.5467626" y2="0.99640286"/> <atom id="INOSINE-atom9" elementType="C" x2="-0.05035971" y2="-0.50359714"/> <atom id="INOSINE-atom10" elementType="C" x2="-0.5467626" y2="0.6942446"/> <atom id="INOSINE-atom11" elementType="H" x2="-0.6366907" y2="-0.65467626"/> <atom id="INOSINE-atom12" elementType="O" x2="-0.44604316" y2="-1.0"/> <atom id="INOSINE-atom13" elementType="N" x2="-0.05035971" y2="0.107913665"/> <atom id="INOSINE-atom14" elementType="O" x2="-0.94244605" y2="-0.15827338"/> <atom id="INOSINE-atom15" elementType="N" x2="-0.8057554" y2="0.5611511"/> <atom id="INOSINE-atom16" elementType="C" x2="-0.3057554" y2="0.26258993"/> <atom id="INOSINE-atom17" elementType="C" x2="-0.54316545" y2="-0.5"/> <atom id="INOSINE-atom18" elementType="H" x2="-0.20503597" y2="-0.6510791"/> <atom id="INOSINE-atom19" elementType="C" x2="0.15827338" y2="0.37410071"/> <atom id="INOSINE-atom20" elementType="O" x2="-0.08273381" y2="-0.9928058"/> <atom id="INOSINE-atom21" elementType="N" x2="-0.5503597" y2="0.107913665"/> <atom id="INOSINE-atom22" elementType="C" x2="-0.8057554" y2="0.2589928"/> <atom id="INOSINE-atom23" elementType="N" x2="-0.043165468" y2="0.65467626"/> <atom id="INOSINE-atom24" elementType="H" x2="-1.0" y2="0.68345326"/> <bond id="INOSINE-bond1" atomRefs="INOSINE-atom24 INOSINE-atom15" order="1"/> <bond id="INOSINE-bond2" atomRefs="INOSINE-atom23 INOSINE-atom1" order="A"/> <bond id="INOSINE-bond3" atomRefs="INOSINE-atom22 INOSINE-atom21" order="A"/> <bond id="INOSINE-bond4" atomRefs="INOSINE-atom21 INOSINE-atom16" order="A"/> <bond id="INOSINE-bond5" atomRefs="INOSINE-atom20 INOSINE-atom5" order="1"/> <bond id="INOSINE-bond6" atomRefs="INOSINE-atom19 INOSINE-atom23" order="A"/> <bond id="INOSINE-bond7" atomRefs="INOSINE-atom18 INOSINE-atom5" order="1"/> <bond id="INOSINE-bond8" atomRefs="INOSINE-atom17 INOSINE-atom4" order="1"/> <bond id="INOSINE-bond9" atomRefs="INOSINE-atom17 INOSINE-atom3" order="1"/> <bond id="INOSINE-bond10" atomRefs="INOSINE-atom16 INOSINE-atom13" order="A"/> <bond id="INOSINE-bond11" atomRefs="INOSINE-atom15 INOSINE-atom22" order="A"/> <bond id="INOSINE-bond12" atomRefs="INOSINE-atom14 INOSINE-atom6" order="1"/> <bond id="INOSINE-bond13" atomRefs="INOSINE-atom13 INOSINE-atom19" order="A"/> <bond id="INOSINE-bond14" atomRefs="INOSINE-atom12 INOSINE-atom4" order="1"/> <bond id="INOSINE-bond15" atomRefs="INOSINE-atom11 INOSINE-atom17" order="1"/> <bond id="INOSINE-bond16" atomRefs="INOSINE-atom10 INOSINE-atom15" order="A"/> <bond id="INOSINE-bond17" atomRefs="INOSINE-atom9 INOSINE-atom5" order="1"/> <bond id="INOSINE-bond18" atomRefs="INOSINE-atom9 INOSINE-atom13" order="1"/> <bond id="INOSINE-bond19" atomRefs="INOSINE-atom8 INOSINE-atom10" order="2"/> <bond id="INOSINE-bond20" atomRefs="INOSINE-atom7 INOSINE-atom9" order="1"/> <bond id="INOSINE-bond21" atomRefs="INOSINE-atom6 INOSINE-atom17" order="1"/> <bond id="INOSINE-bond22" atomRefs="INOSINE-atom4 INOSINE-atom5" order="1"/> <bond id="INOSINE-bond23" atomRefs="INOSINE-atom3 INOSINE-atom9" order="1"/> <bond id="INOSINE-bond24" atomRefs="INOSINE-atom2 INOSINE-atom4" order="1"/> <bond id="INOSINE-bond25" atomRefs="INOSINE-atom1 INOSINE-atom16" order="A"/> <bond id="INOSINE-bond26" atomRefs="INOSINE-atom1 INOSINE-atom10" order="A"/> <formula concise="C 10 H 12 N 4 O 5" formalCharge="0"/> 268.229 C(O)[CH]1(O[CH]([CH](O)[CH]1O)n2(c3(c(nc2)c(=O)[nH]cn3)))
Orotidine-5'-phosphate pyrophosphorylase
<atom id="THYMIDINE-atom1" elementType="C" x2="-0.39928058" y2="-0.70863307"/> <atom id="THYMIDINE-atom2" elementType="N" x2="0.11151079" y2="0.58992803"/> <atom id="THYMIDINE-atom3" elementType="C" x2="0.11151079" y2="0.352518"/> <atom id="THYMIDINE-atom4" elementType="H" x2="-0.08273381" y2="0.6906475"/> <atom id="THYMIDINE-atom5" elementType="O" x2="-0.2769784" y2="-0.31654677"/> <atom id="THYMIDINE-atom6" elementType="C" x2="-0.4964029" y2="-0.4820144"/> <atom id="THYMIDINE-atom7" elementType="O" x2="-1.0" y2="-0.46402878"/> <atom id="THYMIDINE-atom8" elementType="C" x2="-0.73741007" y2="-0.33453238"/> <atom id="THYMIDINE-atom9" elementType="O" x2="-0.39928058" y2="-1.0"/> <atom id="THYMIDINE-atom10" elementType="C" x2="0.52517986" y2="0.352518"/> <atom id="THYMIDINE-atom11" elementType="C" x2="0.7877698" y2="0.7194245"/> <atom id="THYMIDINE-atom12" elementType="O" x2="0.32014388" y2="0.99640286"/> <atom id="THYMIDINE-atom13" elementType="O" x2="-0.1438849" y2="0.21582733"/> <atom id="THYMIDINE-atom14" elementType="C" x2="-0.14028777" y2="-0.70863307"/> <atom id="THYMIDINE-atom15" elementType="N" x2="0.32014388" y2="0.2410072"/> <atom id="THYMIDINE-atom16" elementType="C" x2="0.52517986" y2="0.58992803"/> <atom id="THYMIDINE-atom17" elementType="C" x2="0.32014388" y2="0.705036"/> <atom id="THYMIDINE-atom18" elementType="C" x2="-0.05755396" y2="-0.47122303"/> <bond id="THYMIDINE-bond1" atomRefs="THYMIDINE-atom18 THYMIDINE-atom15" order="1"/> <bond id="THYMIDINE-bond2" atomRefs="THYMIDINE-atom17 THYMIDINE-atom2" order="A"/> <bond id="THYMIDINE-bond3" atomRefs="THYMIDINE-atom16 THYMIDINE-atom17" order="A"/> <bond id="THYMIDINE-bond4" atomRefs="THYMIDINE-atom15 THYMIDINE-atom10" order="A"/> <bond id="THYMIDINE-bond5" atomRefs="THYMIDINE-atom14 THYMIDINE-atom18" order="1"/> <bond id="THYMIDINE-bond6" atomRefs="THYMIDINE-atom13 THYMIDINE-atom3" order="2"/> <bond id="THYMIDINE-bond7" atomRefs="THYMIDINE-atom12 THYMIDINE-atom17" order="2"/> <bond id="THYMIDINE-bond8" atomRefs="THYMIDINE-atom11 THYMIDINE-atom16" order="1"/> <bond id="THYMIDINE-bond9" atomRefs="THYMIDINE-atom10 THYMIDINE-atom16" order="A"/> <bond id="THYMIDINE-bond10" atomRefs="THYMIDINE-atom9 THYMIDINE-atom1" order="1"/> <bond id="THYMIDINE-bond11" atomRefs="THYMIDINE-atom8 THYMIDINE-atom6" order="1"/> <bond id="THYMIDINE-bond12" atomRefs="THYMIDINE-atom7 THYMIDINE-atom8" order="1"/> <bond id="THYMIDINE-bond13" atomRefs="THYMIDINE-atom6 THYMIDINE-atom5" order="1"/> <bond id="THYMIDINE-bond14" atomRefs="THYMIDINE-atom6 THYMIDINE-atom1" order="1"/> <bond id="THYMIDINE-bond15" atomRefs="THYMIDINE-atom5 THYMIDINE-atom18" order="1"/> <bond id="THYMIDINE-bond16" atomRefs="THYMIDINE-atom4 THYMIDINE-atom2" order="1"/> <bond id="THYMIDINE-bond17" atomRefs="THYMIDINE-atom3 THYMIDINE-atom15" order="A"/> <bond id="THYMIDINE-bond18" atomRefs="THYMIDINE-atom2 THYMIDINE-atom3" order="A"/> <bond id="THYMIDINE-bond19" atomRefs="THYMIDINE-atom1 THYMIDINE-atom14" order="1"/> <formula concise="C 10 H 14 N 2 O 5" formalCharge="0"/> 242.231 C(O)C1(OC(CC(O)1)n2(c(=O)[nH]c(=O)c(C)c2))
<atom id="THYMINE-atom1" elementType="H" x2="-0.07089555" y2="0.99626863"/> <atom id="THYMINE-atom2" elementType="C" x2="0.43283582" y2="0.37313426"/> <atom id="THYMINE-atom3" elementType="H" x2="0.68656707" y2="-0.31343287"/> <atom id="THYMINE-atom4" elementType="O" x2="-0.07089555" y2="-1.0"/> <atom id="THYMINE-atom5" elementType="C" x2="-0.57462686" y2="-0.14925373"/> <atom id="THYMINE-atom6" elementType="C" x2="-0.57462686" y2="0.37313426"/> <atom id="THYMINE-atom7" elementType="O" x2="0.8544775" y2="0.65671635"/> <atom id="THYMINE-atom8" elementType="N" x2="-0.07089555" y2="0.69029844"/> <atom id="THYMINE-atom9" elementType="N" x2="0.43283582" y2="-0.14925373"/> <atom id="THYMINE-atom10" elementType="C" x2="-1.0" y2="-0.42164183"/> <atom id="THYMINE-atom11" elementType="C" x2="-0.07089555" y2="-0.49253732"/> <bond id="THYMINE-bond1" atomRefs="THYMINE-atom11 THYMINE-atom9" order="A"/> <bond id="THYMINE-bond2" atomRefs="THYMINE-atom10 THYMINE-atom5" order="1"/> <bond id="THYMINE-bond3" atomRefs="THYMINE-atom9 THYMINE-atom2" order="A"/> <bond id="THYMINE-bond4" atomRefs="THYMINE-atom9 THYMINE-atom3" order="1"/> <bond id="THYMINE-bond5" atomRefs="THYMINE-atom8 THYMINE-atom6" order="A"/> <bond id="THYMINE-bond6" atomRefs="THYMINE-atom8 THYMINE-atom1" order="1"/> <bond id="THYMINE-bond7" atomRefs="THYMINE-atom7 THYMINE-atom2" order="2"/> <bond id="THYMINE-bond8" atomRefs="THYMINE-atom6 THYMINE-atom5" order="A"/> <bond id="THYMINE-bond9" atomRefs="THYMINE-atom5 THYMINE-atom11" order="A"/> <bond id="THYMINE-bond10" atomRefs="THYMINE-atom4 THYMINE-atom11" order="2"/> <bond id="THYMINE-bond11" atomRefs="THYMINE-atom2 THYMINE-atom8" order="A"/> <formula concise="C 5 H 6 N 2 O 2" formalCharge="0"/> 126.115 c1(c(C)c(=O)[nH]c(=O)[nH]1)
<atom id="SHIKIMATE-5P-atom1" elementType="O" x2="0.93698" y2="-0.66501"/> <atom id="SHIKIMATE-5P-atom2" elementType="C" x2="0.03151" y2="0.14096"/> <atom id="SHIKIMATE-5P-atom3" elementType="C" x2="0.38972" y2="-0.3267"/> <atom id="SHIKIMATE-5P-atom4" elementType="H" x2="0.03151" y2="-1.0"/> <atom id="SHIKIMATE-5P-atom5" elementType="C" x2="0.79768" y2="-0.3267"/> <atom id="SHIKIMATE-5P-atom6" elementType="H" x2="0.03151" y2="0.35987"/> <atom id="SHIKIMATE-5P-atom7" elementType="C" x2="-0.65506" y2="0.14096"/> <atom id="SHIKIMATE-5P-atom8" elementType="H" x2="-0.65506" y2="0.35987"/> <atom id="SHIKIMATE-5P-atom9" elementType="C" x2="-0.65506" y2="-0.78109"/> <atom id="SHIKIMATE-5P-atom10" elementType="O" x2="-0.42952" y2="0.02488"/> <atom id="SHIKIMATE-5P-atom11" elementType="H" x2="0.03151" y2="-0.56219"/> <atom id="SHIKIMATE-5P-atom12" elementType="O" x2="0.99668" y2="-0.02156"/> <atom id="SHIKIMATE-5P-atom13" elementType="O" x2="-0.65506" y2="-0.23383"/> <atom id="SHIKIMATE-5P-atom14" elementType="O" x2="-0.65506" y2="-0.56219"/> <atom id="SHIKIMATE-5P-atom15" elementType="C" x2="0.03151" y2="-0.78109"/> <atom id="SHIKIMATE-5P-atom16" elementType="H" x2="-1.0" y2="-0.10779"/> <atom id="SHIKIMATE-5P-atom17" elementType="O" x2="-1.0" y2="-0.54561"/> <atom id="SHIKIMATE-5P-atom18" elementType="O" x2="-0.42952" y2="-0.48259"/> <atom id="SHIKIMATE-5P-atom19" elementType="O" x2="-0.18408" y2="-0.23383"/> <atom id="SHIKIMATE-5P-atom20" elementType="C" x2="-1.0" y2="-0.3267"/> <atom id="SHIKIMATE-5P-atom21" elementType="P" x2="-0.42952" y2="-0.23383"/> <atom id="SHIKIMATE-5P-atom22" elementType="H" x2="-0.65506" y2="-1.0"/> <bond id="SHIKIMATE-5P-bond1" atomRefs="SHIKIMATE-5P-atom22 SHIKIMATE-5P-atom9" order="1"/> <bond id="SHIKIMATE-5P-bond2" atomRefs="SHIKIMATE-5P-atom21 SHIKIMATE-5P-atom13" order="1"/> <bond id="SHIKIMATE-5P-bond3" atomRefs="SHIKIMATE-5P-atom20 SHIKIMATE-5P-atom7" order="1"/> <bond id="SHIKIMATE-5P-bond4" atomRefs="SHIKIMATE-5P-atom20 SHIKIMATE-5P-atom9" order="1"/> <bond id="SHIKIMATE-5P-bond5" atomRefs="SHIKIMATE-5P-atom19 SHIKIMATE-5P-atom21" order="1"/> <bond id="SHIKIMATE-5P-bond6" atomRefs="SHIKIMATE-5P-atom18 SHIKIMATE-5P-atom21" order="1"/> <bond id="SHIKIMATE-5P-bond7" atomRefs="SHIKIMATE-5P-atom17 SHIKIMATE-5P-atom20" order="1"/> <bond id="SHIKIMATE-5P-bond8" atomRefs="SHIKIMATE-5P-atom16 SHIKIMATE-5P-atom20" order="1"/> <bond id="SHIKIMATE-5P-bond9" atomRefs="SHIKIMATE-5P-atom15 SHIKIMATE-5P-atom9" order="1"/> <bond id="SHIKIMATE-5P-bond10" atomRefs="SHIKIMATE-5P-atom14 SHIKIMATE-5P-atom9" order="1"/> <bond id="SHIKIMATE-5P-bond11" atomRefs="SHIKIMATE-5P-atom13 SHIKIMATE-5P-atom7" order="1"/> <bond id="SHIKIMATE-5P-bond12" atomRefs="SHIKIMATE-5P-atom12 SHIKIMATE-5P-atom5" order="2"/> <bond id="SHIKIMATE-5P-bond13" atomRefs="SHIKIMATE-5P-atom11 SHIKIMATE-5P-atom15" order="1"/> <bond id="SHIKIMATE-5P-bond14" atomRefs="SHIKIMATE-5P-atom10 SHIKIMATE-5P-atom21" order="2"/> <bond id="SHIKIMATE-5P-bond15" atomRefs="SHIKIMATE-5P-atom8 SHIKIMATE-5P-atom7" order="1"/> <bond id="SHIKIMATE-5P-bond16" atomRefs="SHIKIMATE-5P-atom6 SHIKIMATE-5P-atom2" order="1"/> <bond id="SHIKIMATE-5P-bond17" atomRefs="SHIKIMATE-5P-atom5 SHIKIMATE-5P-atom3" order="1"/> <bond id="SHIKIMATE-5P-bond18" atomRefs="SHIKIMATE-5P-atom4 SHIKIMATE-5P-atom15" order="1"/> <bond id="SHIKIMATE-5P-bond19" atomRefs="SHIKIMATE-5P-atom3 SHIKIMATE-5P-atom2" order="2"/> <bond id="SHIKIMATE-5P-bond20" atomRefs="SHIKIMATE-5P-atom3 SHIKIMATE-5P-atom15" order="1"/> <bond id="SHIKIMATE-5P-bond21" atomRefs="SHIKIMATE-5P-atom2 SHIKIMATE-5P-atom7" order="1"/> <bond id="SHIKIMATE-5P-bond22" atomRefs="SHIKIMATE-5P-atom1 SHIKIMATE-5P-atom5" order="1"/> <formula concise="C 7 H 11 O 8 P 1" formalCharge="0"/> 254.133 C(O)(=O)C1(=[CH][CH]([CH](O)[CH]([CH2]1)O)OP(O)(O)=O)
3-phosphoshikimate 1-carboxyvinyltransferase
5-enolpyruvylshikimate-3-phosphate synthase
3-enol-pyruvoylshikimate-5-phosphate synthase
Farnesyl-diphosphate farnesyltransferase
<atom id="GERANYLGERANYL-PP-atom1" elementType="C" x2="0.0" y2="-2.0958"/> <atom id="GERANYLGERANYL-PP-atom2" elementType="C" x2="1.2742" y2="0.0"/> <atom id="GERANYLGERANYL-PP-atom3" elementType="C" x2="5.876" y2="-0.2051"/> <atom id="GERANYLGERANYL-PP-atom4" elementType="C" x2="10.5202" y2="-0.2872"/> <atom id="GERANYLGERANYL-PP-atom5" elementType="C" x2="15.163" y2="-0.2872"/> <atom id="GERANYLGERANYL-PP-atom6" elementType="O" x2="23.3823" y2="-0.8627"/> <atom id="GERANYLGERANYL-PP-atom7" elementType="O" x2="20.4237" y2="-0.8627"/> <atom id="GERANYLGERANYL-PP-atom8" elementType="O" x2="24.8205" y2="-2.3009"/> <atom id="GERANYLGERANYL-PP-atom9" elementType="O" x2="23.3823" y2="-3.7392"/> <atom id="GERANYLGERANYL-PP-atom10" elementType="O" x2="20.4237" y2="-3.7392"/> <atom id="GERANYLGERANYL-PP-atom11" elementType="C" x2="2.424" y2="-2.1779"/> <atom id="GERANYLGERANYL-PP-atom12" elementType="C" x2="6.9861" y2="-2.3009"/> <atom id="GERANYLGERANYL-PP-atom13" elementType="C" x2="11.67" y2="-2.383"/> <atom id="GERANYLGERANYL-PP-atom14" elementType="C" x2="16.3141" y2="-2.383"/> <atom id="GERANYLGERANYL-PP-atom15" elementType="C" x2="3.5751" y2="-1.5613"/> <atom id="GERANYLGERANYL-PP-atom16" elementType="C" x2="8.177" y2="-1.6433"/> <atom id="GERANYLGERANYL-PP-atom17" elementType="C" x2="12.8621" y2="-1.7254"/> <atom id="GERANYLGERANYL-PP-atom18" elementType="C" x2="17.5062" y2="-1.6023"/> <atom id="GERANYLGERANYL-PP-atom19" elementType="C" x2="4.6852" y2="-2.2599"/> <atom id="GERANYLGERANYL-PP-atom20" elementType="C" x2="9.328" y2="-2.383"/> <atom id="GERANYLGERANYL-PP-atom21" elementType="C" x2="13.9722" y2="-2.383"/> <atom id="GERANYLGERANYL-PP-atom22" elementType="O" x2="19.0265" y2="-2.3009"/> <atom id="GERANYLGERANYL-PP-atom23" elementType="O" x2="21.7389" y2="-2.3009"/> <atom id="GERANYLGERANYL-PP-atom24" elementType="C" x2="1.2742" y2="-1.4382"/> <atom id="GERANYLGERANYL-PP-atom25" elementType="C" x2="5.876" y2="-1.6433"/> <atom id="GERANYLGERANYL-PP-atom26" elementType="C" x2="10.5202" y2="-1.7254"/> <atom id="GERANYLGERANYL-PP-atom27" elementType="C" x2="15.163" y2="-1.7254"/> <atom id="GERANYLGERANYL-PP-atom28" elementType="P" x2="23.3823" y2="-2.3009"/> <atom id="GERANYLGERANYL-PP-atom29" elementType="P" x2="20.4237" y2="-2.3009"/> <bond id="GERANYLGERANYL-PP-bond1" atomRefs="GERANYLGERANYL-PP-atom23 GERANYLGERANYL-PP-atom29" order="1"/> <bond id="GERANYLGERANYL-PP-bond2" atomRefs="GERANYLGERANYL-PP-atom23 GERANYLGERANYL-PP-atom28" order="1"/> <bond id="GERANYLGERANYL-PP-bond3" atomRefs="GERANYLGERANYL-PP-atom22 GERANYLGERANYL-PP-atom29" order="1"/> <bond id="GERANYLGERANYL-PP-bond4" atomRefs="GERANYLGERANYL-PP-atom21 GERANYLGERANYL-PP-atom27" order="1"/> <bond id="GERANYLGERANYL-PP-bond5" atomRefs="GERANYLGERANYL-PP-atom20 GERANYLGERANYL-PP-atom26" order="1"/> <bond id="GERANYLGERANYL-PP-bond6" atomRefs="GERANYLGERANYL-PP-atom19 GERANYLGERANYL-PP-atom25" order="1"/> <bond id="GERANYLGERANYL-PP-bond7" atomRefs="GERANYLGERANYL-PP-atom18 GERANYLGERANYL-PP-atom22" order="1"/> <bond id="GERANYLGERANYL-PP-bond8" atomRefs="GERANYLGERANYL-PP-atom17 GERANYLGERANYL-PP-atom21" order="1"/> <bond id="GERANYLGERANYL-PP-bond9" atomRefs="GERANYLGERANYL-PP-atom16 GERANYLGERANYL-PP-atom20" order="1"/> <bond id="GERANYLGERANYL-PP-bond10" atomRefs="GERANYLGERANYL-PP-atom15 GERANYLGERANYL-PP-atom19" order="1"/> <bond id="GERANYLGERANYL-PP-bond11" atomRefs="GERANYLGERANYL-PP-atom14 GERANYLGERANYL-PP-atom27" order="2"/> <bond id="GERANYLGERANYL-PP-bond12" atomRefs="GERANYLGERANYL-PP-atom14 GERANYLGERANYL-PP-atom18" order="1"/> <bond id="GERANYLGERANYL-PP-bond13" atomRefs="GERANYLGERANYL-PP-atom13 GERANYLGERANYL-PP-atom26" order="2"/> <bond id="GERANYLGERANYL-PP-bond14" atomRefs="GERANYLGERANYL-PP-atom13 GERANYLGERANYL-PP-atom17" order="1"/> <bond id="GERANYLGERANYL-PP-bond15" atomRefs="GERANYLGERANYL-PP-atom12 GERANYLGERANYL-PP-atom25" order="2"/> <bond id="GERANYLGERANYL-PP-bond16" atomRefs="GERANYLGERANYL-PP-atom12 GERANYLGERANYL-PP-atom16" order="1"/> <bond id="GERANYLGERANYL-PP-bond17" atomRefs="GERANYLGERANYL-PP-atom11 GERANYLGERANYL-PP-atom24" order="2"/> <bond id="GERANYLGERANYL-PP-bond18" atomRefs="GERANYLGERANYL-PP-atom11 GERANYLGERANYL-PP-atom15" order="1"/> <bond id="GERANYLGERANYL-PP-bond19" atomRefs="GERANYLGERANYL-PP-atom10 GERANYLGERANYL-PP-atom29" order="1"/> <bond id="GERANYLGERANYL-PP-bond20" atomRefs="GERANYLGERANYL-PP-atom9 GERANYLGERANYL-PP-atom28" order="1"/> <bond id="GERANYLGERANYL-PP-bond21" atomRefs="GERANYLGERANYL-PP-atom8 GERANYLGERANYL-PP-atom28" order="1"/> <bond id="GERANYLGERANYL-PP-bond22" atomRefs="GERANYLGERANYL-PP-atom7 GERANYLGERANYL-PP-atom29" order="2"/> <bond id="GERANYLGERANYL-PP-bond23" atomRefs="GERANYLGERANYL-PP-atom6 GERANYLGERANYL-PP-atom28" order="2"/> <bond id="GERANYLGERANYL-PP-bond24" atomRefs="GERANYLGERANYL-PP-atom5 GERANYLGERANYL-PP-atom27" order="1"/> <bond id="GERANYLGERANYL-PP-bond25" atomRefs="GERANYLGERANYL-PP-atom4 GERANYLGERANYL-PP-atom26" order="1"/> <bond id="GERANYLGERANYL-PP-bond26" atomRefs="GERANYLGERANYL-PP-atom3 GERANYLGERANYL-PP-atom25" order="1"/> <bond id="GERANYLGERANYL-PP-bond27" atomRefs="GERANYLGERANYL-PP-atom2 GERANYLGERANYL-PP-atom24" order="1"/> <bond id="GERANYLGERANYL-PP-bond28" atomRefs="GERANYLGERANYL-PP-atom1 GERANYLGERANYL-PP-atom24" order="1"/> <formula concise="C 20 H 36 O 7 P 2" formalCharge="0"/> 450.448 CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)(O)OP(O)(O)=O
<atom id="HYDROXYMETHYLBILANE-atom1" elementType="C" x2="1.7047" y2="-0.0239"/> <atom id="HYDROXYMETHYLBILANE-atom2" elementType="C" x2="0.8399" y2="0.9929"/> <atom id="HYDROXYMETHYLBILANE-atom3" elementType="C" x2="1.6028" y2="1.307"/> <atom id="HYDROXYMETHYLBILANE-atom4" elementType="C" x2="2.1372" y2="0.6786"/> <atom id="HYDROXYMETHYLBILANE-atom5" elementType="C" x2="-1.903" y2="0.7977"/> <atom id="HYDROXYMETHYLBILANE-atom6" elementType="C" x2="-1.3324" y2="1.3935"/> <atom id="HYDROXYMETHYLBILANE-atom7" elementType="C" x2="-0.5894" y2="1.035"/> <atom id="HYDROXYMETHYLBILANE-atom8" elementType="C" x2="-1.5126" y2="0.0709"/> <atom id="HYDROXYMETHYLBILANE-atom9" elementType="C" x2="0.1374" y2="1.4254"/> <atom id="HYDROXYMETHYLBILANE-atom10" elementType="C" x2="-1.5462" y2="-1.4915"/> <atom id="HYDROXYMETHYLBILANE-atom11" elementType="C" x2="-0.6655" y2="-2.4945"/> <atom id="HYDROXYMETHYLBILANE-atom12" elementType="C" x2="-1.4233" y2="-2.8206"/> <atom id="HYDROXYMETHYLBILANE-atom13" elementType="C" x2="-1.9676" y2="-2.2008"/> <atom id="HYDROXYMETHYLBILANE-atom14" elementType="C" x2="2.074" y2="-2.2559"/> <atom id="HYDROXYMETHYLBILANE-atom15" elementType="C" x2="1.5129" y2="-2.8607"/> <atom id="HYDROXYMETHYLBILANE-atom16" elementType="C" x2="0.7643" y2="-2.514"/> <atom id="HYDROXYMETHYLBILANE-atom17" elementType="C" x2="1.6721" y2="-1.5354"/> <atom id="HYDROXYMETHYLBILANE-atom18" elementType="C" x2="0.0438" y2="-2.9159"/> <atom id="HYDROXYMETHYLBILANE-atom19" elementType="C" x2="2.0188" y2="-0.7868"/> <atom id="HYDROXYMETHYLBILANE-atom20" elementType="C" x2="2.8931" y2="-2.3543"/> <atom id="HYDROXYMETHYLBILANE-atom21" elementType="C" x2="-1.6048" y2="-3.6254"/> <atom id="HYDROXYMETHYLBILANE-atom22" elementType="C" x2="-1.4791" y2="2.2054"/> <atom id="HYDROXYMETHYLBILANE-atom23" elementType="C" x2="-2.2555" y2="2.4843"/> <atom id="HYDROXYMETHYLBILANE-atom24" elementType="C" x2="-2.4022" y2="3.2961"/> <atom id="HYDROXYMETHYLBILANE-atom25" elementType="C" x2="1.797" y2="2.1088"/> <atom id="HYDROXYMETHYLBILANE-atom26" elementType="C" x2="2.5886" y2="2.3415"/> <atom id="HYDROXYMETHYLBILANE-atom27" elementType="C" x2="2.7828" y2="3.1433"/> <atom id="HYDROXYMETHYLBILANE-atom28" elementType="N" x2="-0.7007" y2="0.2176"/> <atom id="HYDROXYMETHYLBILANE-atom29" elementType="N" x2="-0.7415" y2="-1.6731"/> <atom id="HYDROXYMETHYLBILANE-atom30" elementType="N" x2="0.8627" y2="-1.6949"/> <atom id="HYDROXYMETHYLBILANE-atom31" elementType="N" x2="0.9029" y2="0.1704"/> <atom id="HYDROXYMETHYLBILANE-atom32" elementType="O" x2="-1.7725" y2="3.8291"/> <atom id="HYDROXYMETHYLBILANE-atom33" elementType="O" x2="-3.1787" y2="3.575"/> <atom id="HYDROXYMETHYLBILANE-atom34" elementType="O" x2="2.1856" y2="3.7124"/> <atom id="HYDROXYMETHYLBILANE-atom35" elementType="O" x2="3.5743" y2="3.3759"/> <atom id="HYDROXYMETHYLBILANE-atom36" elementType="C" x2="3.2174" y2="-3.1129"/> <atom id="HYDROXYMETHYLBILANE-atom37" elementType="C" x2="-2.4298" y2="-3.6254"/> <atom id="HYDROXYMETHYLBILANE-atom38" elementType="C" x2="-2.8423" y2="-4.3399"/> <atom id="HYDROXYMETHYLBILANE-atom39" elementType="C" x2="4.0365" y2="-3.2113"/> <atom id="HYDROXYMETHYLBILANE-atom40" elementType="C" x2="1.6724" y2="-3.6702"/> <atom id="HYDROXYMETHYLBILANE-atom41" elementType="C" x2="2.4531" y2="-3.9368"/> <atom id="HYDROXYMETHYLBILANE-atom42" elementType="C" x2="-2.7204" y2="0.909"/> <atom id="HYDROXYMETHYLBILANE-atom43" elementType="C" x2="-2.7891" y2="-2.2768"/> <atom id="HYDROXYMETHYLBILANE-atom44" elementType="C" x2="-3.134" y2="-3.0262"/> <atom id="HYDROXYMETHYLBILANE-atom45" elementType="O" x2="-2.6575" y2="-3.6997"/> <atom id="HYDROXYMETHYLBILANE-atom46" elementType="O" x2="-3.9555" y2="-3.1022"/> <atom id="HYDROXYMETHYLBILANE-atom47" elementType="O" x2="-2.4298" y2="-5.0543"/> <atom id="HYDROXYMETHYLBILANE-atom48" elementType="O" x2="-3.6673" y2="-4.3399"/> <atom id="HYDROXYMETHYLBILANE-atom49" elementType="O" x2="2.6126" y2="-4.7462"/> <atom id="HYDROXYMETHYLBILANE-atom50" elementType="O" x2="3.0744" y2="-3.394"/> <atom id="HYDROXYMETHYLBILANE-atom51" elementType="O" x2="4.3608" y2="-3.9699"/> <atom id="HYDROXYMETHYLBILANE-atom52" elementType="O" x2="4.5313" y2="-2.5512"/> <atom id="HYDROXYMETHYLBILANE-atom53" elementType="C" x2="2.9598" y2="0.7416"/> <atom id="HYDROXYMETHYLBILANE-atom54" elementType="C" x2="3.3165" y2="1.4855"/> <atom id="HYDROXYMETHYLBILANE-atom55" elementType="O" x2="2.8507" y2="2.1664"/> <atom id="HYDROXYMETHYLBILANE-atom56" elementType="O" x2="4.1391" y2="1.5485"/> <atom id="HYDROXYMETHYLBILANE-atom57" elementType="C" x2="-3.0327" y2="1.6726"/> <atom id="HYDROXYMETHYLBILANE-atom58" elementType="O" x2="-3.8502" y2="1.7839"/> <atom id="HYDROXYMETHYLBILANE-atom59" elementType="O" x2="-2.5276" y2="2.3249"/> <atom id="HYDROXYMETHYLBILANE-atom60" elementType="C" x2="-1.8711" y2="-0.6722"/> <atom id="HYDROXYMETHYLBILANE-atom61" elementType="O" x2="-2.6873" y2="-0.5521"/> <bond id="HYDROXYMETHYLBILANE-bond1" atomRefs="HYDROXYMETHYLBILANE-atom60 HYDROXYMETHYLBILANE-atom61" order="1"/> <bond id="HYDROXYMETHYLBILANE-bond2" atomRefs="HYDROXYMETHYLBILANE-atom57 HYDROXYMETHYLBILANE-atom58" order="2"/> <bond id="HYDROXYMETHYLBILANE-bond3" atomRefs="HYDROXYMETHYLBILANE-atom57 HYDROXYMETHYLBILANE-atom59" order="1"/> <bond id="HYDROXYMETHYLBILANE-bond4" atomRefs="HYDROXYMETHYLBILANE-atom42 HYDROXYMETHYLBILANE-atom57" order="1"/> <bond id="HYDROXYMETHYLBILANE-bond5" atomRefs="HYDROXYMETHYLBILANE-atom54 HYDROXYMETHYLBILANE-atom55" order="1"/> <bond id="HYDROXYMETHYLBILANE-bond6" atomRefs="HYDROXYMETHYLBILANE-atom54 HYDROXYMETHYLBILANE-atom56" order="2"/> <bond id="HYDROXYMETHYLBILANE-bond7" atomRefs="HYDROXYMETHYLBILANE-atom53 HYDROXYMETHYLBILANE-atom54" order="1"/> <bond id="HYDROXYMETHYLBILANE-bond8" atomRefs="HYDROXYMETHYLBILANE-atom44 HYDROXYMETHYLBILANE-atom45" order="1"/> <bond id="HYDROXYMETHYLBILANE-bond9" atomRefs="HYDROXYMETHYLBILANE-atom44 HYDROXYMETHYLBILANE-atom46" order="2"/> <bond id="HYDROXYMETHYLBILANE-bond10" atomRefs="HYDROXYMETHYLBILANE-atom43 HYDROXYMETHYLBILANE-atom44" order="1"/> <bond id="HYDROXYMETHYLBILANE-bond11" atomRefs="HYDROXYMETHYLBILANE-atom41 HYDROXYMETHYLBILANE-atom49" order="2"/> <bond id="HYDROXYMETHYLBILANE-bond12" atomRefs="HYDROXYMETHYLBILANE-atom41 HYDROXYMETHYLBILANE-atom50" order="1"/> <bond id="HYDROXYMETHYLBILANE-bond13" atomRefs="HYDROXYMETHYLBILANE-atom40 HYDROXYMETHYLBILANE-atom41" order="1"/> <bond id="HYDROXYMETHYLBILANE-bond14" atomRefs="HYDROXYMETHYLBILANE-atom39 HYDROXYMETHYLBILANE-atom52" order="1"/> <bond id="HYDROXYMETHYLBILANE-bond15" atomRefs="HYDROXYMETHYLBILANE-atom39 HYDROXYMETHYLBILANE-atom51" order="2"/> <bond id="HYDROXYMETHYLBILANE-bond16" atomRefs="HYDROXYMETHYLBILANE-atom38 HYDROXYMETHYLBILANE-atom47" order="2"/> <bond id="HYDROXYMETHYLBILANE-bond17" atomRefs="HYDROXYMETHYLBILANE-atom38 HYDROXYMETHYLBILANE-atom48" order="1"/> <bond id="HYDROXYMETHYLBILANE-bond18" atomRefs="HYDROXYMETHYLBILANE-atom37 HYDROXYMETHYLBILANE-atom38" order="1"/> <bond id="HYDROXYMETHYLBILANE-bond19" atomRefs="HYDROXYMETHYLBILANE-atom36 HYDROXYMETHYLBILANE-atom39" order="1"/> <bond id="HYDROXYMETHYLBILANE-bond20" atomRefs="HYDROXYMETHYLBILANE-atom27 HYDROXYMETHYLBILANE-atom34" order="2"/> <bond id="HYDROXYMETHYLBILANE-bond21" atomRefs="HYDROXYMETHYLBILANE-atom27 HYDROXYMETHYLBILANE-atom35" order="1"/> <bond id="HYDROXYMETHYLBILANE-bond22" atomRefs="HYDROXYMETHYLBILANE-atom26 HYDROXYMETHYLBILANE-atom27" order="1"/> <bond id="HYDROXYMETHYLBILANE-bond23" atomRefs="HYDROXYMETHYLBILANE-atom25 HYDROXYMETHYLBILANE-atom26" order="1"/> <bond id="HYDROXYMETHYLBILANE-bond24" atomRefs="HYDROXYMETHYLBILANE-atom24 HYDROXYMETHYLBILANE-atom33" order="1"/> <bond id="HYDROXYMETHYLBILANE-bond25" atomRefs="HYDROXYMETHYLBILANE-atom24 HYDROXYMETHYLBILANE-atom32" order="2"/> <bond id="HYDROXYMETHYLBILANE-bond26" atomRefs="HYDROXYMETHYLBILANE-atom23 HYDROXYMETHYLBILANE-atom24" order="1"/> <bond id="HYDROXYMETHYLBILANE-bond27" atomRefs="HYDROXYMETHYLBILANE-atom22 HYDROXYMETHYLBILANE-atom23" order="1"/> <bond id="HYDROXYMETHYLBILANE-bond28" atomRefs="HYDROXYMETHYLBILANE-atom6 HYDROXYMETHYLBILANE-atom22" order="1"/> <bond id="HYDROXYMETHYLBILANE-bond29" atomRefs="HYDROXYMETHYLBILANE-atom5 HYDROXYMETHYLBILANE-atom42" order="1"/> <bond id="HYDROXYMETHYLBILANE-bond30" atomRefs="HYDROXYMETHYLBILANE-atom13 HYDROXYMETHYLBILANE-atom43" order="1"/> <bond id="HYDROXYMETHYLBILANE-bond31" atomRefs="HYDROXYMETHYLBILANE-atom21 HYDROXYMETHYLBILANE-atom37" order="1"/> <bond id="HYDROXYMETHYLBILANE-bond32" atomRefs="HYDROXYMETHYLBILANE-atom12 HYDROXYMETHYLBILANE-atom21" order="1"/> <bond id="HYDROXYMETHYLBILANE-bond33" atomRefs="HYDROXYMETHYLBILANE-atom15 HYDROXYMETHYLBILANE-atom40" order="1"/> <bond id="HYDROXYMETHYLBILANE-bond34" atomRefs="HYDROXYMETHYLBILANE-atom20 HYDROXYMETHYLBILANE-atom36" order="1"/> <bond id="HYDROXYMETHYLBILANE-bond35" atomRefs="HYDROXYMETHYLBILANE-atom14 HYDROXYMETHYLBILANE-atom20" order="1"/> <bond id="HYDROXYMETHYLBILANE-bond36" atomRefs="HYDROXYMETHYLBILANE-atom4 HYDROXYMETHYLBILANE-atom53" order="1"/> <bond id="HYDROXYMETHYLBILANE-bond37" atomRefs="HYDROXYMETHYLBILANE-atom3 HYDROXYMETHYLBILANE-atom25" order="1"/> <bond id="HYDROXYMETHYLBILANE-bond38" atomRefs="HYDROXYMETHYLBILANE-atom17 HYDROXYMETHYLBILANE-atom19" order="1"/> <bond id="HYDROXYMETHYLBILANE-bond39" atomRefs="HYDROXYMETHYLBILANE-atom17 HYDROXYMETHYLBILANE-atom30" order="A"/> <bond id="HYDROXYMETHYLBILANE-bond40" atomRefs="HYDROXYMETHYLBILANE-atom16 HYDROXYMETHYLBILANE-atom18" order="1"/> <bond id="HYDROXYMETHYLBILANE-bond41" atomRefs="HYDROXYMETHYLBILANE-atom30 HYDROXYMETHYLBILANE-atom16" order="A"/> <bond id="HYDROXYMETHYLBILANE-bond42" atomRefs="HYDROXYMETHYLBILANE-atom16 HYDROXYMETHYLBILANE-atom15" order="A"/> <bond id="HYDROXYMETHYLBILANE-bond43" atomRefs="HYDROXYMETHYLBILANE-atom14 HYDROXYMETHYLBILANE-atom17" order="A"/> <bond id="HYDROXYMETHYLBILANE-bond44" atomRefs="HYDROXYMETHYLBILANE-atom15 HYDROXYMETHYLBILANE-atom14" order="A"/> <bond id="HYDROXYMETHYLBILANE-bond45" atomRefs="HYDROXYMETHYLBILANE-atom13 HYDROXYMETHYLBILANE-atom12" order="A"/> <bond id="HYDROXYMETHYLBILANE-bond46" atomRefs="HYDROXYMETHYLBILANE-atom11 HYDROXYMETHYLBILANE-atom18" order="1"/> <bond id="HYDROXYMETHYLBILANE-bond47" atomRefs="HYDROXYMETHYLBILANE-atom12 HYDROXYMETHYLBILANE-atom11" order="A"/> <bond id="HYDROXYMETHYLBILANE-bond48" atomRefs="HYDROXYMETHYLBILANE-atom11 HYDROXYMETHYLBILANE-atom29" order="A"/> <bond id="HYDROXYMETHYLBILANE-bond49" atomRefs="HYDROXYMETHYLBILANE-atom10 HYDROXYMETHYLBILANE-atom60" order="1"/> <bond id="HYDROXYMETHYLBILANE-bond50" atomRefs="HYDROXYMETHYLBILANE-atom10 HYDROXYMETHYLBILANE-atom13" order="A"/> <bond id="HYDROXYMETHYLBILANE-bond51" atomRefs="HYDROXYMETHYLBILANE-atom29 HYDROXYMETHYLBILANE-atom10" order="A"/> <bond id="HYDROXYMETHYLBILANE-bond52" atomRefs="HYDROXYMETHYLBILANE-atom1 HYDROXYMETHYLBILANE-atom19" order="1"/> <bond id="HYDROXYMETHYLBILANE-bond53" atomRefs="HYDROXYMETHYLBILANE-atom28 HYDROXYMETHYLBILANE-atom8" order="A"/> <bond id="HYDROXYMETHYLBILANE-bond54" atomRefs="HYDROXYMETHYLBILANE-atom7 HYDROXYMETHYLBILANE-atom9" order="1"/> <bond id="HYDROXYMETHYLBILANE-bond55" atomRefs="HYDROXYMETHYLBILANE-atom7 HYDROXYMETHYLBILANE-atom28" order="A"/> <bond id="HYDROXYMETHYLBILANE-bond56" atomRefs="HYDROXYMETHYLBILANE-atom6 HYDROXYMETHYLBILANE-atom7" order="A"/> <bond id="HYDROXYMETHYLBILANE-bond57" atomRefs="HYDROXYMETHYLBILANE-atom8 HYDROXYMETHYLBILANE-atom5" order="A"/> <bond id="HYDROXYMETHYLBILANE-bond58" atomRefs="HYDROXYMETHYLBILANE-atom5 HYDROXYMETHYLBILANE-atom6" order="A"/> <bond id="HYDROXYMETHYLBILANE-bond59" atomRefs="HYDROXYMETHYLBILANE-atom2 HYDROXYMETHYLBILANE-atom9" order="1"/> <bond id="HYDROXYMETHYLBILANE-bond60" atomRefs="HYDROXYMETHYLBILANE-atom3 HYDROXYMETHYLBILANE-atom4" order="A"/> <bond id="HYDROXYMETHYLBILANE-bond61" atomRefs="HYDROXYMETHYLBILANE-atom2 HYDROXYMETHYLBILANE-atom3" order="A"/> <bond id="HYDROXYMETHYLBILANE-bond62" atomRefs="HYDROXYMETHYLBILANE-atom31 HYDROXYMETHYLBILANE-atom2" order="A"/> <bond id="HYDROXYMETHYLBILANE-bond63" atomRefs="HYDROXYMETHYLBILANE-atom4 HYDROXYMETHYLBILANE-atom1" order="A"/> <bond id="HYDROXYMETHYLBILANE-bond64" atomRefs="HYDROXYMETHYLBILANE-atom1 HYDROXYMETHYLBILANE-atom31" order="A"/> <formula concise="C 40 H 42 N 4 O 17" formalCharge="0"/> 854.82 c1(nc(c(CCC(O)=O)c1CC(=O)O)Cc2(nc(c(CC(O)=O)c2CCC(=O)O)Cc3(nc(c(CC(=O)O)c3CCC(O)=O)Cc4(c(CCC(=O)O)c(CC(O)=O)c(n4)CO))))
L-KYNURENINE/α-AMINOADIPATE AMINOTRANSFERASE
<atom id="B-ALANINE-atom1" elementType="C" x2="0.49664" y2="-0.70805"/> <atom id="B-ALANINE-atom2" elementType="C" x2="-0.5" y2="-0.70805"/> <atom id="B-ALANINE-atom3" elementType="O" x2="0.99664" y2="-0.98658"/> <atom id="B-ALANINE-atom4" elementType="C" x2="-0.00671" y2="-1.0"/> <atom id="B-ALANINE-atom5" elementType="O" x2="0.49664" y2="-0.13423"/> <atom id="B-ALANINE-atom6" elementType="N" x2="-1.0" y2="-0.99329"/> <bond id="B-ALANINE-bond1" atomRefs="B-ALANINE-atom6 B-ALANINE-atom2" order="1"/> <bond id="B-ALANINE-bond2" atomRefs="B-ALANINE-atom5 B-ALANINE-atom1" order="2"/> <bond id="B-ALANINE-bond3" atomRefs="B-ALANINE-atom4 B-ALANINE-atom1" order="1"/> <bond id="B-ALANINE-bond4" atomRefs="B-ALANINE-atom3 B-ALANINE-atom1" order="1"/> <bond id="B-ALANINE-bond5" atomRefs="B-ALANINE-atom2 B-ALANINE-atom4" order="1"/> <formula concise="C 3 H 7 N 1 O 2" formalCharge="0"/> 89.094 C(O)(=O)CCN
<atom id="PYRIDOXAMINE-atom1" elementType="C" x2="-0.025510252" y2="-0.71428573"/> <atom id="PYRIDOXAMINE-atom2" elementType="N" x2="-0.020408154" y2="0.99489796"/> <atom id="PYRIDOXAMINE-atom3" elementType="N" x2="0.46428573" y2="-1.0"/> <atom id="PYRIDOXAMINE-atom4" elementType="C" x2="0.4744898" y2="0.70408165"/> <atom id="PYRIDOXAMINE-atom5" elementType="O" x2="-1.0" y2="-0.71428573"/> <atom id="PYRIDOXAMINE-atom6" elementType="O" x2="0.96428573" y2="-0.15306127"/> <atom id="PYRIDOXAMINE-atom7" elementType="C" x2="-1.0" y2="-0.14795917"/> <atom id="PYRIDOXAMINE-atom8" elementType="C" x2="0.4744898" y2="0.132653"/> <atom id="PYRIDOXAMINE-atom9" elementType="C" x2="0.96428573" y2="0.9897959"/> <atom id="PYRIDOXAMINE-atom10" elementType="C" x2="-0.020408154" y2="-0.14795917"/> <atom id="PYRIDOXAMINE-atom11" elementType="C" x2="-0.5102041" y2="0.132653"/> <atom id="PYRIDOXAMINE-atom12" elementType="C" x2="-0.5102041" y2="0.70408165"/> <bond id="PYRIDOXAMINE-bond1" atomRefs="PYRIDOXAMINE-atom12 PYRIDOXAMINE-atom11" order="A"/> <bond id="PYRIDOXAMINE-bond2" atomRefs="PYRIDOXAMINE-atom11 PYRIDOXAMINE-atom10" order="A"/> <bond id="PYRIDOXAMINE-bond3" atomRefs="PYRIDOXAMINE-atom11 PYRIDOXAMINE-atom7" order="1"/> <bond id="PYRIDOXAMINE-bond4" atomRefs="PYRIDOXAMINE-atom10 PYRIDOXAMINE-atom8" order="A"/> <bond id="PYRIDOXAMINE-bond5" atomRefs="PYRIDOXAMINE-atom10 PYRIDOXAMINE-atom1" order="1"/> <bond id="PYRIDOXAMINE-bond6" atomRefs="PYRIDOXAMINE-atom8 PYRIDOXAMINE-atom4" order="A"/> <bond id="PYRIDOXAMINE-bond7" atomRefs="PYRIDOXAMINE-atom8 PYRIDOXAMINE-atom6" order="1"/> <bond id="PYRIDOXAMINE-bond8" atomRefs="PYRIDOXAMINE-atom7 PYRIDOXAMINE-atom5" order="1"/> <bond id="PYRIDOXAMINE-bond9" atomRefs="PYRIDOXAMINE-atom4 PYRIDOXAMINE-atom2" order="A"/> <bond id="PYRIDOXAMINE-bond10" atomRefs="PYRIDOXAMINE-atom4 PYRIDOXAMINE-atom9" order="1"/> <bond id="PYRIDOXAMINE-bond11" atomRefs="PYRIDOXAMINE-atom2 PYRIDOXAMINE-atom12" order="A"/> <bond id="PYRIDOXAMINE-bond12" atomRefs="PYRIDOXAMINE-atom1 PYRIDOXAMINE-atom3" order="1"/> <formula concise="C 8 H 12 N 2 O 2" formalCharge="0"/> 168.195 C(N)c1(c(CO)cnc(C)c1O)
<atom id="D-4-HYDROXY-2-KETO-GLUTARATE-atom1" elementType="O" x2="-0.33113" y2="-0.0298"/> <atom id="D-4-HYDROXY-2-KETO-GLUTARATE-atom2" elementType="O" x2="-1.0" y2="-0.41391"/> <atom id="D-4-HYDROXY-2-KETO-GLUTARATE-atom3" elementType="C" x2="-0.33113" y2="-0.41722"/> <atom id="D-4-HYDROXY-2-KETO-GLUTARATE-atom4" elementType="O" x2="-0.66556" y2="-1.0"/> <atom id="D-4-HYDROXY-2-KETO-GLUTARATE-atom5" elementType="C" x2="0.66556" y2="-0.61258"/> <atom id="D-4-HYDROXY-2-KETO-GLUTARATE-atom6" elementType="C" x2="0.0" y2="-0.61258"/> <atom id="D-4-HYDROXY-2-KETO-GLUTARATE-atom7" elementType="O" x2="0.99669" y2="-0.41722"/> <atom id="D-4-HYDROXY-2-KETO-GLUTARATE-atom8" elementType="O" x2="0.66556" y2="-1.0"/> <atom id="D-4-HYDROXY-2-KETO-GLUTARATE-atom9" elementType="C" x2="-0.66556" y2="-0.61258"/> <atom id="D-4-HYDROXY-2-KETO-GLUTARATE-atom10" elementType="O" x2="0.33444" y2="-0.0298"/> <atom id="D-4-HYDROXY-2-KETO-GLUTARATE-atom11" elementType="C" x2="0.33444" y2="-0.41722"/> <bond id="D-4-HYDROXY-2-KETO-GLUTARATE-bond1" atomRefs="D-4-HYDROXY-2-KETO-GLUTARATE-atom11 D-4-HYDROXY-2-KETO-GLUTARATE-atom6" order="1"/> <bond id="D-4-HYDROXY-2-KETO-GLUTARATE-bond2" atomRefs="D-4-HYDROXY-2-KETO-GLUTARATE-atom10 D-4-HYDROXY-2-KETO-GLUTARATE-atom11" order="1"/> <bond id="D-4-HYDROXY-2-KETO-GLUTARATE-bond3" atomRefs="D-4-HYDROXY-2-KETO-GLUTARATE-atom9 D-4-HYDROXY-2-KETO-GLUTARATE-atom3" order="1"/> <bond id="D-4-HYDROXY-2-KETO-GLUTARATE-bond4" atomRefs="D-4-HYDROXY-2-KETO-GLUTARATE-atom8 D-4-HYDROXY-2-KETO-GLUTARATE-atom5" order="2"/> <bond id="D-4-HYDROXY-2-KETO-GLUTARATE-bond5" atomRefs="D-4-HYDROXY-2-KETO-GLUTARATE-atom7 D-4-HYDROXY-2-KETO-GLUTARATE-atom5" order="1"/> <bond id="D-4-HYDROXY-2-KETO-GLUTARATE-bond6" atomRefs="D-4-HYDROXY-2-KETO-GLUTARATE-atom6 D-4-HYDROXY-2-KETO-GLUTARATE-atom3" order="1"/> <bond id="D-4-HYDROXY-2-KETO-GLUTARATE-bond7" atomRefs="D-4-HYDROXY-2-KETO-GLUTARATE-atom5 D-4-HYDROXY-2-KETO-GLUTARATE-atom11" order="1"/> <bond id="D-4-HYDROXY-2-KETO-GLUTARATE-bond8" atomRefs="D-4-HYDROXY-2-KETO-GLUTARATE-atom4 D-4-HYDROXY-2-KETO-GLUTARATE-atom9" order="2"/> <bond id="D-4-HYDROXY-2-KETO-GLUTARATE-bond9" atomRefs="D-4-HYDROXY-2-KETO-GLUTARATE-atom2 D-4-HYDROXY-2-KETO-GLUTARATE-atom9" order="1"/> <bond id="D-4-HYDROXY-2-KETO-GLUTARATE-bond10" atomRefs="D-4-HYDROXY-2-KETO-GLUTARATE-atom1 D-4-HYDROXY-2-KETO-GLUTARATE-atom3" order="2"/> <formula concise="C 5 H 6 O 6" formalCharge="0"/> 162.099 C(O)(=O)C(O)CC(=O)C(=O)O (+/-)-2-hydroxy-4-oxopentanedioic acid
<atom id="ILE-atom1" elementType="C" x2="0.99668" y2="-0.68491"/> <atom id="ILE-atom2" elementType="C" x2="-0.8209" y2="-0.82421"/> <atom id="ILE-atom3" elementType="C" x2="-0.51907" y2="0.3267"/> <atom id="ILE-atom4" elementType="C" x2="0.33002" y2="-0.50912"/> <atom id="ILE-atom5" elementType="N" x2="0.62852" y2="0.64179"/> <atom id="ILE-atom6" elementType="C" x2="0.1476" y2="0.15091"/> <atom id="ILE-atom7" elementType="C" x2="-0.15423" y2="-1.0"/> <atom id="ILE-atom8" elementType="O" x2="-1.0" y2="-0.16418"/> <atom id="ILE-atom9" elementType="O" x2="-0.70481" y2="0.99005"/> <bond id="ILE-bond1" atomRefs="ILE-atom9 ILE-atom3" order="1"/> <bond id="ILE-bond2" atomRefs="ILE-atom8 ILE-atom3" order="2"/> <bond id="ILE-bond3" atomRefs="ILE-atom7 ILE-atom4" order="1"/> <bond id="ILE-bond4" atomRefs="ILE-atom6 ILE-atom3" order="1"/> <bond id="ILE-bond5" atomRefs="ILE-atom5 ILE-atom6" order="1"/> <bond id="ILE-bond6" atomRefs="ILE-atom4 ILE-atom6" order="1"/> <bond id="ILE-bond7" atomRefs="ILE-atom2 ILE-atom7" order="1"/> <bond id="ILE-bond8" atomRefs="ILE-atom1 ILE-atom4" order="1"/> <formula concise="C 6 H 13 N 1 O 2" formalCharge="0"/> 131.174 CC(CC)C(N)C(O)=O
Branched-chain amino acid aminotransferase
<atom id="LEU-atom1" elementType="C" x2="-1.0" y2="-0.54591"/> <atom id="LEU-atom2" elementType="C" x2="-0.61269" y2="0.11519"/> <atom id="LEU-atom3" elementType="C" x2="0.61269" y2="-0.55593"/> <atom id="LEU-atom4" elementType="O" x2="0.99666" y2="-0.33222"/> <atom id="LEU-atom5" elementType="C" x2="-0.20534" y2="-0.55593"/> <atom id="LEU-atom6" elementType="C" x2="0.19199" y2="-0.32888"/> <atom id="LEU-atom7" elementType="C" x2="-0.61269" y2="-0.32888"/> <atom id="LEU-atom8" elementType="O" x2="0.61269" y2="-1.0"/> <atom id="LEU-atom9" elementType="N" x2="0.19199" y2="0.11519"/> <bond id="LEU-bond1" atomRefs="LEU-atom9 LEU-atom6" order="1"/> <bond id="LEU-bond2" atomRefs="LEU-atom8 LEU-atom3" order="2"/> <bond id="LEU-bond3" atomRefs="LEU-atom7 LEU-atom5" order="1"/> <bond id="LEU-bond4" atomRefs="LEU-atom6 LEU-atom3" order="1"/> <bond id="LEU-bond5" atomRefs="LEU-atom5 LEU-atom6" order="1"/> <bond id="LEU-bond6" atomRefs="LEU-atom4 LEU-atom3" order="1"/> <bond id="LEU-bond7" atomRefs="LEU-atom2 LEU-atom7" order="1"/> <bond id="LEU-bond8" atomRefs="LEU-atom1 LEU-atom7" order="1"/> <formula concise="C 6 H 13 N 1 O 2" formalCharge="0"/> 131.174 CC(C)CC(N)C(=O)O
(2S)-α-2-amino-4-methylvaleric acid
<atom id="VAL-atom1" elementType="C" x2="-0.6677" y2="-1.4849"/> <atom id="VAL-atom2" elementType="C" x2="0.7231" y2="-0.7477"/> <atom id="VAL-atom3" elementType="C" x2="-0.675" y2="-0.7652"/> <atom id="VAL-atom4" elementType="N" x2="0.0" y2="0.3469"/> <atom id="VAL-atom5" elementType="C" x2="0.0" y2="-0.477"/> <atom id="VAL-atom6" elementType="C" x2="-1.3969" y2="-0.3902"/> <atom id="VAL-atom7" elementType="O" x2="0.7201" y2="-1.5343"/> <atom id="VAL-atom8" elementType="O" x2="1.4582" y2="-0.4239"/> <bond id="VAL-bond1" atomRefs="VAL-atom1 VAL-atom3" order="1"/> <bond id="VAL-bond2" atomRefs="VAL-atom2 VAL-atom5" order="1"/> <bond id="VAL-bond3" atomRefs="VAL-atom3 VAL-atom5" order="1"/> <bond id="VAL-bond4" atomRefs="VAL-atom5 VAL-atom4" order="1"/> <bond id="VAL-bond5" atomRefs="VAL-atom6 VAL-atom3" order="1"/> <bond id="VAL-bond6" atomRefs="VAL-atom7 VAL-atom2" order="2"/> <bond id="VAL-bond7" atomRefs="VAL-atom8 VAL-atom2" order="1"/> <formula concise="C 5 H 11 N 1 O 2" formalCharge="0"/> 117.147 CC(C)C(N)C(=O)O
Adenosylmethionine--8-amino-7-oxononanoate aminotransferase
<atom id="S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-atom1" elementType="C" x2="4.6333" y2="2.8542"/> <atom id="S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-atom2" elementType="C" x2="3.9838" y2="2.4792"/> <atom id="S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-atom3" elementType="C" x2="3.3343" y2="2.8542"/> <atom id="S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-atom4" elementType="C" x2="2.6848" y2="2.4792"/> <atom id="S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-atom5" elementType="O" x2="2.0366" y2="2.8563"/> <atom id="S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-atom6" elementType="O" x2="2.6873" y2="1.7291"/> <atom id="S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-atom7" elementType="O" x2="3.3343" y2="3.6042"/> <atom id="S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-atom8" elementType="S" x2="5.2829" y2="2.4792" formalCharge="1"/> <atom id="S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-atom9" elementType="C" x2="5.2829" y2="1.7292"/> <atom id="S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-atom10" elementType="C" x2="7.5333" y2="3.9209"/> <atom id="S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-atom11" elementType="C" x2="7.7651" y2="3.2034"/> <atom id="S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-atom12" elementType="O" x2="7.1541" y2="2.7667"/> <atom id="S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-atom13" elementType="C" x2="6.5516" y2="3.2034"/> <atom id="S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-atom14" elementType="C" x2="6.7791" y2="3.9209"/> <atom id="S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-atom15" elementType="C" x2="5.8393" y2="2.9687"/> <atom id="S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-atom16" elementType="O" x2="6.3362" y2="4.5261"/> <atom id="S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-atom17" elementType="O" x2="7.9746" y2="4.5273"/> <atom id="S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-atom18" elementType="N" x2="6.3458" y2="1.075"/> <atom id="S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-atom19" elementType="C" x2="6.3458" y2="1.8333"/> <atom id="S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-atom20" elementType="N" x2="6.9954" y2="2.2167"/> <atom id="S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-atom21" elementType="C" x2="6.9954" y2="0.7"/> <atom id="S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-atom22" elementType="C" x2="7.6532" y2="1.075"/> <atom id="S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-atom23" elementType="C" x2="7.6532" y2="1.8333"/> <atom id="S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-atom24" elementType="N" x2="8.373" y2="2.0624"/> <atom id="S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-atom25" elementType="C" x2="8.8146" y2="1.4581"/> <atom id="S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-atom26" elementType="N" x2="8.375" y2="0.8418"/> <atom id="S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-atom27" elementType="N" x2="6.9933" y2="-0.05"/> <bond id="S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-bond1" atomRefs="S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-atom21 S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-atom27" order="1"/> <bond id="S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-bond2" atomRefs="S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-atom26 S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-atom22" order="A"/> <bond id="S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-bond3" atomRefs="S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-atom25 S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-atom26" order="A"/> <bond id="S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-bond4" atomRefs="S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-atom24 S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-atom25" order="A"/> <bond id="S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-bond5" atomRefs="S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-atom23 S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-atom24" order="A"/> <bond id="S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-bond6" atomRefs="S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-atom22 S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-atom23" order="A"/> <bond id="S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-bond7" atomRefs="S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-atom21 S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-atom22" order="A"/> <bond id="S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-bond8" atomRefs="S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-atom23 S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-atom20" order="A"/> <bond id="S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-bond9" atomRefs="S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-atom20 S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-atom19" order="A"/> <bond id="S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-bond10" atomRefs="S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-atom19 S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-atom18" order="A"/> <bond id="S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-bond11" atomRefs="S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-atom18 S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-atom21" order="A"/> <bond id="S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-bond12" atomRefs="S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-atom15 S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-atom8" order="1"/> <bond id="S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-bond13" atomRefs="S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-atom10 S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-atom17" order="1"/> <bond id="S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-bond14" atomRefs="S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-atom14 S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-atom16" order="1"/> <bond id="S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-bond15" atomRefs="S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-atom11 S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-atom24" order="1"/> <bond id="S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-bond16" atomRefs="S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-atom13 S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-atom15" order="1"/> <bond id="S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-bond17" atomRefs="S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-atom14 S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-atom10" order="1"/> <bond id="S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-bond18" atomRefs="S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-atom13 S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-atom14" order="1"/> <bond id="S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-bond19" atomRefs="S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-atom12 S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-atom13" order="1"/> <bond id="S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-bond20" atomRefs="S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-atom11 S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-atom12" order="1"/> <bond id="S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-bond21" atomRefs="S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-atom10 S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-atom11" order="1"/> <bond id="S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-bond22" atomRefs="S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-atom8 S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-atom9" order="1"/> <bond id="S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-bond23" atomRefs="S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-atom1 S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-atom8" order="1"/> <bond id="S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-bond24" atomRefs="S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-atom3 S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-atom7" order="2"/> <bond id="S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-bond25" atomRefs="S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-atom3 S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-atom4" order="1"/> <bond id="S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-bond26" atomRefs="S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-atom4 S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-atom6" order="2"/> <bond id="S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-bond27" atomRefs="S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-atom4 S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-atom5" order="1"/> <bond id="S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-bond28" atomRefs="S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-atom2 S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-atom3" order="1"/> <bond id="S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-bond29" atomRefs="S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-atom1 S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE-atom2" order="1"/> <formula concise="C 15 H 20 N 5 O 6 S 1" formalCharge="0"/> 398.413 C(CC(=O)C(=O)O)[S+](C)CC1(OC(C(O)C(O)1)n2(c3(c(nc2)c(N)ncn3)))
<atom id="DIAMINONONANOATE-atom1" elementType="C" x2="1.5699" y2="2.1208"/> <atom id="DIAMINONONANOATE-atom2" elementType="C" x2="1.5699" y2="2.8708"/> <atom id="DIAMINONONANOATE-atom3" elementType="C" x2="2.2194" y2="1.7458"/> <atom id="DIAMINONONANOATE-atom4" elementType="C" x2="2.8689" y2="2.1208"/> <atom id="DIAMINONONANOATE-atom5" elementType="C" x2="3.5184" y2="1.7458"/> <atom id="DIAMINONONANOATE-atom6" elementType="C" x2="4.1679" y2="2.1208"/> <atom id="DIAMINONONANOATE-atom7" elementType="C" x2="4.8175" y2="1.7458"/> <atom id="DIAMINONONANOATE-atom8" elementType="C" x2="5.467" y2="2.1208"/> <atom id="DIAMINONONANOATE-atom9" elementType="C" x2="6.1165" y2="1.7458"/> <atom id="DIAMINONONANOATE-atom10" elementType="O" x2="6.7647" y2="2.1229"/> <atom id="DIAMINONONANOATE-atom11" elementType="O" x2="6.114" y2="0.9957"/> <atom id="DIAMINONONANOATE-atom12" elementType="N" x2="2.2194" y2="0.9958"/> <atom id="DIAMINONONANOATE-atom13" elementType="N" x2="0.9204" y2="1.7458"/> <bond id="DIAMINONONANOATE-bond1" atomRefs="DIAMINONONANOATE-atom1 DIAMINONONANOATE-atom13" order="1"/> <bond id="DIAMINONONANOATE-bond2" atomRefs="DIAMINONONANOATE-atom3 DIAMINONONANOATE-atom12" order="1"/> <bond id="DIAMINONONANOATE-bond3" atomRefs="DIAMINONONANOATE-atom8 DIAMINONONANOATE-atom9" order="1"/> <bond id="DIAMINONONANOATE-bond4" atomRefs="DIAMINONONANOATE-atom9 DIAMINONONANOATE-atom11" order="2"/> <bond id="DIAMINONONANOATE-bond5" atomRefs="DIAMINONONANOATE-atom9 DIAMINONONANOATE-atom10" order="1"/> <bond id="DIAMINONONANOATE-bond6" atomRefs="DIAMINONONANOATE-atom7 DIAMINONONANOATE-atom8" order="1"/> <bond id="DIAMINONONANOATE-bond7" atomRefs="DIAMINONONANOATE-atom6 DIAMINONONANOATE-atom7" order="1"/> <bond id="DIAMINONONANOATE-bond8" atomRefs="DIAMINONONANOATE-atom5 DIAMINONONANOATE-atom6" order="1"/> <bond id="DIAMINONONANOATE-bond9" atomRefs="DIAMINONONANOATE-atom4 DIAMINONONANOATE-atom5" order="1"/> <bond id="DIAMINONONANOATE-bond10" atomRefs="DIAMINONONANOATE-atom3 DIAMINONONANOATE-atom4" order="1"/> <bond id="DIAMINONONANOATE-bond11" atomRefs="DIAMINONONANOATE-atom1 DIAMINONONANOATE-atom3" order="1"/> <bond id="DIAMINONONANOATE-bond12" atomRefs="DIAMINONONANOATE-atom1 DIAMINONONANOATE-atom2" order="1"/> <formula concise="C 9 H 20 N 2 O 2" formalCharge="0"/> 188.269 CC(N)C(N)CCCCCC(=O)O
7,8-diamino-pelargonic acid aminotransferase
β-alanine--oxoglutarate aminotransferase
<atom id="IMIDAZOLE-ACETOL-P-atom1" elementType="C" x2="0.55714285" y2="-0.38857144"/> <atom id="IMIDAZOLE-ACETOL-P-atom2" elementType="C" x2="0.99714285" y2="-0.5371429"/> <atom id="IMIDAZOLE-ACETOL-P-atom3" elementType="O" x2="-0.73714286" y2="-1.0"/> <atom id="IMIDAZOLE-ACETOL-P-atom4" elementType="C" x2="0.105714284" y2="-0.6457143"/> <atom id="IMIDAZOLE-ACETOL-P-atom5" elementType="P" x2="-0.73714286" y2="-0.73714286"/> <atom id="IMIDAZOLE-ACETOL-P-atom6" elementType="O" x2="-0.73714286" y2="-0.47428572"/> <atom id="IMIDAZOLE-ACETOL-P-atom7" elementType="O" x2="0.105714284" y2="-0.38285714"/> <atom id="IMIDAZOLE-ACETOL-P-atom8" elementType="N" x2="0.80285716" y2="-0.28857142"/> <atom id="IMIDAZOLE-ACETOL-P-atom9" elementType="C" x2="0.55714285" y2="-0.6628571"/> <atom id="IMIDAZOLE-ACETOL-P-atom10" elementType="C" x2="0.3257143" y2="-0.7542857"/> <atom id="IMIDAZOLE-ACETOL-P-atom11" elementType="C" x2="-0.14571428" y2="-0.73714286"/> <atom id="IMIDAZOLE-ACETOL-P-atom12" elementType="H" x2="0.80285716" y2="-0.017142856"/> <atom id="IMIDAZOLE-ACETOL-P-atom13" elementType="O" x2="-1.0" y2="-0.73714286"/> <atom id="IMIDAZOLE-ACETOL-P-atom14" elementType="N" x2="0.81142855" y2="-0.79714286"/> <atom id="IMIDAZOLE-ACETOL-P-atom15" elementType="O" x2="-0.48857144" y2="-0.73714286"/> <bond id="IMIDAZOLE-ACETOL-P-bond1" atomRefs="IMIDAZOLE-ACETOL-P-atom15 IMIDAZOLE-ACETOL-P-atom5" order="1"/> <bond id="IMIDAZOLE-ACETOL-P-bond2" atomRefs="IMIDAZOLE-ACETOL-P-atom14 IMIDAZOLE-ACETOL-P-atom9" order="A"/> <bond id="IMIDAZOLE-ACETOL-P-bond3" atomRefs="IMIDAZOLE-ACETOL-P-atom13 IMIDAZOLE-ACETOL-P-atom5" order="1"/> <bond id="IMIDAZOLE-ACETOL-P-bond4" atomRefs="IMIDAZOLE-ACETOL-P-atom12 IMIDAZOLE-ACETOL-P-atom8" order="1"/> <bond id="IMIDAZOLE-ACETOL-P-bond5" atomRefs="IMIDAZOLE-ACETOL-P-atom11 IMIDAZOLE-ACETOL-P-atom15" order="1"/> <bond id="IMIDAZOLE-ACETOL-P-bond6" atomRefs="IMIDAZOLE-ACETOL-P-atom10 IMIDAZOLE-ACETOL-P-atom4" order="1"/> <bond id="IMIDAZOLE-ACETOL-P-bond7" atomRefs="IMIDAZOLE-ACETOL-P-atom9 IMIDAZOLE-ACETOL-P-atom10" order="1"/> <bond id="IMIDAZOLE-ACETOL-P-bond8" atomRefs="IMIDAZOLE-ACETOL-P-atom9 IMIDAZOLE-ACETOL-P-atom1" order="A"/> <bond id="IMIDAZOLE-ACETOL-P-bond9" atomRefs="IMIDAZOLE-ACETOL-P-atom8 IMIDAZOLE-ACETOL-P-atom2" order="A"/> <bond id="IMIDAZOLE-ACETOL-P-bond10" atomRefs="IMIDAZOLE-ACETOL-P-atom7 IMIDAZOLE-ACETOL-P-atom4" order="2"/> <bond id="IMIDAZOLE-ACETOL-P-bond11" atomRefs="IMIDAZOLE-ACETOL-P-atom6 IMIDAZOLE-ACETOL-P-atom5" order="2"/> <bond id="IMIDAZOLE-ACETOL-P-bond12" atomRefs="IMIDAZOLE-ACETOL-P-atom4 IMIDAZOLE-ACETOL-P-atom11" order="1"/> <bond id="IMIDAZOLE-ACETOL-P-bond13" atomRefs="IMIDAZOLE-ACETOL-P-atom3 IMIDAZOLE-ACETOL-P-atom5" order="1"/> <bond id="IMIDAZOLE-ACETOL-P-bond14" atomRefs="IMIDAZOLE-ACETOL-P-atom2 IMIDAZOLE-ACETOL-P-atom14" order="A"/> <bond id="IMIDAZOLE-ACETOL-P-bond15" atomRefs="IMIDAZOLE-ACETOL-P-atom1 IMIDAZOLE-ACETOL-P-atom8" order="A"/> <formula concise="C 6 H 9 N 2 O 5 P 1" formalCharge="0"/> 220.121 c1(c(nc[nH]1)CC(=O)COP(=O)(O)O)
<atom id="L-HISTIDINOL-P-atom1" elementType="C" x2="0.55714285" y2="-0.38857144"/> <atom id="L-HISTIDINOL-P-atom2" elementType="C" x2="0.99714285" y2="-0.5371429"/> <atom id="L-HISTIDINOL-P-atom3" elementType="N" x2="0.81142855" y2="-0.79714286"/> <atom id="L-HISTIDINOL-P-atom4" elementType="C" x2="-0.14571428" y2="-0.73714286"/> <atom id="L-HISTIDINOL-P-atom5" elementType="P" x2="-0.73714286" y2="-0.73714286"/> <atom id="L-HISTIDINOL-P-atom6" elementType="O" x2="-0.73714286" y2="-0.47428572"/> <atom id="L-HISTIDINOL-P-atom7" elementType="N" x2="0.105714284" y2="-0.38285714"/> <atom id="L-HISTIDINOL-P-atom8" elementType="N" x2="0.80285716" y2="-0.28857142"/> <atom id="L-HISTIDINOL-P-atom9" elementType="O" x2="-0.48857144" y2="-0.73714286"/> <atom id="L-HISTIDINOL-P-atom10" elementType="C" x2="0.3257143" y2="-0.7542857"/> <atom id="L-HISTIDINOL-P-atom11" elementType="O" x2="-0.73714286" y2="-1.0"/> <atom id="L-HISTIDINOL-P-atom12" elementType="O" x2="-1.0" y2="-0.73714286"/> <atom id="L-HISTIDINOL-P-atom13" elementType="C" x2="0.105714284" y2="-0.6457143"/> <atom id="L-HISTIDINOL-P-atom14" elementType="C" x2="0.55714285" y2="-0.6628571"/> <atom id="L-HISTIDINOL-P-atom15" elementType="H" x2="0.8057143" y2="-0.054285713"/> <bond id="L-HISTIDINOL-P-bond1" atomRefs="L-HISTIDINOL-P-atom15 L-HISTIDINOL-P-atom8" order="1"/> <bond id="L-HISTIDINOL-P-bond2" atomRefs="L-HISTIDINOL-P-atom14 L-HISTIDINOL-P-atom3" order="A"/> <bond id="L-HISTIDINOL-P-bond3" atomRefs="L-HISTIDINOL-P-atom14 L-HISTIDINOL-P-atom10" order="1"/> <bond id="L-HISTIDINOL-P-bond4" atomRefs="L-HISTIDINOL-P-atom13 L-HISTIDINOL-P-atom4" order="1"/> <bond id="L-HISTIDINOL-P-bond5" atomRefs="L-HISTIDINOL-P-atom12 L-HISTIDINOL-P-atom5" order="1"/> <bond id="L-HISTIDINOL-P-bond6" atomRefs="L-HISTIDINOL-P-atom11 L-HISTIDINOL-P-atom5" order="1"/> <bond id="L-HISTIDINOL-P-bond7" atomRefs="L-HISTIDINOL-P-atom10 L-HISTIDINOL-P-atom13" order="1"/> <bond id="L-HISTIDINOL-P-bond8" atomRefs="L-HISTIDINOL-P-atom9 L-HISTIDINOL-P-atom5" order="1"/> <bond id="L-HISTIDINOL-P-bond9" atomRefs="L-HISTIDINOL-P-atom8 L-HISTIDINOL-P-atom1" order="A"/> <bond id="L-HISTIDINOL-P-bond10" atomRefs="L-HISTIDINOL-P-atom7 L-HISTIDINOL-P-atom13" order="1"/> <bond id="L-HISTIDINOL-P-bond11" atomRefs="L-HISTIDINOL-P-atom6 L-HISTIDINOL-P-atom5" order="2"/> <bond id="L-HISTIDINOL-P-bond12" atomRefs="L-HISTIDINOL-P-atom4 L-HISTIDINOL-P-atom9" order="1"/> <bond id="L-HISTIDINOL-P-bond13" atomRefs="L-HISTIDINOL-P-atom3 L-HISTIDINOL-P-atom2" order="A"/> <bond id="L-HISTIDINOL-P-bond14" atomRefs="L-HISTIDINOL-P-atom2 L-HISTIDINOL-P-atom8" order="A"/> <bond id="L-HISTIDINOL-P-bond15" atomRefs="L-HISTIDINOL-P-atom1 L-HISTIDINOL-P-atom14" order="A"/> <formula concise="C 6 H 12 N 3 O 4 P 1" formalCharge="0"/> 221.152 c1(c(nc[nH]1)CC(N)COP(O)(O)=O)
Imidazolylacetolphosphate aminotransferase
Glucosamine--fructose-6-phosphate aminotransferase (isomerizing)
L-glutamine-d-fructose-6-phosphate amidotransferase
Glucosamine-6-phosphate isomerase (glutamine-forming)
<atom id="n-succinylll-2,6-diaminopimelate-atom1" elementType="O" x2="0.6907" y2="-3.4337"/> <atom id="n-succinylll-2,6-diaminopimelate-atom2" elementType="O" x2="0.0" y2="-2.2188"/> <atom id="n-succinylll-2,6-diaminopimelate-atom3" elementType="C" x2="0.6907" y2="-2.619"/> <atom id="n-succinylll-2,6-diaminopimelate-atom4" elementType="C" x2="1.3947" y2="-2.2188"/> <atom id="n-succinylll-2,6-diaminopimelate-atom5" elementType="C" x2="3.8485" y2="-0.654"/> <atom id="n-succinylll-2,6-diaminopimelate-atom6" elementType="C" x2="4.2904" y2="0.0426"/> <atom id="n-succinylll-2,6-diaminopimelate-atom7" elementType="C" x2="3.9081" y2="0.7737"/> <atom id="n-succinylll-2,6-diaminopimelate-atom8" elementType="C" x2="4.3501" y2="1.4703"/> <atom id="n-succinylll-2,6-diaminopimelate-atom9" elementType="O" x2="5.1744" y2="1.4359"/> <atom id="n-succinylll-2,6-diaminopimelate-atom10" elementType="O" x2="3.9678" y2="2.2014"/> <atom id="n-succinylll-2,6-diaminopimelate-atom11" elementType="O" x2="3.0242" y2="-0.6195"/> <atom id="n-succinylll-2,6-diaminopimelate-atom12" elementType="N" x2="4.2308" y2="-1.3851"/> <atom id="n-succinylll-2,6-diaminopimelate-atom13" elementType="C" x2="2.0853" y2="-2.619"/> <atom id="n-succinylll-2,6-diaminopimelate-atom14" elementType="C" x2="2.8005" y2="-2.2077"/> <atom id="n-succinylll-2,6-diaminopimelate-atom15" elementType="C" x2="3.5143" y2="-2.6214"/> <atom id="n-succinylll-2,6-diaminopimelate-atom16" elementType="C" x2="4.2294" y2="-2.21"/> <atom id="n-succinylll-2,6-diaminopimelate-atom17" elementType="C" x2="4.9432" y2="-2.6237"/> <atom id="n-succinylll-2,6-diaminopimelate-atom18" elementType="O" x2="4.9419" y2="-3.4487"/> <atom id="n-succinylll-2,6-diaminopimelate-atom19" elementType="O" x2="5.6584" y2="-2.2124"/> <atom id="n-succinylll-2,6-diaminopimelate-atom20" elementType="N" x2="1.4043" y2="-1.3939"/> <bond id="n-succinylll-2,6-diaminopimelate-bond1" atomRefs="n-succinylll-2,6-diaminopimelate-atom16 n-succinylll-2,6-diaminopimelate-atom12" order="1"/> <bond id="n-succinylll-2,6-diaminopimelate-bond2" atomRefs="n-succinylll-2,6-diaminopimelate-atom17 n-succinylll-2,6-diaminopimelate-atom18" order="2"/> <bond id="n-succinylll-2,6-diaminopimelate-bond3" atomRefs="n-succinylll-2,6-diaminopimelate-atom17 n-succinylll-2,6-diaminopimelate-atom19" order="1"/> <bond id="n-succinylll-2,6-diaminopimelate-bond4" atomRefs="n-succinylll-2,6-diaminopimelate-atom16 n-succinylll-2,6-diaminopimelate-atom17" order="1"/> <bond id="n-succinylll-2,6-diaminopimelate-bond5" atomRefs="n-succinylll-2,6-diaminopimelate-atom15 n-succinylll-2,6-diaminopimelate-atom16" order="1"/> <bond id="n-succinylll-2,6-diaminopimelate-bond6" atomRefs="n-succinylll-2,6-diaminopimelate-atom14 n-succinylll-2,6-diaminopimelate-atom15" order="1"/> <bond id="n-succinylll-2,6-diaminopimelate-bond7" atomRefs="n-succinylll-2,6-diaminopimelate-atom13 n-succinylll-2,6-diaminopimelate-atom14" order="1"/> <bond id="n-succinylll-2,6-diaminopimelate-bond8" atomRefs="n-succinylll-2,6-diaminopimelate-atom5 n-succinylll-2,6-diaminopimelate-atom11" order="2"/> <bond id="n-succinylll-2,6-diaminopimelate-bond9" atomRefs="n-succinylll-2,6-diaminopimelate-atom8 n-succinylll-2,6-diaminopimelate-atom9" order="2"/> <bond id="n-succinylll-2,6-diaminopimelate-bond10" atomRefs="n-succinylll-2,6-diaminopimelate-atom8 n-succinylll-2,6-diaminopimelate-atom10" order="1"/> <bond id="n-succinylll-2,6-diaminopimelate-bond11" atomRefs="n-succinylll-2,6-diaminopimelate-atom7 n-succinylll-2,6-diaminopimelate-atom8" order="1"/> <bond id="n-succinylll-2,6-diaminopimelate-bond12" atomRefs="n-succinylll-2,6-diaminopimelate-atom6 n-succinylll-2,6-diaminopimelate-atom7" order="1"/> <bond id="n-succinylll-2,6-diaminopimelate-bond13" atomRefs="n-succinylll-2,6-diaminopimelate-atom5 n-succinylll-2,6-diaminopimelate-atom12" order="1"/> <bond id="n-succinylll-2,6-diaminopimelate-bond14" atomRefs="n-succinylll-2,6-diaminopimelate-atom5 n-succinylll-2,6-diaminopimelate-atom6" order="1"/> <bond id="n-succinylll-2,6-diaminopimelate-bond15" atomRefs="n-succinylll-2,6-diaminopimelate-atom1 n-succinylll-2,6-diaminopimelate-atom3" order="2"/> <bond id="n-succinylll-2,6-diaminopimelate-bond16" atomRefs="n-succinylll-2,6-diaminopimelate-atom20 n-succinylll-2,6-diaminopimelate-atom4" order="1"/> <bond id="n-succinylll-2,6-diaminopimelate-bond17" atomRefs="n-succinylll-2,6-diaminopimelate-atom2 n-succinylll-2,6-diaminopimelate-atom3" order="1"/> <bond id="n-succinylll-2,6-diaminopimelate-bond18" atomRefs="n-succinylll-2,6-diaminopimelate-atom13 n-succinylll-2,6-diaminopimelate-atom4" order="1"/> <bond id="n-succinylll-2,6-diaminopimelate-bond19" atomRefs="n-succinylll-2,6-diaminopimelate-atom3 n-succinylll-2,6-diaminopimelate-atom4" order="1"/> <formula concise="C 11 H 18 N 2 O 7" formalCharge="0"/> 290.272 C(O)(=O)C(N)CCCC(C(=O)O)NC(=O)CCC(=O)O
Succinyldiaminopimelate aminotransferase
<atom id="INDOLE_PYRUVATE-atom1" elementType="C" x2="0.7421204" y2="0.5100286"/> <atom id="INDOLE_PYRUVATE-atom2" elementType="H" x2="-0.3209169" y2="1.0"/> <atom id="INDOLE_PYRUVATE-atom3" elementType="C" x2="-0.5444126" y2="0.37822348"/> <atom id="INDOLE_PYRUVATE-atom4" elementType="C" x2="-0.09742117" y2="0.37822348"/> <atom id="INDOLE_PYRUVATE-atom5" elementType="C" x2="-0.77363896" y2="0.24928361"/> <atom id="INDOLE_PYRUVATE-atom6" elementType="O" x2="0.5100287" y2="0.094555855"/> <atom id="INDOLE_PYRUVATE-atom7" elementType="C" x2="-0.5444126" y2="0.63610315"/> <atom id="INDOLE_PYRUVATE-atom8" elementType="C" x2="-0.77363896" y2="0.76504296"/> <atom id="INDOLE_PYRUVATE-atom9" elementType="O" x2="0.9971347" y2="0.37822348"/> <atom id="INDOLE_PYRUVATE-atom10" elementType="C" x2="0.5100287" y2="0.3810888"/> <atom id="INDOLE_PYRUVATE-atom11" elementType="C" x2="0.24641836" y2="0.5386819"/> <atom id="INDOLE_PYRUVATE-atom12" elementType="C" x2="-1.0" y2="0.63610315"/> <atom id="INDOLE_PYRUVATE-atom13" elementType="O" x2="0.7421204" y2="0.7994269"/> <atom id="INDOLE_PYRUVATE-atom14" elementType="C" x2="-0.09742117" y2="0.63610315"/> <atom id="INDOLE_PYRUVATE-atom15" elementType="N" x2="-0.3209169" y2="0.76504296"/> <atom id="INDOLE_PYRUVATE-atom16" elementType="C" x2="-1.0" y2="0.37822348"/> <bond id="INDOLE_PYRUVATE-bond1" atomRefs="INDOLE_PYRUVATE-atom16 INDOLE_PYRUVATE-atom12" order="A"/> <bond id="INDOLE_PYRUVATE-bond2" atomRefs="INDOLE_PYRUVATE-atom15 INDOLE_PYRUVATE-atom2" order="1"/> <bond id="INDOLE_PYRUVATE-bond3" atomRefs="INDOLE_PYRUVATE-atom15 INDOLE_PYRUVATE-atom14" order="A"/> <bond id="INDOLE_PYRUVATE-bond4" atomRefs="INDOLE_PYRUVATE-atom14 INDOLE_PYRUVATE-atom4" order="A"/> <bond id="INDOLE_PYRUVATE-bond5" atomRefs="INDOLE_PYRUVATE-atom13 INDOLE_PYRUVATE-atom1" order="2"/> <bond id="INDOLE_PYRUVATE-bond6" atomRefs="INDOLE_PYRUVATE-atom12 INDOLE_PYRUVATE-atom8" order="A"/> <bond id="INDOLE_PYRUVATE-bond7" atomRefs="INDOLE_PYRUVATE-atom11 INDOLE_PYRUVATE-atom4" order="1"/> <bond id="INDOLE_PYRUVATE-bond8" atomRefs="INDOLE_PYRUVATE-atom10 INDOLE_PYRUVATE-atom11" order="1"/> <bond id="INDOLE_PYRUVATE-bond9" atomRefs="INDOLE_PYRUVATE-atom9 INDOLE_PYRUVATE-atom1" order="1"/> <bond id="INDOLE_PYRUVATE-bond10" atomRefs="INDOLE_PYRUVATE-atom8 INDOLE_PYRUVATE-atom7" order="A"/> <bond id="INDOLE_PYRUVATE-bond11" atomRefs="INDOLE_PYRUVATE-atom7 INDOLE_PYRUVATE-atom15" order="A"/> <bond id="INDOLE_PYRUVATE-bond12" atomRefs="INDOLE_PYRUVATE-atom7 INDOLE_PYRUVATE-atom3" order="A"/> <bond id="INDOLE_PYRUVATE-bond13" atomRefs="INDOLE_PYRUVATE-atom6 INDOLE_PYRUVATE-atom10" order="2"/> <bond id="INDOLE_PYRUVATE-bond14" atomRefs="INDOLE_PYRUVATE-atom5 INDOLE_PYRUVATE-atom16" order="A"/> <bond id="INDOLE_PYRUVATE-bond15" atomRefs="INDOLE_PYRUVATE-atom4 INDOLE_PYRUVATE-atom3" order="A"/> <bond id="INDOLE_PYRUVATE-bond16" atomRefs="INDOLE_PYRUVATE-atom3 INDOLE_PYRUVATE-atom5" order="A"/> <bond id="INDOLE_PYRUVATE-bond17" atomRefs="INDOLE_PYRUVATE-atom1 INDOLE_PYRUVATE-atom10" order="1"/> <formula concise="C 11 H 9 N 1 O 3" formalCharge="0"/> 203.197 C(O)(=O)C(=O)Cc2(c[nH]c1(ccccc12))
NIL Forms part of an alternative nonmevalonate pathway for terpenoid biosynthesis.
4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol kinase
2-phospho-4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol
<atom id="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom1" elementType="C" x2="0.2717" y2="-4.5655"/> <atom id="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom2" elementType="N" x2="20.1894" y2="-3.5644"/> <atom id="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom3" elementType="O" x2="16.4134" y2="-0.2366"/> <atom id="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom4" elementType="O" x2="2.2082" y2="-7.3757"/> <atom id="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom5" elementType="O" x2="6.1586" y2="-4.0314"/> <atom id="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom6" elementType="O" x2="8.9599" y2="-4.0369"/> <atom id="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom7" elementType="O" x2="0.0246" y2="-1.5173"/> <atom id="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom8" elementType="O" x2="2.2466" y2="-1.2954"/> <atom id="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom9" elementType="O" x2="11.6554" y2="-0.6157"/> <atom id="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom10" elementType="O" x2="14.6384" y2="0.0"/> <atom id="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom11" elementType="O" x2="3.6075" y2="-5.995"/> <atom id="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom12" elementType="O" x2="0.8078" y2="-5.9926"/> <atom id="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom13" elementType="O" x2="6.1322" y2="-1.2316"/> <atom id="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom14" elementType="O" x2="8.971" y2="-1.2372"/> <atom id="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom15" elementType="C" x2="18.0991" y2="-4.0834"/> <atom id="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom16" elementType="C" x2="16.7077" y2="-3.9289"/> <atom id="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom17" elementType="C" x2="0.0" y2="-2.9171"/> <atom id="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom18" elementType="C" x2="3.5529" y2="-3.3979"/> <atom id="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom19" elementType="C" x2="11.3192" y2="-3.6429"/> <atom id="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom20" elementType="N" x2="18.3668" y2="-1.6734"/> <atom id="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom21" elementType="O" x2="4.7458" y2="-2.6651"/> <atom id="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom22" elementType="O" x2="10.3454" y2="-2.6371"/> <atom id="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom23" elementType="O" x2="13.8115" y2="-3.527"/> <atom id="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom24" elementType="O" x2="2.2064" y2="-4.5757"/> <atom id="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom25" elementType="O" x2="7.5454" y2="-2.6362"/> <atom id="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom26" elementType="C" x2="18.9287" y2="-2.9557"/> <atom id="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom27" elementType="C" x2="16.9753" y2="-1.5189"/> <atom id="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom28" elementType="C" x2="2.3439" y2="-2.692"/> <atom id="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom29" elementType="C" x2="12.6904" y2="-1.5586"/> <atom id="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom30" elementType="C" x2="14.0615" y2="-1.2756"/> <atom id="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom31" elementType="C" x2="12.5359" y2="-2.9501"/> <atom id="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom32" elementType="C" x2="14.7543" y2="-2.4921"/> <atom id="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom33" elementType="N" x2="16.1458" y2="-2.6466"/> <atom id="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom34" elementType="C" x2="1.2444" y2="-3.5586"/> <atom id="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom35" elementType="P" x2="2.2077" y2="-5.9757"/> <atom id="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom36" elementType="P" x2="6.1454" y2="-2.6315"/> <atom id="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom37" elementType="P" x2="8.9454" y2="-2.637"/> <bond id="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-bond1" atomRefs="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom32 2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom33" order="1"/> <bond id="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-bond2" atomRefs="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom30 2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom32" order="1"/> <bond id="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-bond3" atomRefs="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom29 2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom31" order="1"/> <bond id="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-bond4" atomRefs="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom29 2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom30" order="1"/> <bond id="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-bond5" atomRefs="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom28 2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom34" order="1"/> <bond id="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-bond6" atomRefs="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom33 2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom27" order="A"/> <bond id="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-bond7" atomRefs="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom25 2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom37" order="1"/> <bond id="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-bond8" atomRefs="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom25 2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom36" order="1"/> <bond id="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-bond9" atomRefs="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom24 2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom35" order="1"/> <bond id="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-bond10" atomRefs="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom34 2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom24" order="1"/> <bond id="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-bond11" atomRefs="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom23 2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom32" order="1"/> <bond id="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-bond12" atomRefs="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom23 2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom31" order="1"/> <bond id="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-bond13" atomRefs="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom22 2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom37" order="1"/> <bond id="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-bond14" atomRefs="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom21 2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom36" order="1"/> <bond id="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-bond15" atomRefs="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom27 2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom20" order="A"/> <bond id="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-bond16" atomRefs="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom20 2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom26" order="A"/> <bond id="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-bond17" atomRefs="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom19 2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom31" order="1"/> <bond id="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-bond18" atomRefs="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom19 2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom22" order="1"/> <bond id="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-bond19" atomRefs="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom18 2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom28" order="1"/> <bond id="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-bond20" atomRefs="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom18 2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom21" order="1"/> <bond id="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-bond21" atomRefs="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom17 2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom34" order="1"/> <bond id="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-bond22" atomRefs="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom16 2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom33" order="A"/> <bond id="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-bond23" atomRefs="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom26 2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom15" order="A"/> <bond id="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-bond24" atomRefs="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom15 2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom16" order="A"/> <bond id="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-bond25" atomRefs="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom14 2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom37" order="1"/> <bond id="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-bond26" atomRefs="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom13 2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom36" order="1"/> <bond id="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-bond27" atomRefs="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom12 2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom35" order="1"/> <bond id="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-bond28" atomRefs="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom11 2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom35" order="1"/> <bond id="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-bond29" atomRefs="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom30 2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom10" order="1"/> <bond id="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-bond30" atomRefs="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom29 2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom9" order="1"/> <bond id="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-bond31" atomRefs="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom28 2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom8" order="1"/> <bond id="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-bond32" atomRefs="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom7 2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom17" order="1"/> <bond id="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-bond33" atomRefs="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom6 2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom37" order="2"/> <bond id="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-bond34" atomRefs="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom5 2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom36" order="2"/> <bond id="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-bond35" atomRefs="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom4 2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom35" order="2"/> <bond id="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-bond36" atomRefs="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom3 2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom27" order="2"/> <bond id="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-bond37" atomRefs="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom2 2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom26" order="1"/> <bond id="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-bond38" atomRefs="2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom34 2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET-atom1" order="1"/> <formula concise="C 14 H 26 N 3 O 17 P 3" formalCharge="0"/> 601.291 CC(CO)(OP(O)(O)=O)C(O)COP(=O)(O)OP(=O)(O)OCC1(OC(C(O)C1O)n2(c(=O)nc(N)cc2))
4-diphosphocytidyl-2C-methyl-D-erythritol 2-phosphate
4-diphosphocytidyl-2-C-methylerythritol 2-phosphate
4-diphosphocytidyl-2-C-methyl-D-erythritol kinase
<atom id="CMP-atom1" elementType="N" x2="8.5918" y2="-5.0505"/> <atom id="CMP-atom2" elementType="O" x2="7.167" y2="-2.5808"/> <atom id="CMP-atom3" elementType="O" x2="4.1382" y2="-1.9811"/> <atom id="CMP-atom4" elementType="O" x2="6.1144" y2="-0.0013"/> <atom id="CMP-atom5" elementType="O" x2="7.907" y2="0.0"/> <atom id="CMP-atom6" elementType="O" x2="4.1357" y2="-0.3399"/> <atom id="CMP-atom7" elementType="C" x2="9.3138" y2="-3.8196"/> <atom id="CMP-atom8" elementType="C" x2="9.3138" y2="-2.9898"/> <atom id="CMP-atom9" elementType="C" x2="5.5707" y2="-1.7052"/> <atom id="CMP-atom10" elementType="N" x2="7.8834" y2="-3.8196"/> <atom id="CMP-atom11" elementType="O" x2="4.9587" y2="-1.1587"/> <atom id="CMP-atom12" elementType="O" x2="7.0093" y2="-1.9263"/> <atom id="CMP-atom13" elementType="O" x2="3.3167" y2="-1.1605"/> <atom id="CMP-atom14" elementType="C" x2="7.8834" y2="-2.9898"/> <atom id="CMP-atom15" elementType="C" x2="8.594" y2="-4.2299"/> <atom id="CMP-atom16" elementType="C" x2="6.599" y2="-0.6634"/> <atom id="CMP-atom17" elementType="C" x2="7.4241" y2="-0.6634"/> <atom id="CMP-atom18" elementType="C" x2="6.35" y2="-1.4486"/> <atom id="CMP-atom19" elementType="C" x2="7.6778" y2="-1.4486"/> <atom id="CMP-atom20" elementType="N" x2="8.594" y2="-2.5705"/> <atom id="CMP-atom21" elementType="P" x2="4.1373" y2="-1.1605"/> <bond id="CMP-bond1" atomRefs="CMP-atom1 CMP-atom15" order="1"/> <bond id="CMP-bond2" atomRefs="CMP-atom2 CMP-atom14" order="2"/> <bond id="CMP-bond3" atomRefs="CMP-atom3 CMP-atom21" order="2"/> <bond id="CMP-bond4" atomRefs="CMP-atom16 CMP-atom4" order="1"/> <bond id="CMP-bond5" atomRefs="CMP-atom17 CMP-atom5" order="1"/> <bond id="CMP-bond6" atomRefs="CMP-atom6 CMP-atom21" order="1"/> <bond id="CMP-bond7" atomRefs="CMP-atom8 CMP-atom7" order="A"/> <bond id="CMP-bond8" atomRefs="CMP-atom7 CMP-atom15" order="A"/> <bond id="CMP-bond9" atomRefs="CMP-atom20 CMP-atom8" order="A"/> <bond id="CMP-bond10" atomRefs="CMP-atom9 CMP-atom11" order="1"/> <bond id="CMP-bond11" atomRefs="CMP-atom18 CMP-atom9" order="1"/> <bond id="CMP-bond12" atomRefs="CMP-atom10 CMP-atom14" order="A"/> <bond id="CMP-bond13" atomRefs="CMP-atom15 CMP-atom10" order="A"/> <bond id="CMP-bond14" atomRefs="CMP-atom11 CMP-atom21" order="1"/> <bond id="CMP-bond15" atomRefs="CMP-atom12 CMP-atom18" order="1"/> <bond id="CMP-bond16" atomRefs="CMP-atom12 CMP-atom19" order="1"/> <bond id="CMP-bond17" atomRefs="CMP-atom13 CMP-atom21" order="1"/> <bond id="CMP-bond18" atomRefs="CMP-atom14 CMP-atom20" order="A"/> <bond id="CMP-bond19" atomRefs="CMP-atom16 CMP-atom17" order="1"/> <bond id="CMP-bond20" atomRefs="CMP-atom16 CMP-atom18" order="1"/> <bond id="CMP-bond21" atomRefs="CMP-atom17 CMP-atom19" order="1"/> <bond id="CMP-bond22" atomRefs="CMP-atom19 CMP-atom20" order="1"/> <formula concise="C 9 H 14 N 3 O 8 P 1" formalCharge="0"/> 323.199 c1(n(c(=O)nc(N)c1)C2(OC(C(O)C(O)2)COP(O)(=O)O))
<atom id="2-DEHYDRO-3-DEOXY-D-GLUCONATE-atom1" elementType="C" x2="-0.68333" y2="-0.22"/> <atom id="2-DEHYDRO-3-DEOXY-D-GLUCONATE-atom2" elementType="O" x2="-0.36667" y2="-0.50667"/> <atom id="2-DEHYDRO-3-DEOXY-D-GLUCONATE-atom3" elementType="H" x2="-1.0" y2="-0.22"/> <atom id="2-DEHYDRO-3-DEOXY-D-GLUCONATE-atom4" elementType="H" x2="-1.0" y2="0.06"/> <atom id="2-DEHYDRO-3-DEOXY-D-GLUCONATE-atom5" elementType="O" x2="-0.92" y2="-1.0"/> <atom id="2-DEHYDRO-3-DEOXY-D-GLUCONATE-atom6" elementType="H" x2="-1.0" y2="0.37333"/> <atom id="2-DEHYDRO-3-DEOXY-D-GLUCONATE-atom7" elementType="C" x2="-0.68333" y2="-0.50667"/> <atom id="2-DEHYDRO-3-DEOXY-D-GLUCONATE-atom8" elementType="C" x2="-0.68333" y2="0.06"/> <atom id="2-DEHYDRO-3-DEOXY-D-GLUCONATE-atom9" elementType="C" x2="-0.68333" y2="-0.78333"/> <atom id="2-DEHYDRO-3-DEOXY-D-GLUCONATE-atom10" elementType="O" x2="-0.68333" y2="0.99667"/> <atom id="2-DEHYDRO-3-DEOXY-D-GLUCONATE-atom11" elementType="O" x2="-0.36667" y2="0.06"/> <atom id="2-DEHYDRO-3-DEOXY-D-GLUCONATE-atom12" elementType="O" x2="-0.36667" y2="0.37333"/> <atom id="2-DEHYDRO-3-DEOXY-D-GLUCONATE-atom13" elementType="C" x2="-0.68333" y2="0.37333"/> <atom id="2-DEHYDRO-3-DEOXY-D-GLUCONATE-atom14" elementType="H" x2="-0.36667" y2="-0.22"/> <atom id="2-DEHYDRO-3-DEOXY-D-GLUCONATE-atom15" elementType="O" x2="-0.45333" y2="-1.0"/> <atom id="2-DEHYDRO-3-DEOXY-D-GLUCONATE-atom16" elementType="C" x2="-0.68333" y2="0.68"/> <bond id="2-DEHYDRO-3-DEOXY-D-GLUCONATE-bond1" atomRefs="2-DEHYDRO-3-DEOXY-D-GLUCONATE-atom16 2-DEHYDRO-3-DEOXY-D-GLUCONATE-atom10" order="1"/> <bond id="2-DEHYDRO-3-DEOXY-D-GLUCONATE-bond2" atomRefs="2-DEHYDRO-3-DEOXY-D-GLUCONATE-atom15 2-DEHYDRO-3-DEOXY-D-GLUCONATE-atom9" order="1"/> <bond id="2-DEHYDRO-3-DEOXY-D-GLUCONATE-bond3" atomRefs="2-DEHYDRO-3-DEOXY-D-GLUCONATE-atom13 2-DEHYDRO-3-DEOXY-D-GLUCONATE-atom16" order="1"/> <bond id="2-DEHYDRO-3-DEOXY-D-GLUCONATE-bond4" atomRefs="2-DEHYDRO-3-DEOXY-D-GLUCONATE-atom13 2-DEHYDRO-3-DEOXY-D-GLUCONATE-atom12" order="1"/> <bond id="2-DEHYDRO-3-DEOXY-D-GLUCONATE-bond5" atomRefs="2-DEHYDRO-3-DEOXY-D-GLUCONATE-atom13 2-DEHYDRO-3-DEOXY-D-GLUCONATE-atom6" order="1"/> <bond id="2-DEHYDRO-3-DEOXY-D-GLUCONATE-bond6" atomRefs="2-DEHYDRO-3-DEOXY-D-GLUCONATE-atom9 2-DEHYDRO-3-DEOXY-D-GLUCONATE-atom7" order="1"/> <bond id="2-DEHYDRO-3-DEOXY-D-GLUCONATE-bond7" atomRefs="2-DEHYDRO-3-DEOXY-D-GLUCONATE-atom8 2-DEHYDRO-3-DEOXY-D-GLUCONATE-atom13" order="1"/> <bond id="2-DEHYDRO-3-DEOXY-D-GLUCONATE-bond8" atomRefs="2-DEHYDRO-3-DEOXY-D-GLUCONATE-atom8 2-DEHYDRO-3-DEOXY-D-GLUCONATE-atom11" order="1"/> <bond id="2-DEHYDRO-3-DEOXY-D-GLUCONATE-bond9" atomRefs="2-DEHYDRO-3-DEOXY-D-GLUCONATE-atom7 2-DEHYDRO-3-DEOXY-D-GLUCONATE-atom1" order="1"/> <bond id="2-DEHYDRO-3-DEOXY-D-GLUCONATE-bond10" atomRefs="2-DEHYDRO-3-DEOXY-D-GLUCONATE-atom5 2-DEHYDRO-3-DEOXY-D-GLUCONATE-atom9" order="2"/> <bond id="2-DEHYDRO-3-DEOXY-D-GLUCONATE-bond11" atomRefs="2-DEHYDRO-3-DEOXY-D-GLUCONATE-atom4 2-DEHYDRO-3-DEOXY-D-GLUCONATE-atom8" order="1"/> <bond id="2-DEHYDRO-3-DEOXY-D-GLUCONATE-bond12" atomRefs="2-DEHYDRO-3-DEOXY-D-GLUCONATE-atom2 2-DEHYDRO-3-DEOXY-D-GLUCONATE-atom7" order="2"/> <bond id="2-DEHYDRO-3-DEOXY-D-GLUCONATE-bond13" atomRefs="2-DEHYDRO-3-DEOXY-D-GLUCONATE-atom1 2-DEHYDRO-3-DEOXY-D-GLUCONATE-atom8" order="1"/> <bond id="2-DEHYDRO-3-DEOXY-D-GLUCONATE-bond14" atomRefs="2-DEHYDRO-3-DEOXY-D-GLUCONATE-atom1 2-DEHYDRO-3-DEOXY-D-GLUCONATE-atom14" order="1"/> <bond id="2-DEHYDRO-3-DEOXY-D-GLUCONATE-bond15" atomRefs="2-DEHYDRO-3-DEOXY-D-GLUCONATE-atom1 2-DEHYDRO-3-DEOXY-D-GLUCONATE-atom3" order="1"/> <formula concise="C 6 H 10 O 6" formalCharge="0"/> 178.141 C(=O)(O)C(=O)[CH2][CH](O)[CH](O)CO
<atom id="2-KETO-3-DEOXY-6-P-GLUCONATE-atom1" elementType="O" x2="-0.76" y2="0.52"/> <atom id="2-KETO-3-DEOXY-6-P-GLUCONATE-atom2" elementType="O" x2="-0.51667" y2="0.04333"/> <atom id="2-KETO-3-DEOXY-6-P-GLUCONATE-atom3" elementType="C" x2="-0.76" y2="0.04333"/> <atom id="2-KETO-3-DEOXY-6-P-GLUCONATE-atom4" elementType="O" x2="-1.0" y2="-0.19333"/> <atom id="2-KETO-3-DEOXY-6-P-GLUCONATE-atom5" elementType="O" x2="-0.51667" y2="0.75667"/> <atom id="2-KETO-3-DEOXY-6-P-GLUCONATE-atom6" elementType="C" x2="-0.76" y2="-0.19333"/> <atom id="2-KETO-3-DEOXY-6-P-GLUCONATE-atom7" elementType="O" x2="-0.51667" y2="-0.62333"/> <atom id="2-KETO-3-DEOXY-6-P-GLUCONATE-atom8" elementType="C" x2="-0.76" y2="0.28"/> <atom id="2-KETO-3-DEOXY-6-P-GLUCONATE-atom9" elementType="O" x2="-0.76" y2="0.99667"/> <atom id="2-KETO-3-DEOXY-6-P-GLUCONATE-atom10" elementType="C" x2="-0.76" y2="-0.40667"/> <atom id="2-KETO-3-DEOXY-6-P-GLUCONATE-atom11" elementType="C" x2="-0.76" y2="-0.83667"/> <atom id="2-KETO-3-DEOXY-6-P-GLUCONATE-atom12" elementType="O" x2="-1.0" y2="0.75667"/> <atom id="2-KETO-3-DEOXY-6-P-GLUCONATE-atom13" elementType="H" x2="-1.0" y2="-0.40667"/> <atom id="2-KETO-3-DEOXY-6-P-GLUCONATE-atom14" elementType="O" x2="-0.58667" y2="-1.0"/> <atom id="2-KETO-3-DEOXY-6-P-GLUCONATE-atom15" elementType="H" x2="-1.0" y2="0.04333"/> <atom id="2-KETO-3-DEOXY-6-P-GLUCONATE-atom16" elementType="P" x2="-0.76" y2="0.75667"/> <atom id="2-KETO-3-DEOXY-6-P-GLUCONATE-atom17" elementType="H" x2="-0.51667" y2="-0.40667"/> <atom id="2-KETO-3-DEOXY-6-P-GLUCONATE-atom18" elementType="O" x2="-0.94333" y2="-1.0"/> <atom id="2-KETO-3-DEOXY-6-P-GLUCONATE-atom19" elementType="C" x2="-0.76" y2="-0.62333"/> <atom id="2-KETO-3-DEOXY-6-P-GLUCONATE-atom20" elementType="H" x2="-0.51667" y2="-0.19333"/> <bond id="2-KETO-3-DEOXY-6-P-GLUCONATE-bond1" atomRefs="2-KETO-3-DEOXY-6-P-GLUCONATE-atom19 2-KETO-3-DEOXY-6-P-GLUCONATE-atom10" order="1"/> <bond id="2-KETO-3-DEOXY-6-P-GLUCONATE-bond2" atomRefs="2-KETO-3-DEOXY-6-P-GLUCONATE-atom18 2-KETO-3-DEOXY-6-P-GLUCONATE-atom11" order="2"/> <bond id="2-KETO-3-DEOXY-6-P-GLUCONATE-bond3" atomRefs="2-KETO-3-DEOXY-6-P-GLUCONATE-atom16 2-KETO-3-DEOXY-6-P-GLUCONATE-atom12" order="1"/> <bond id="2-KETO-3-DEOXY-6-P-GLUCONATE-bond4" atomRefs="2-KETO-3-DEOXY-6-P-GLUCONATE-atom16 2-KETO-3-DEOXY-6-P-GLUCONATE-atom5" order="1"/> <bond id="2-KETO-3-DEOXY-6-P-GLUCONATE-bond5" atomRefs="2-KETO-3-DEOXY-6-P-GLUCONATE-atom16 2-KETO-3-DEOXY-6-P-GLUCONATE-atom9" order="2"/> <bond id="2-KETO-3-DEOXY-6-P-GLUCONATE-bond6" atomRefs="2-KETO-3-DEOXY-6-P-GLUCONATE-atom14 2-KETO-3-DEOXY-6-P-GLUCONATE-atom11" order="1"/> <bond id="2-KETO-3-DEOXY-6-P-GLUCONATE-bond7" atomRefs="2-KETO-3-DEOXY-6-P-GLUCONATE-atom11 2-KETO-3-DEOXY-6-P-GLUCONATE-atom19" order="1"/> <bond id="2-KETO-3-DEOXY-6-P-GLUCONATE-bond8" atomRefs="2-KETO-3-DEOXY-6-P-GLUCONATE-atom10 2-KETO-3-DEOXY-6-P-GLUCONATE-atom13" order="1"/> <bond id="2-KETO-3-DEOXY-6-P-GLUCONATE-bond9" atomRefs="2-KETO-3-DEOXY-6-P-GLUCONATE-atom10 2-KETO-3-DEOXY-6-P-GLUCONATE-atom17" order="1"/> <bond id="2-KETO-3-DEOXY-6-P-GLUCONATE-bond10" atomRefs="2-KETO-3-DEOXY-6-P-GLUCONATE-atom10 2-KETO-3-DEOXY-6-P-GLUCONATE-atom6" order="1"/> <bond id="2-KETO-3-DEOXY-6-P-GLUCONATE-bond11" atomRefs="2-KETO-3-DEOXY-6-P-GLUCONATE-atom8 2-KETO-3-DEOXY-6-P-GLUCONATE-atom1" order="1"/> <bond id="2-KETO-3-DEOXY-6-P-GLUCONATE-bond12" atomRefs="2-KETO-3-DEOXY-6-P-GLUCONATE-atom7 2-KETO-3-DEOXY-6-P-GLUCONATE-atom19" order="2"/> <bond id="2-KETO-3-DEOXY-6-P-GLUCONATE-bond13" atomRefs="2-KETO-3-DEOXY-6-P-GLUCONATE-atom6 2-KETO-3-DEOXY-6-P-GLUCONATE-atom20" order="1"/> <bond id="2-KETO-3-DEOXY-6-P-GLUCONATE-bond14" atomRefs="2-KETO-3-DEOXY-6-P-GLUCONATE-atom6 2-KETO-3-DEOXY-6-P-GLUCONATE-atom3" order="1"/> <bond id="2-KETO-3-DEOXY-6-P-GLUCONATE-bond15" atomRefs="2-KETO-3-DEOXY-6-P-GLUCONATE-atom4 2-KETO-3-DEOXY-6-P-GLUCONATE-atom6" order="1"/> <bond id="2-KETO-3-DEOXY-6-P-GLUCONATE-bond16" atomRefs="2-KETO-3-DEOXY-6-P-GLUCONATE-atom3 2-KETO-3-DEOXY-6-P-GLUCONATE-atom15" order="1"/> <bond id="2-KETO-3-DEOXY-6-P-GLUCONATE-bond17" atomRefs="2-KETO-3-DEOXY-6-P-GLUCONATE-atom3 2-KETO-3-DEOXY-6-P-GLUCONATE-atom2" order="1"/> <bond id="2-KETO-3-DEOXY-6-P-GLUCONATE-bond18" atomRefs="2-KETO-3-DEOXY-6-P-GLUCONATE-atom3 2-KETO-3-DEOXY-6-P-GLUCONATE-atom8" order="1"/> <bond id="2-KETO-3-DEOXY-6-P-GLUCONATE-bond19" atomRefs="2-KETO-3-DEOXY-6-P-GLUCONATE-atom1 2-KETO-3-DEOXY-6-P-GLUCONATE-atom16" order="1"/> <formula concise="C 6 H 11 O 9 P 1" formalCharge="0"/> 258.121 C(OP(O)(O)=O)[CH](O)[CH](O)[CH2]C(=O)C(=O)O
Protein-N(PI)-phosphohistidine-sugar phosphotransferase
Enzyme II of the phosphotransferase system
<atom id="N-ACETYL-D-MANNOSAMINE-atom1" elementType="C" x2="0.42673" y2="0.58454"/> <atom id="N-ACETYL-D-MANNOSAMINE-atom2" elementType="O" x2="0.42673" y2="1.0"/> <atom id="N-ACETYL-D-MANNOSAMINE-atom3" elementType="C" x2="-0.65217" y2="-0.76812"/> <atom id="N-ACETYL-D-MANNOSAMINE-atom4" elementType="C" x2="0.01449" y2="0.41385"/> <atom id="N-ACETYL-D-MANNOSAMINE-atom5" elementType="C" x2="-0.65217" y2="-0.4847"/> <atom id="N-ACETYL-D-MANNOSAMINE-atom6" elementType="O" x2="0.01449" y2="-0.4847"/> <atom id="N-ACETYL-D-MANNOSAMINE-atom7" elementType="C" x2="-0.65217" y2="0.41385"/> <atom id="N-ACETYL-D-MANNOSAMINE-atom8" elementType="O" x2="-0.65217" y2="0.16586"/> <atom id="N-ACETYL-D-MANNOSAMINE-atom9" elementType="O" x2="-1.0" y2="-0.99678"/> <atom id="N-ACETYL-D-MANNOSAMINE-atom10" elementType="H" x2="-0.65217" y2="0.66184"/> <atom id="N-ACETYL-D-MANNOSAMINE-atom11" elementType="N" x2="0.01449" y2="0.08213"/> <atom id="N-ACETYL-D-MANNOSAMINE-atom12" elementType="H" x2="0.01449" y2="0.66184"/> <atom id="N-ACETYL-D-MANNOSAMINE-atom13" elementType="C" x2="0.36554" y2="-0.0306"/> <atom id="N-ACETYL-D-MANNOSAMINE-atom14" elementType="O" x2="0.36554" y2="0.21739"/> <atom id="N-ACETYL-D-MANNOSAMINE-atom15" elementType="O" x2="-0.99356" y2="0.21739"/> <atom id="N-ACETYL-D-MANNOSAMINE-atom16" elementType="C" x2="-0.99356" y2="-0.0306"/> <atom id="N-ACETYL-D-MANNOSAMINE-atom17" elementType="H" x2="-0.99356" y2="-0.27858"/> <atom id="N-ACETYL-D-MANNOSAMINE-atom18" elementType="H" x2="-0.65217" y2="-0.23671"/> <atom id="N-ACETYL-D-MANNOSAMINE-atom19" elementType="C" x2="0.84219" y2="0.58454"/> <atom id="N-ACETYL-D-MANNOSAMINE-atom20" elementType="H" x2="0.36554" y2="-0.27858"/> <bond id="N-ACETYL-D-MANNOSAMINE-bond1" atomRefs="N-ACETYL-D-MANNOSAMINE-atom20 N-ACETYL-D-MANNOSAMINE-atom13" order="1"/> <bond id="N-ACETYL-D-MANNOSAMINE-bond2" atomRefs="N-ACETYL-D-MANNOSAMINE-atom19 N-ACETYL-D-MANNOSAMINE-atom1" order="1"/> <bond id="N-ACETYL-D-MANNOSAMINE-bond3" atomRefs="N-ACETYL-D-MANNOSAMINE-atom18 N-ACETYL-D-MANNOSAMINE-atom5" order="1"/> <bond id="N-ACETYL-D-MANNOSAMINE-bond4" atomRefs="N-ACETYL-D-MANNOSAMINE-atom17 N-ACETYL-D-MANNOSAMINE-atom16" order="1"/> <bond id="N-ACETYL-D-MANNOSAMINE-bond5" atomRefs="N-ACETYL-D-MANNOSAMINE-atom16 N-ACETYL-D-MANNOSAMINE-atom7" order="1"/> <bond id="N-ACETYL-D-MANNOSAMINE-bond6" atomRefs="N-ACETYL-D-MANNOSAMINE-atom15 N-ACETYL-D-MANNOSAMINE-atom16" order="1"/> <bond id="N-ACETYL-D-MANNOSAMINE-bond7" atomRefs="N-ACETYL-D-MANNOSAMINE-atom14 N-ACETYL-D-MANNOSAMINE-atom13" order="1"/> <bond id="N-ACETYL-D-MANNOSAMINE-bond8" atomRefs="N-ACETYL-D-MANNOSAMINE-atom13 N-ACETYL-D-MANNOSAMINE-atom4" order="1"/> <bond id="N-ACETYL-D-MANNOSAMINE-bond9" atomRefs="N-ACETYL-D-MANNOSAMINE-atom12 N-ACETYL-D-MANNOSAMINE-atom4" order="1"/> <bond id="N-ACETYL-D-MANNOSAMINE-bond10" atomRefs="N-ACETYL-D-MANNOSAMINE-atom11 N-ACETYL-D-MANNOSAMINE-atom4" order="1"/> <bond id="N-ACETYL-D-MANNOSAMINE-bond11" atomRefs="N-ACETYL-D-MANNOSAMINE-atom10 N-ACETYL-D-MANNOSAMINE-atom7" order="1"/> <bond id="N-ACETYL-D-MANNOSAMINE-bond12" atomRefs="N-ACETYL-D-MANNOSAMINE-atom9 N-ACETYL-D-MANNOSAMINE-atom3" order="1"/> <bond id="N-ACETYL-D-MANNOSAMINE-bond13" atomRefs="N-ACETYL-D-MANNOSAMINE-atom8 N-ACETYL-D-MANNOSAMINE-atom7" order="1"/> <bond id="N-ACETYL-D-MANNOSAMINE-bond14" atomRefs="N-ACETYL-D-MANNOSAMINE-atom7 N-ACETYL-D-MANNOSAMINE-atom4" order="1"/> <bond id="N-ACETYL-D-MANNOSAMINE-bond15" atomRefs="N-ACETYL-D-MANNOSAMINE-atom6 N-ACETYL-D-MANNOSAMINE-atom13" order="1"/> <bond id="N-ACETYL-D-MANNOSAMINE-bond16" atomRefs="N-ACETYL-D-MANNOSAMINE-atom5 N-ACETYL-D-MANNOSAMINE-atom6" order="1"/> <bond id="N-ACETYL-D-MANNOSAMINE-bond17" atomRefs="N-ACETYL-D-MANNOSAMINE-atom5 N-ACETYL-D-MANNOSAMINE-atom16" order="1"/> <bond id="N-ACETYL-D-MANNOSAMINE-bond18" atomRefs="N-ACETYL-D-MANNOSAMINE-atom3 N-ACETYL-D-MANNOSAMINE-atom5" order="1"/> <bond id="N-ACETYL-D-MANNOSAMINE-bond19" atomRefs="N-ACETYL-D-MANNOSAMINE-atom2 N-ACETYL-D-MANNOSAMINE-atom1" order="2"/> <bond id="N-ACETYL-D-MANNOSAMINE-bond20" atomRefs="N-ACETYL-D-MANNOSAMINE-atom1 N-ACETYL-D-MANNOSAMINE-atom11" order="1"/> <formula concise="C 8 H 15 N 1 O 6" formalCharge="0"/> 221.21 C(=O)(C)N[CH]1([CH](O)O[CH](CO)[CH](O)[CH](O)1)
<atom id="N-ACETYL-D-MANNOSAMINE-6P-atom1" elementType="H" x2="-0.66445" y2="-0.07641"/> <atom id="N-ACETYL-D-MANNOSAMINE-6P-atom2" elementType="C" x2="-0.41196" y2="-0.5814"/> <atom id="N-ACETYL-D-MANNOSAMINE-6P-atom3" elementType="O" x2="0.07973" y2="0.08306"/> <atom id="N-ACETYL-D-MANNOSAMINE-6P-atom4" elementType="H" x2="-0.41196" y2="-0.75748"/> <atom id="N-ACETYL-D-MANNOSAMINE-6P-atom5" elementType="P" x2="-0.70432" y2="0.701"/> <atom id="N-ACETYL-D-MANNOSAMINE-6P-atom6" elementType="O" x2="0.33887" y2="-0.42857"/> <atom id="N-ACETYL-D-MANNOSAMINE-6P-atom7" elementType="C" x2="0.67442" y2="-0.57143"/> <atom id="N-ACETYL-D-MANNOSAMINE-6P-atom8" elementType="C" x2="-0.66445" y2="-0.25249"/> <atom id="N-ACETYL-D-MANNOSAMINE-6P-atom9" elementType="C" x2="0.07973" y2="-0.5814"/> <atom id="N-ACETYL-D-MANNOSAMINE-6P-atom10" elementType="O" x2="-1.0" y2="0.701"/> <atom id="N-ACETYL-D-MANNOSAMINE-6P-atom11" elementType="C" x2="0.33887" y2="-0.25249"/> <atom id="N-ACETYL-D-MANNOSAMINE-6P-atom12" elementType="H" x2="0.07973" y2="-0.75748"/> <atom id="N-ACETYL-D-MANNOSAMINE-6P-atom13" elementType="N" x2="0.07973" y2="-0.33555"/> <atom id="N-ACETYL-D-MANNOSAMINE-6P-atom14" elementType="H" x2="0.33887" y2="-0.07641"/> <atom id="N-ACETYL-D-MANNOSAMINE-6P-atom15" elementType="O" x2="-0.40864" y2="0.701"/> <atom id="N-ACETYL-D-MANNOSAMINE-6P-atom16" elementType="O" x2="0.38206" y2="-1.0"/> <atom id="N-ACETYL-D-MANNOSAMINE-6P-atom17" elementType="C" x2="0.38206" y2="-0.70432"/> <atom id="N-ACETYL-D-MANNOSAMINE-6P-atom18" elementType="C" x2="-0.41196" y2="0.08306"/> <atom id="N-ACETYL-D-MANNOSAMINE-6P-atom19" elementType="O" x2="-0.66445" y2="-0.42857"/> <atom id="N-ACETYL-D-MANNOSAMINE-6P-atom20" elementType="C" x2="-0.41196" y2="0.29236"/> <atom id="N-ACETYL-D-MANNOSAMINE-6P-atom21" elementType="O" x2="-0.70432" y2="0.99668"/> <atom id="N-ACETYL-D-MANNOSAMINE-6P-atom22" elementType="O" x2="-0.41196" y2="-0.40532"/> <atom id="N-ACETYL-D-MANNOSAMINE-6P-atom23" elementType="O" x2="-0.70432" y2="0.42193"/> <atom id="N-ACETYL-D-MANNOSAMINE-6P-atom24" elementType="H" x2="-0.41196" y2="-0.09302"/> <bond id="N-ACETYL-D-MANNOSAMINE-6P-bond1" atomRefs="N-ACETYL-D-MANNOSAMINE-6P-atom24 N-ACETYL-D-MANNOSAMINE-6P-atom18" order="1"/> <bond id="N-ACETYL-D-MANNOSAMINE-6P-bond2" atomRefs="N-ACETYL-D-MANNOSAMINE-6P-atom23 N-ACETYL-D-MANNOSAMINE-6P-atom20" order="1"/> <bond id="N-ACETYL-D-MANNOSAMINE-6P-bond3" atomRefs="N-ACETYL-D-MANNOSAMINE-6P-atom23 N-ACETYL-D-MANNOSAMINE-6P-atom5" order="1"/> <bond id="N-ACETYL-D-MANNOSAMINE-6P-bond4" atomRefs="N-ACETYL-D-MANNOSAMINE-6P-atom22 N-ACETYL-D-MANNOSAMINE-6P-atom2" order="1"/> <bond id="N-ACETYL-D-MANNOSAMINE-6P-bond5" atomRefs="N-ACETYL-D-MANNOSAMINE-6P-atom20 N-ACETYL-D-MANNOSAMINE-6P-atom18" order="1"/> <bond id="N-ACETYL-D-MANNOSAMINE-6P-bond6" atomRefs="N-ACETYL-D-MANNOSAMINE-6P-atom19 N-ACETYL-D-MANNOSAMINE-6P-atom8" order="1"/> <bond id="N-ACETYL-D-MANNOSAMINE-6P-bond7" atomRefs="N-ACETYL-D-MANNOSAMINE-6P-atom18 N-ACETYL-D-MANNOSAMINE-6P-atom8" order="1"/> <bond id="N-ACETYL-D-MANNOSAMINE-6P-bond8" atomRefs="N-ACETYL-D-MANNOSAMINE-6P-atom18 N-ACETYL-D-MANNOSAMINE-6P-atom3" order="1"/> <bond id="N-ACETYL-D-MANNOSAMINE-6P-bond9" atomRefs="N-ACETYL-D-MANNOSAMINE-6P-atom17 N-ACETYL-D-MANNOSAMINE-6P-atom13" order="1"/> <bond id="N-ACETYL-D-MANNOSAMINE-6P-bond10" atomRefs="N-ACETYL-D-MANNOSAMINE-6P-atom16 N-ACETYL-D-MANNOSAMINE-6P-atom17" order="2"/> <bond id="N-ACETYL-D-MANNOSAMINE-6P-bond11" atomRefs="N-ACETYL-D-MANNOSAMINE-6P-atom14 N-ACETYL-D-MANNOSAMINE-6P-atom11" order="1"/> <bond id="N-ACETYL-D-MANNOSAMINE-6P-bond12" atomRefs="N-ACETYL-D-MANNOSAMINE-6P-atom13 N-ACETYL-D-MANNOSAMINE-6P-atom9" order="1"/> <bond id="N-ACETYL-D-MANNOSAMINE-6P-bond13" atomRefs="N-ACETYL-D-MANNOSAMINE-6P-atom12 N-ACETYL-D-MANNOSAMINE-6P-atom9" order="1"/> <bond id="N-ACETYL-D-MANNOSAMINE-6P-bond14" atomRefs="N-ACETYL-D-MANNOSAMINE-6P-atom11 N-ACETYL-D-MANNOSAMINE-6P-atom9" order="1"/> <bond id="N-ACETYL-D-MANNOSAMINE-6P-bond15" atomRefs="N-ACETYL-D-MANNOSAMINE-6P-atom8 N-ACETYL-D-MANNOSAMINE-6P-atom2" order="1"/> <bond id="N-ACETYL-D-MANNOSAMINE-6P-bond16" atomRefs="N-ACETYL-D-MANNOSAMINE-6P-atom7 N-ACETYL-D-MANNOSAMINE-6P-atom17" order="1"/> <bond id="N-ACETYL-D-MANNOSAMINE-6P-bond17" atomRefs="N-ACETYL-D-MANNOSAMINE-6P-atom6 N-ACETYL-D-MANNOSAMINE-6P-atom11" order="1"/> <bond id="N-ACETYL-D-MANNOSAMINE-6P-bond18" atomRefs="N-ACETYL-D-MANNOSAMINE-6P-atom5 N-ACETYL-D-MANNOSAMINE-6P-atom21" order="2"/> <bond id="N-ACETYL-D-MANNOSAMINE-6P-bond19" atomRefs="N-ACETYL-D-MANNOSAMINE-6P-atom5 N-ACETYL-D-MANNOSAMINE-6P-atom15" order="1"/> <bond id="N-ACETYL-D-MANNOSAMINE-6P-bond20" atomRefs="N-ACETYL-D-MANNOSAMINE-6P-atom5 N-ACETYL-D-MANNOSAMINE-6P-atom10" order="1"/> <bond id="N-ACETYL-D-MANNOSAMINE-6P-bond21" atomRefs="N-ACETYL-D-MANNOSAMINE-6P-atom4 N-ACETYL-D-MANNOSAMINE-6P-atom2" order="1"/> <bond id="N-ACETYL-D-MANNOSAMINE-6P-bond22" atomRefs="N-ACETYL-D-MANNOSAMINE-6P-atom3 N-ACETYL-D-MANNOSAMINE-6P-atom11" order="1"/> <bond id="N-ACETYL-D-MANNOSAMINE-6P-bond23" atomRefs="N-ACETYL-D-MANNOSAMINE-6P-atom2 N-ACETYL-D-MANNOSAMINE-6P-atom9" order="1"/> <bond id="N-ACETYL-D-MANNOSAMINE-6P-bond24" atomRefs="N-ACETYL-D-MANNOSAMINE-6P-atom1 N-ACETYL-D-MANNOSAMINE-6P-atom8" order="1"/> <formula concise="C 8 H 16 N 1 O 9 P 1" formalCharge="0"/> 301.189 CC(=O)N[CH]1([CH](O)O[CH]([CH](O)[CH](O)1)COP(O)(=O)O)
<atom id="BUTYRIC_ACID-atom1" elementType="C" x2="-0.5" y2="-0.70861"/> <atom id="BUTYRIC_ACID-atom2" elementType="C" x2="0.49669" y2="-0.71523"/> <atom id="BUTYRIC_ACID-atom3" elementType="O" x2="-0.5" y2="-0.13245"/> <atom id="BUTYRIC_ACID-atom4" elementType="C" x2="0.99669" y2="-1.0"/> <atom id="BUTYRIC_ACID-atom5" elementType="C" x2="0.0" y2="-0.99669"/> <atom id="BUTYRIC_ACID-atom6" elementType="O" x2="-1.0" y2="-0.99669"/> <bond id="BUTYRIC_ACID-bond1" atomRefs="BUTYRIC_ACID-atom6 BUTYRIC_ACID-atom1" order="1"/> <bond id="BUTYRIC_ACID-bond2" atomRefs="BUTYRIC_ACID-atom5 BUTYRIC_ACID-atom1" order="1"/> <bond id="BUTYRIC_ACID-bond3" atomRefs="BUTYRIC_ACID-atom4 BUTYRIC_ACID-atom2" order="1"/> <bond id="BUTYRIC_ACID-bond4" atomRefs="BUTYRIC_ACID-atom3 BUTYRIC_ACID-atom1" order="2"/> <bond id="BUTYRIC_ACID-bond5" atomRefs="BUTYRIC_ACID-atom2 BUTYRIC_ACID-atom5" order="1"/> <formula concise="C 4 H 8 O 2" formalCharge="0"/> 88.106 C(=O)(O)CCC
<atom id="GUANOSINE-5DP-3DP-atom1" elementType="H" x2="5.2778" y2="-10.3386"/> <atom id="GUANOSINE-5DP-3DP-atom2" elementType="N" x2="5.2996" y2="-7.5726"/> <atom id="GUANOSINE-5DP-3DP-atom3" elementType="O" x2="7.6606" y2="-11.6722"/> <atom id="GUANOSINE-5DP-3DP-atom4" elementType="O" x2="1.371" y2="-6.2414"/> <atom id="GUANOSINE-5DP-3DP-atom5" elementType="O" x2="4.8608" y2="-0.0076"/> <atom id="GUANOSINE-5DP-3DP-atom6" elementType="O" x2="4.0978" y2="-6.2414"/> <atom id="GUANOSINE-5DP-3DP-atom7" elementType="O" x2="7.5894" y2="0.0"/> <atom id="GUANOSINE-5DP-3DP-atom8" elementType="O" x2="10.5559" y2="-2.7377"/> <atom id="GUANOSINE-5DP-3DP-atom9" elementType="O" x2="1.3555" y2="-3.478"/> <atom id="GUANOSINE-5DP-3DP-atom10" elementType="O" x2="0.0" y2="-4.878"/> <atom id="GUANOSINE-5DP-3DP-atom11" elementType="O" x2="4.8646" y2="-2.7344"/> <atom id="GUANOSINE-5DP-3DP-atom12" elementType="O" x2="3.4992" y2="-1.371"/> <atom id="GUANOSINE-5DP-3DP-atom13" elementType="O" x2="4.0673" y2="-3.6964"/> <atom id="GUANOSINE-5DP-3DP-atom14" elementType="O" x2="8.9527" y2="-1.3619"/> <atom id="GUANOSINE-5DP-3DP-atom15" elementType="C" x2="10.9715" y2="-8.9307"/> <atom id="GUANOSINE-5DP-3DP-atom16" elementType="C" x2="6.6401" y2="-5.5486"/> <atom id="GUANOSINE-5DP-3DP-atom17" elementType="N" x2="10.1723" y2="-10.0511"/> <atom id="GUANOSINE-5DP-3DP-atom18" elementType="N" x2="7.6644" y2="-7.5517"/> <atom id="GUANOSINE-5DP-3DP-atom19" elementType="O" x2="5.4536" y2="-4.878"/> <atom id="GUANOSINE-5DP-3DP-atom20" elementType="O" x2="9.0338" y2="-5.9304"/> <atom id="GUANOSINE-5DP-3DP-atom21" elementType="O" x2="7.5968" y2="-2.7248"/> <atom id="GUANOSINE-5DP-3DP-atom22" elementType="O" x2="2.7268" y2="-4.878"/> <atom id="GUANOSINE-5DP-3DP-atom23" elementType="O" x2="6.226" y2="-1.3672"/> <atom id="GUANOSINE-5DP-3DP-atom24" elementType="C" x2="6.4836" y2="-8.2487"/> <atom id="GUANOSINE-5DP-3DP-atom25" elementType="C" x2="7.6644" y2="-10.3089"/> <atom id="GUANOSINE-5DP-3DP-atom26" elementType="C" x2="8.8602" y2="-9.6272"/> <atom id="GUANOSINE-5DP-3DP-atom27" elementType="C" x2="8.8602" y2="-8.2487"/> <atom id="GUANOSINE-5DP-3DP-atom28" elementType="C" x2="7.9391" y2="-5.1353"/> <atom id="GUANOSINE-5DP-3DP-atom29" elementType="C" x2="9.7482" y2="-3.834"/> <atom id="GUANOSINE-5DP-3DP-atom30" elementType="C" x2="8.3796" y2="-3.834"/> <atom id="GUANOSINE-5DP-3DP-atom31" elementType="C" x2="10.1611" y2="-5.1151"/> <atom id="GUANOSINE-5DP-3DP-atom32" elementType="N" x2="6.4836" y2="-9.6272"/> <atom id="GUANOSINE-5DP-3DP-atom33" elementType="N" x2="10.1687" y2="-7.8322"/> <atom id="GUANOSINE-5DP-3DP-atom34" elementType="P" x2="1.3634" y2="-4.878"/> <atom id="GUANOSINE-5DP-3DP-atom35" elementType="P" x2="4.8626" y2="-1.371"/> <atom id="GUANOSINE-5DP-3DP-atom36" elementType="P" x2="4.0902" y2="-4.878"/> <atom id="GUANOSINE-5DP-3DP-atom37" elementType="P" x2="7.5894" y2="-1.3634"/> <bond id="GUANOSINE-5DP-3DP-bond1" atomRefs="GUANOSINE-5DP-3DP-atom31 GUANOSINE-5DP-3DP-atom33" order="1"/> <bond id="GUANOSINE-5DP-3DP-bond2" atomRefs="GUANOSINE-5DP-3DP-atom29 GUANOSINE-5DP-3DP-atom31" order="1"/> <bond id="GUANOSINE-5DP-3DP-bond3" atomRefs="GUANOSINE-5DP-3DP-atom29 GUANOSINE-5DP-3DP-atom30" order="1"/> <bond id="GUANOSINE-5DP-3DP-bond4" atomRefs="GUANOSINE-5DP-3DP-atom28 GUANOSINE-5DP-3DP-atom30" order="1"/> <bond id="GUANOSINE-5DP-3DP-bond5" atomRefs="GUANOSINE-5DP-3DP-atom27 GUANOSINE-5DP-3DP-atom33" order="A"/> <bond id="GUANOSINE-5DP-3DP-bond6" atomRefs="GUANOSINE-5DP-3DP-atom26 GUANOSINE-5DP-3DP-atom27" order="A"/> <bond id="GUANOSINE-5DP-3DP-bond7" atomRefs="GUANOSINE-5DP-3DP-atom32 GUANOSINE-5DP-3DP-atom25" order="A"/> <bond id="GUANOSINE-5DP-3DP-bond8" atomRefs="GUANOSINE-5DP-3DP-atom25 GUANOSINE-5DP-3DP-atom26" order="A"/> <bond id="GUANOSINE-5DP-3DP-bond9" atomRefs="GUANOSINE-5DP-3DP-atom24 GUANOSINE-5DP-3DP-atom32" order="A"/> <bond id="GUANOSINE-5DP-3DP-bond10" atomRefs="GUANOSINE-5DP-3DP-atom23 GUANOSINE-5DP-3DP-atom37" order="1"/> <bond id="GUANOSINE-5DP-3DP-bond11" atomRefs="GUANOSINE-5DP-3DP-atom23 GUANOSINE-5DP-3DP-atom35" order="1"/> <bond id="GUANOSINE-5DP-3DP-bond12" atomRefs="GUANOSINE-5DP-3DP-atom22 GUANOSINE-5DP-3DP-atom36" order="1"/> <bond id="GUANOSINE-5DP-3DP-bond13" atomRefs="GUANOSINE-5DP-3DP-atom22 GUANOSINE-5DP-3DP-atom34" order="1"/> <bond id="GUANOSINE-5DP-3DP-bond14" atomRefs="GUANOSINE-5DP-3DP-atom21 GUANOSINE-5DP-3DP-atom37" order="1"/> <bond id="GUANOSINE-5DP-3DP-bond15" atomRefs="GUANOSINE-5DP-3DP-atom30 GUANOSINE-5DP-3DP-atom21" order="1"/> <bond id="GUANOSINE-5DP-3DP-bond16" atomRefs="GUANOSINE-5DP-3DP-atom20 GUANOSINE-5DP-3DP-atom31" order="1"/> <bond id="GUANOSINE-5DP-3DP-bond17" atomRefs="GUANOSINE-5DP-3DP-atom20 GUANOSINE-5DP-3DP-atom28" order="1"/> <bond id="GUANOSINE-5DP-3DP-bond18" atomRefs="GUANOSINE-5DP-3DP-atom19 GUANOSINE-5DP-3DP-atom36" order="1"/> <bond id="GUANOSINE-5DP-3DP-bond19" atomRefs="GUANOSINE-5DP-3DP-atom27 GUANOSINE-5DP-3DP-atom18" order="A"/> <bond id="GUANOSINE-5DP-3DP-bond20" atomRefs="GUANOSINE-5DP-3DP-atom18 GUANOSINE-5DP-3DP-atom24" order="A"/> <bond id="GUANOSINE-5DP-3DP-bond21" atomRefs="GUANOSINE-5DP-3DP-atom17 GUANOSINE-5DP-3DP-atom26" order="A"/> <bond id="GUANOSINE-5DP-3DP-bond22" atomRefs="GUANOSINE-5DP-3DP-atom28 GUANOSINE-5DP-3DP-atom16" order="1"/> <bond id="GUANOSINE-5DP-3DP-bond23" atomRefs="GUANOSINE-5DP-3DP-atom16 GUANOSINE-5DP-3DP-atom19" order="1"/> <bond id="GUANOSINE-5DP-3DP-bond24" atomRefs="GUANOSINE-5DP-3DP-atom33 GUANOSINE-5DP-3DP-atom15" order="A"/> <bond id="GUANOSINE-5DP-3DP-bond25" atomRefs="GUANOSINE-5DP-3DP-atom15 GUANOSINE-5DP-3DP-atom17" order="A"/> <bond id="GUANOSINE-5DP-3DP-bond26" atomRefs="GUANOSINE-5DP-3DP-atom14 GUANOSINE-5DP-3DP-atom37" order="1"/> <bond id="GUANOSINE-5DP-3DP-bond27" atomRefs="GUANOSINE-5DP-3DP-atom13 GUANOSINE-5DP-3DP-atom36" order="1"/> <bond id="GUANOSINE-5DP-3DP-bond28" atomRefs="GUANOSINE-5DP-3DP-atom12 GUANOSINE-5DP-3DP-atom35" order="1"/> <bond id="GUANOSINE-5DP-3DP-bond29" atomRefs="GUANOSINE-5DP-3DP-atom11 GUANOSINE-5DP-3DP-atom35" order="1"/> <bond id="GUANOSINE-5DP-3DP-bond30" atomRefs="GUANOSINE-5DP-3DP-atom10 GUANOSINE-5DP-3DP-atom34" order="1"/> <bond id="GUANOSINE-5DP-3DP-bond31" atomRefs="GUANOSINE-5DP-3DP-atom9 GUANOSINE-5DP-3DP-atom34" order="1"/> <bond id="GUANOSINE-5DP-3DP-bond32" atomRefs="GUANOSINE-5DP-3DP-atom29 GUANOSINE-5DP-3DP-atom8" order="1"/> <bond id="GUANOSINE-5DP-3DP-bond33" atomRefs="GUANOSINE-5DP-3DP-atom7 GUANOSINE-5DP-3DP-atom37" order="2"/> <bond id="GUANOSINE-5DP-3DP-bond34" atomRefs="GUANOSINE-5DP-3DP-atom6 GUANOSINE-5DP-3DP-atom36" order="2"/> <bond id="GUANOSINE-5DP-3DP-bond35" atomRefs="GUANOSINE-5DP-3DP-atom5 GUANOSINE-5DP-3DP-atom35" order="2"/> <bond id="GUANOSINE-5DP-3DP-bond36" atomRefs="GUANOSINE-5DP-3DP-atom4 GUANOSINE-5DP-3DP-atom34" order="2"/> <bond id="GUANOSINE-5DP-3DP-bond37" atomRefs="GUANOSINE-5DP-3DP-atom3 GUANOSINE-5DP-3DP-atom25" order="2"/> <bond id="GUANOSINE-5DP-3DP-bond38" atomRefs="GUANOSINE-5DP-3DP-atom2 GUANOSINE-5DP-3DP-atom24" order="1"/> <bond id="GUANOSINE-5DP-3DP-bond39" atomRefs="GUANOSINE-5DP-3DP-atom1 GUANOSINE-5DP-3DP-atom32" order="1"/> <formula concise="C 10 H 17 N 5 O 17 P 4" formalCharge="0"/> 603.163 C(OP(=O)(O)OP(O)(O)=O)C1(OC(C(O)C1OP(=O)(O)OP(O)(O)=O)n2(c3(c(nc2)c(=O)[nH]c(n3)N)))
Glucose-1-phosphate thymidylyltransferase
UDP-glucose--hexose-1-phosphate uridylyltransferase
UTP--glucose-1-phosphate uridylyltransferase
UDP-N-acetylglucosamine pyrophosphorylase
N-acetylglucosamine-1-phosphate uridyltransferase
UTP--hexose-1-phosphate uridylyltransferase
Galactose-1-phosphate uridylyltransferase
<atom id="MYO-INOSITOL-atom1" elementType="O" x2="-1.6725" y2="0.8751"/> <atom id="MYO-INOSITOL-atom2" elementType="O" x2="-1.6428" y2="-0.9101"/> <atom id="MYO-INOSITOL-atom3" elementType="O" x2="-0.2033" y2="-1.7444"/> <atom id="MYO-INOSITOL-atom4" elementType="O" x2="1.2499" y2="-0.9388"/> <atom id="MYO-INOSITOL-atom5" elementType="O" x2="1.2201" y2="0.7704"/> <atom id="MYO-INOSITOL-atom6" elementType="O" x2="-0.2042" y2="1.6586"/> <atom id="MYO-INOSITOL-atom7" elementType="C" x2="-0.25" y2="0.7937"/> <atom id="MYO-INOSITOL-atom8" elementType="C" x2="0.4644" y2="0.3813"/> <atom id="MYO-INOSITOL-atom9" elementType="C" x2="0.4644" y2="-0.4437"/> <atom id="MYO-INOSITOL-atom10" elementType="C" x2="-0.25" y2="-0.8562"/> <atom id="MYO-INOSITOL-atom11" elementType="C" x2="-0.9644" y2="-0.4437"/> <atom id="MYO-INOSITOL-atom12" elementType="C" x2="-0.9644" y2="0.3813"/> <bond id="MYO-INOSITOL-bond1" atomRefs="MYO-INOSITOL-atom12 MYO-INOSITOL-atom1" order="1"/> <bond id="MYO-INOSITOL-bond2" atomRefs="MYO-INOSITOL-atom11 MYO-INOSITOL-atom2" order="1"/> <bond id="MYO-INOSITOL-bond3" atomRefs="MYO-INOSITOL-atom7 MYO-INOSITOL-atom6" order="1"/> <bond id="MYO-INOSITOL-bond4" atomRefs="MYO-INOSITOL-atom8 MYO-INOSITOL-atom5" order="1"/> <bond id="MYO-INOSITOL-bond5" atomRefs="MYO-INOSITOL-atom9 MYO-INOSITOL-atom4" order="1"/> <bond id="MYO-INOSITOL-bond6" atomRefs="MYO-INOSITOL-atom10 MYO-INOSITOL-atom3" order="1"/> <bond id="MYO-INOSITOL-bond7" atomRefs="MYO-INOSITOL-atom11 MYO-INOSITOL-atom12" order="1"/> <bond id="MYO-INOSITOL-bond8" atomRefs="MYO-INOSITOL-atom10 MYO-INOSITOL-atom11" order="1"/> <bond id="MYO-INOSITOL-bond9" atomRefs="MYO-INOSITOL-atom9 MYO-INOSITOL-atom10" order="1"/> <bond id="MYO-INOSITOL-bond10" atomRefs="MYO-INOSITOL-atom8 MYO-INOSITOL-atom9" order="1"/> <bond id="MYO-INOSITOL-bond11" atomRefs="MYO-INOSITOL-atom7 MYO-INOSITOL-atom12" order="1"/> <bond id="MYO-INOSITOL-bond12" atomRefs="MYO-INOSITOL-atom7 MYO-INOSITOL-atom8" order="1"/> <formula concise="C 6 H 12 O 6" formalCharge="0"/> 180.157 C1(C(O)C(O)C(O)C(O)C(O)1)(O)
CDP-diacylglycerol--inositol 3-phosphatidyltransferase
<cml> <molecule id="L-1-phosphatidyl-inositols" title="an L-1-phosphatidyl-inositol" dictRef="dictL-1-phosphatidyl-inositols"> <atomArray> <atom id="L-1-phosphatidyl-inositols-atom1" elementType="H" x2="2.7725" y2="-11.338"/> <atom id="L-1-phosphatidyl-inositols-atom2" elementType="O" x2="5.6117" y2="-13.6691"/> <atom id="L-1-phosphatidyl-inositols-atom3" elementType="O" x2="2.1113" y2="-12.5476"/> <atom id="L-1-phosphatidyl-inositols-atom4" elementType="O" x2="5.2675" y2="-7.0983"/> <atom id="L-1-phosphatidyl-inositols-atom5" elementType="O" x2="3.9955" y2="0.0"/> <atom id="L-1-phosphatidyl-inositols-atom6" elementType="O" x2="6.496" y2="-1.0223"/> <atom id="L-1-phosphatidyl-inositols-atom7" elementType="O" x2="1.8625" y2="-1.6624"/> <atom id="L-1-phosphatidyl-inositols-atom8" elementType="O" x2="6.856" y2="-3.6786"/> <atom id="L-1-phosphatidyl-inositols-atom9" elementType="O" x2="2.2352" y2="-4.3511"/> <atom id="L-1-phosphatidyl-inositols-atom10" elementType="O" x2="2.7614" y2="-6.0456"/> <atom id="L-1-phosphatidyl-inositols-atom11" elementType="R" x2="7.6667" y2="-12.4177"/> <atom id="L-1-phosphatidyl-inositols-atom12" elementType="R" x2="0.0" y2="-11.3934"/> <atom id="L-1-phosphatidyl-inositols-atom13" elementType="C" x2="4.1665" y2="-11.2961"/> <atom id="L-1-phosphatidyl-inositols-atom14" elementType="C" x2="4.1103" y2="-8.8905"/> <atom id="L-1-phosphatidyl-inositols-atom15" elementType="O" x2="5.5553" y2="-11.2635"/> <atom id="L-1-phosphatidyl-inositols-atom16" elementType="O" x2="3.3878" y2="-7.7039"/> <atom id="L-1-phosphatidyl-inositols-atom17" elementType="O" x2="2.0551" y2="-10.142"/> <atom id="L-1-phosphatidyl-inositols-atom18" elementType="O" x2="4.7441" y2="-5.3453"/> <atom id="L-1-phosphatidyl-inositols-atom19" elementType="C" x2="6.2779" y2="-12.4501"/> <atom id="L-1-phosphatidyl-inositols-atom20" elementType="C" x2="1.3889" y2="-11.361"/> <atom id="L-1-phosphatidyl-inositols-atom21" elementType="C" x2="4.1789" y2="-1.3317"/> <atom id="L-1-phosphatidyl-inositols-atom22" elementType="C" x2="5.4344" y2="-1.8469"/> <atom id="L-1-phosphatidyl-inositols-atom23" elementType="C" x2="3.1078" y2="-2.1685"/> <atom id="L-1-phosphatidyl-inositols-atom24" elementType="C" x2="5.6216" y2="-3.1782"/> <atom id="L-1-phosphatidyl-inositols-atom25" elementType="C" x2="3.2922" y2="-3.5206"/> <atom id="L-1-phosphatidyl-inositols-atom26" elementType="C" x2="4.5506" y2="-4.015"/> <atom id="L-1-phosphatidyl-inositols-atom27" elementType="C" x2="3.444" y2="-10.1095"/> <atom id="L-1-phosphatidyl-inositols-atom28" elementType="P" x2="4.0404" y2="-6.51"/> </atomArray> <bondArray> <bond id="L-1-phosphatidyl-inositols-bond1" atomRefs="L-1-phosphatidyl-inositols-atom25 L-1-phosphatidyl-inositols-atom26" order="1"/> <bond id="L-1-phosphatidyl-inositols-bond2" atomRefs="L-1-phosphatidyl-inositols-atom24 L-1-phosphatidyl-inositols-atom26" order="1"/> <bond id="L-1-phosphatidyl-inositols-bond3" atomRefs="L-1-phosphatidyl-inositols-atom23 L-1-phosphatidyl-inositols-atom25" order="1"/> <bond id="L-1-phosphatidyl-inositols-bond4" atomRefs="L-1-phosphatidyl-inositols-atom22 L-1-phosphatidyl-inositols-atom24" order="1"/> <bond id="L-1-phosphatidyl-inositols-bond5" atomRefs="L-1-phosphatidyl-inositols-atom21 L-1-phosphatidyl-inositols-atom23" order="1"/> <bond id="L-1-phosphatidyl-inositols-bond6" atomRefs="L-1-phosphatidyl-inositols-atom21 L-1-phosphatidyl-inositols-atom22" order="1"/> <bond id="L-1-phosphatidyl-inositols-bond7" atomRefs="L-1-phosphatidyl-inositols-atom18 L-1-phosphatidyl-inositols-atom28" order="1"/> <bond id="L-1-phosphatidyl-inositols-bond8" atomRefs="L-1-phosphatidyl-inositols-atom26 L-1-phosphatidyl-inositols-atom18" order="1"/> <bond id="L-1-phosphatidyl-inositols-bond9" atomRefs="L-1-phosphatidyl-inositols-atom27 L-1-phosphatidyl-inositols-atom17" order="1"/> <bond id="L-1-phosphatidyl-inositols-bond10" atomRefs="L-1-phosphatidyl-inositols-atom17 L-1-phosphatidyl-inositols-atom20" order="1"/> <bond id="L-1-phosphatidyl-inositols-bond11" atomRefs="L-1-phosphatidyl-inositols-atom16 L-1-phosphatidyl-inositols-atom28" order="1"/> <bond id="L-1-phosphatidyl-inositols-bond12" atomRefs="L-1-phosphatidyl-inositols-atom15 L-1-phosphatidyl-inositols-atom19" order="1"/> <bond id="L-1-phosphatidyl-inositols-bond13" atomRefs="L-1-phosphatidyl-inositols-atom14 L-1-phosphatidyl-inositols-atom27" order="1"/> <bond id="L-1-phosphatidyl-inositols-bond14" atomRefs="L-1-phosphatidyl-inositols-atom14 L-1-phosphatidyl-inositols-atom16" order="1"/> <bond id="L-1-phosphatidyl-inositols-bond15" atomRefs="L-1-phosphatidyl-inositols-atom13 L-1-phosphatidyl-inositols-atom27" order="1"/> <bond id="L-1-phosphatidyl-inositols-bond16" atomRefs="L-1-phosphatidyl-inositols-atom13 L-1-phosphatidyl-inositols-atom15" order="1"/> <bond id="L-1-phosphatidyl-inositols-bond17" atomRefs="L-1-phosphatidyl-inositols-atom12 L-1-phosphatidyl-inositols-atom20" order="1"/> <bond id="L-1-phosphatidyl-inositols-bond18" atomRefs="L-1-phosphatidyl-inositols-atom11 L-1-phosphatidyl-inositols-atom19" order="1"/> <bond id="L-1-phosphatidyl-inositols-bond19" atomRefs="L-1-phosphatidyl-inositols-atom10 L-1-phosphatidyl-inositols-atom28" order="1"/> <bond id="L-1-phosphatidyl-inositols-bond20" atomRefs="L-1-phosphatidyl-inositols-atom25 L-1-phosphatidyl-inositols-atom9" order="1"/> <bond id="L-1-phosphatidyl-inositols-bond21" atomRefs="L-1-phosphatidyl-inositols-atom24 L-1-phosphatidyl-inositols-atom8" order="1"/> <bond id="L-1-phosphatidyl-inositols-bond22" atomRefs="L-1-phosphatidyl-inositols-atom23 L-1-phosphatidyl-inositols-atom7" order="1"/> <bond id="L-1-phosphatidyl-inositols-bond23" atomRefs="L-1-phosphatidyl-inositols-atom22 L-1-phosphatidyl-inositols-atom6" order="1"/> <bond id="L-1-phosphatidyl-inositols-bond24" atomRefs="L-1-phosphatidyl-inositols-atom21 L-1-phosphatidyl-inositols-atom5" order="1"/> <bond id="L-1-phosphatidyl-inositols-bond25" atomRefs="L-1-phosphatidyl-inositols-atom4 L-1-phosphatidyl-inositols-atom28" order="2"/> <bond id="L-1-phosphatidyl-inositols-bond26" atomRefs="L-1-phosphatidyl-inositols-atom3 L-1-phosphatidyl-inositols-atom20" order="2"/> <bond id="L-1-phosphatidyl-inositols-bond27" atomRefs="L-1-phosphatidyl-inositols-atom2 L-1-phosphatidyl-inositols-atom19" order="2"/> <bond id="L-1-phosphatidyl-inositols-bond28" atomRefs="L-1-phosphatidyl-inositols-atom27 L-1-phosphatidyl-inositols-atom1" order="1"/> </bondArray> <formula concise="C 11 H 17 O 13 R 2 P 1" formalCharge="0"/> </molecule> </cml>
CDP-diacylglyceride--inositol phosphatidyltransferase
<atom id="CDP-CHOLINE-atom1" elementType="O" x2="0.0032362938" y2="-0.09385109"/> <atom id="CDP-CHOLINE-atom2" elementType="N" x2="-0.88349515" y2="-0.33009708" formalCharge="1"/> <atom id="CDP-CHOLINE-atom3" elementType="O" x2="0.5566343" y2="-0.39805824"/> <atom id="CDP-CHOLINE-atom4" elementType="O" x2="-0.46925563" y2="-0.25242716"/> <atom id="CDP-CHOLINE-atom5" elementType="O" x2="0.0032362938" y2="-0.41100323"/> <atom id="CDP-CHOLINE-atom6" elementType="O" x2="0.1618123" y2="-0.25242716"/> <atom id="CDP-CHOLINE-atom7" elementType="O" x2="-0.31391585" y2="-0.09385109"/> <atom id="CDP-CHOLINE-atom8" elementType="P" x2="-0.31391585" y2="-0.25242716"/> <atom id="CDP-CHOLINE-atom9" elementType="C" x2="0.6343043" y2="-0.15533978"/> <atom id="CDP-CHOLINE-atom10" elementType="O" x2="-0.31391585" y2="-0.41100323"/> <atom id="CDP-CHOLINE-atom11" elementType="N" x2="0.7216829" y2="-0.763754"/> <atom id="CDP-CHOLINE-atom12" elementType="P" x2="0.0032362938" y2="-0.25242716"/> <atom id="CDP-CHOLINE-atom13" elementType="C" x2="0.9967638" y2="-0.763754"/> <atom id="CDP-CHOLINE-atom14" elementType="C" x2="0.47572815" y2="-0.15533978"/> <atom id="CDP-CHOLINE-atom15" elementType="C" x2="0.2783172" y2="-0.355987"/> <atom id="CDP-CHOLINE-atom16" elementType="C" x2="-0.79288024" y2="-0.4530744"/> <atom id="CDP-CHOLINE-atom17" elementType="O" x2="0.38187706" y2="-0.029126167"/> <atom id="CDP-CHOLINE-atom18" elementType="N" x2="0.8608415" y2="-0.52427185"/> <atom id="CDP-CHOLINE-atom19" elementType="C" x2="0.8608415" y2="-0.8414239"/> <atom id="CDP-CHOLINE-atom20" elementType="C" x2="0.9967638" y2="-0.605178"/> <atom id="CDP-CHOLINE-atom21" elementType="C" x2="-0.9773463" y2="-0.20388347"/> <atom id="CDP-CHOLINE-atom22" elementType="C" x2="0.682848" y2="-0.30744332"/> <atom id="CDP-CHOLINE-atom23" elementType="O" x2="0.7281554" y2="-0.029126167"/> <atom id="CDP-CHOLINE-atom24" elementType="N" x2="0.8608415" y2="-1.0"/> <atom id="CDP-CHOLINE-atom25" elementType="C" x2="0.7216829" y2="-0.605178"/> <atom id="CDP-CHOLINE-atom26" elementType="C" x2="-0.7443366" y2="-0.25242716"/> <atom id="CDP-CHOLINE-atom27" elementType="C" x2="0.42718446" y2="-0.30744332"/> <atom id="CDP-CHOLINE-atom28" elementType="C" x2="-1.0" y2="-0.43365693"/> <atom id="CDP-CHOLINE-atom29" elementType="O" x2="-0.15533978" y2="-0.25242716"/> <atom id="CDP-CHOLINE-atom30" elementType="O" x2="0.5857606" y2="-0.52427185"/> <atom id="CDP-CHOLINE-atom31" elementType="C" x2="-0.60841423" y2="-0.33009708"/> <bond id="CDP-CHOLINE-bond1" atomRefs="CDP-CHOLINE-atom31 CDP-CHOLINE-atom26" order="1"/> <bond id="CDP-CHOLINE-bond2" atomRefs="CDP-CHOLINE-atom30 CDP-CHOLINE-atom25" order="2"/> <bond id="CDP-CHOLINE-bond3" atomRefs="CDP-CHOLINE-atom29 CDP-CHOLINE-atom8" order="1"/> <bond id="CDP-CHOLINE-bond4" atomRefs="CDP-CHOLINE-atom29 CDP-CHOLINE-atom12" order="1"/> <bond id="CDP-CHOLINE-bond5" atomRefs="CDP-CHOLINE-atom27 CDP-CHOLINE-atom15" order="1"/> <bond id="CDP-CHOLINE-bond6" atomRefs="CDP-CHOLINE-atom26 CDP-CHOLINE-atom2" order="1"/> <bond id="CDP-CHOLINE-bond7" atomRefs="CDP-CHOLINE-atom25 CDP-CHOLINE-atom18" order="A"/> <bond id="CDP-CHOLINE-bond8" atomRefs="CDP-CHOLINE-atom24 CDP-CHOLINE-atom19" order="1"/> <bond id="CDP-CHOLINE-bond9" atomRefs="CDP-CHOLINE-atom22 CDP-CHOLINE-atom18" order="1"/> <bond id="CDP-CHOLINE-bond10" atomRefs="CDP-CHOLINE-atom20 CDP-CHOLINE-atom13" order="A"/> <bond id="CDP-CHOLINE-bond11" atomRefs="CDP-CHOLINE-atom19 CDP-CHOLINE-atom11" order="A"/> <bond id="CDP-CHOLINE-bond12" atomRefs="CDP-CHOLINE-atom18 CDP-CHOLINE-atom20" order="A"/> <bond id="CDP-CHOLINE-bond13" atomRefs="CDP-CHOLINE-atom15 CDP-CHOLINE-atom6" order="1"/> <bond id="CDP-CHOLINE-bond14" atomRefs="CDP-CHOLINE-atom14 CDP-CHOLINE-atom27" order="1"/> <bond id="CDP-CHOLINE-bond15" atomRefs="CDP-CHOLINE-atom14 CDP-CHOLINE-atom9" order="1"/> <bond id="CDP-CHOLINE-bond16" atomRefs="CDP-CHOLINE-atom14 CDP-CHOLINE-atom17" order="1"/> <bond id="CDP-CHOLINE-bond17" atomRefs="CDP-CHOLINE-atom13 CDP-CHOLINE-atom19" order="A"/> <bond id="CDP-CHOLINE-bond18" atomRefs="CDP-CHOLINE-atom11 CDP-CHOLINE-atom25" order="A"/> <bond id="CDP-CHOLINE-bond19" atomRefs="CDP-CHOLINE-atom10 CDP-CHOLINE-atom8" order="2"/> <bond id="CDP-CHOLINE-bond20" atomRefs="CDP-CHOLINE-atom9 CDP-CHOLINE-atom22" order="1"/> <bond id="CDP-CHOLINE-bond21" atomRefs="CDP-CHOLINE-atom9 CDP-CHOLINE-atom23" order="1"/> <bond id="CDP-CHOLINE-bond22" atomRefs="CDP-CHOLINE-atom7 CDP-CHOLINE-atom8" order="1"/> <bond id="CDP-CHOLINE-bond23" atomRefs="CDP-CHOLINE-atom6 CDP-CHOLINE-atom12" order="1"/> <bond id="CDP-CHOLINE-bond24" atomRefs="CDP-CHOLINE-atom5 CDP-CHOLINE-atom12" order="2"/> <bond id="CDP-CHOLINE-bond25" atomRefs="CDP-CHOLINE-atom4 CDP-CHOLINE-atom8" order="1"/> <bond id="CDP-CHOLINE-bond26" atomRefs="CDP-CHOLINE-atom4 CDP-CHOLINE-atom31" order="1"/> <bond id="CDP-CHOLINE-bond27" atomRefs="CDP-CHOLINE-atom3 CDP-CHOLINE-atom22" order="1"/> <bond id="CDP-CHOLINE-bond28" atomRefs="CDP-CHOLINE-atom3 CDP-CHOLINE-atom27" order="1"/> <bond id="CDP-CHOLINE-bond29" atomRefs="CDP-CHOLINE-atom2 CDP-CHOLINE-atom21" order="1"/> <bond id="CDP-CHOLINE-bond30" atomRefs="CDP-CHOLINE-atom2 CDP-CHOLINE-atom16" order="1"/> <bond id="CDP-CHOLINE-bond31" atomRefs="CDP-CHOLINE-atom2 CDP-CHOLINE-atom28" order="1"/> <bond id="CDP-CHOLINE-bond32" atomRefs="CDP-CHOLINE-atom1 CDP-CHOLINE-atom12" order="1"/> <formula concise="C 14 H 27 N 4 O 11 P 2" formalCharge="0"/> 489.335 C(OP(O)(=O)OP(O)(=O)OCC[N+](C)(C)C)C1(OC(C(O)C1O)n2(c(=O)nc(N)cc2))
Diacylglycerol cholinephosphotransferase
1-alkyl-2-acetylglycerol cholinephosphotransferase
Alkylacylglycerol cholinephosphotransferase
Phosphorylcholine--glyceride transferase
<cml> <molecule id="L-1-PHOSPHATIDYL-GLYCEROL" title="an L-1-phosphatidyl-glycerol" dictRef="dictL-1-PHOSPHATIDYL-GLYCEROL"> <atomArray> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-atom1" elementType="O" x2="6.4302" y2="-3.7124"/> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-atom2" elementType="O" x2="4.2868" y2="-3.2999"/> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-atom3" elementType="O" x2="7.9813" y2="0.0"/> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-atom4" elementType="O" x2="7.9899" y2="-1.6496"/> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-atom5" elementType="R1" x2="7.8592" y2="-3.7124"/> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-atom6" elementType="C" x2="5.7157" y2="-2.4749"/> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-atom7" elementType="C" x2="6.4302" y2="-1.2374"/> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-atom8" elementType="O" x2="5.7157" y2="-3.2999"/> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-atom9" elementType="O" x2="7.1447" y2="-0.8249"/> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-atom10" elementType="O" x2="7.1447" y2="-2.4749"/> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-atom11" elementType="C" x2="7.1447" y2="-3.2999"/> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-atom12" elementType="C" x2="5.0013" y2="-3.7124"/> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-atom13" elementType="C" x2="6.4302" y2="-2.0624"/> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-atom14" elementType="P" x2="7.9697" y2="-0.8249"/> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-atom15" elementType="O" x2="8.7947" y2="-0.8249"/> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-atom16" elementType="C" x2="9.2072" y2="-1.5394"/> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-atom17" elementType="C" x2="10.0322" y2="-1.5394"/> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-atom18" elementType="C" x2="10.4447" y2="-2.2539"/> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-atom19" elementType="O" x2="10.4447" y2="-0.8249"/> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-atom20" elementType="O" x2="11.2697" y2="-2.2539"/> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-atom21" elementType="R2" x2="5.0013" y2="-4.5374"/> </atomArray> <bondArray> <bond id="L-1-PHOSPHATIDYL-GLYCEROL-bond1" atomRefs="L-1-PHOSPHATIDYL-GLYCEROL-atom18 L-1-PHOSPHATIDYL-GLYCEROL-atom20" order="1"/> <bond id="L-1-PHOSPHATIDYL-GLYCEROL-bond2" atomRefs="L-1-PHOSPHATIDYL-GLYCEROL-atom17 L-1-PHOSPHATIDYL-GLYCEROL-atom19" order="1"/> <bond id="L-1-PHOSPHATIDYL-GLYCEROL-bond3" atomRefs="L-1-PHOSPHATIDYL-GLYCEROL-atom17 L-1-PHOSPHATIDYL-GLYCEROL-atom18" order="1"/> <bond id="L-1-PHOSPHATIDYL-GLYCEROL-bond4" atomRefs="L-1-PHOSPHATIDYL-GLYCEROL-atom16 L-1-PHOSPHATIDYL-GLYCEROL-atom17" order="1"/> <bond id="L-1-PHOSPHATIDYL-GLYCEROL-bond5" atomRefs="L-1-PHOSPHATIDYL-GLYCEROL-atom15 L-1-PHOSPHATIDYL-GLYCEROL-atom16" order="1"/> <bond id="L-1-PHOSPHATIDYL-GLYCEROL-bond6" atomRefs="L-1-PHOSPHATIDYL-GLYCEROL-atom1 L-1-PHOSPHATIDYL-GLYCEROL-atom11" order="2"/> <bond id="L-1-PHOSPHATIDYL-GLYCEROL-bond7" atomRefs="L-1-PHOSPHATIDYL-GLYCEROL-atom2 L-1-PHOSPHATIDYL-GLYCEROL-atom12" order="2"/> <bond id="L-1-PHOSPHATIDYL-GLYCEROL-bond8" atomRefs="L-1-PHOSPHATIDYL-GLYCEROL-atom3 L-1-PHOSPHATIDYL-GLYCEROL-atom14" order="2"/> <bond id="L-1-PHOSPHATIDYL-GLYCEROL-bond9" atomRefs="L-1-PHOSPHATIDYL-GLYCEROL-atom4 L-1-PHOSPHATIDYL-GLYCEROL-atom14" order="1"/> <bond id="L-1-PHOSPHATIDYL-GLYCEROL-bond10" atomRefs="L-1-PHOSPHATIDYL-GLYCEROL-atom15 L-1-PHOSPHATIDYL-GLYCEROL-atom14" order="1"/> <bond id="L-1-PHOSPHATIDYL-GLYCEROL-bond11" atomRefs="L-1-PHOSPHATIDYL-GLYCEROL-atom5 L-1-PHOSPHATIDYL-GLYCEROL-atom11" order="1"/> <bond id="L-1-PHOSPHATIDYL-GLYCEROL-bond12" atomRefs="L-1-PHOSPHATIDYL-GLYCEROL-atom6 L-1-PHOSPHATIDYL-GLYCEROL-atom8" order="1"/> <bond id="L-1-PHOSPHATIDYL-GLYCEROL-bond13" atomRefs="L-1-PHOSPHATIDYL-GLYCEROL-atom6 L-1-PHOSPHATIDYL-GLYCEROL-atom13" order="1"/> <bond id="L-1-PHOSPHATIDYL-GLYCEROL-bond14" atomRefs="L-1-PHOSPHATIDYL-GLYCEROL-atom7 L-1-PHOSPHATIDYL-GLYCEROL-atom9" order="1"/> <bond id="L-1-PHOSPHATIDYL-GLYCEROL-bond15" atomRefs="L-1-PHOSPHATIDYL-GLYCEROL-atom7 L-1-PHOSPHATIDYL-GLYCEROL-atom13" order="1"/> <bond id="L-1-PHOSPHATIDYL-GLYCEROL-bond16" atomRefs="L-1-PHOSPHATIDYL-GLYCEROL-atom8 L-1-PHOSPHATIDYL-GLYCEROL-atom12" order="1"/> <bond id="L-1-PHOSPHATIDYL-GLYCEROL-bond17" atomRefs="L-1-PHOSPHATIDYL-GLYCEROL-atom9 L-1-PHOSPHATIDYL-GLYCEROL-atom14" order="1"/> <bond id="L-1-PHOSPHATIDYL-GLYCEROL-bond18" atomRefs="L-1-PHOSPHATIDYL-GLYCEROL-atom21 L-1-PHOSPHATIDYL-GLYCEROL-atom12" order="1"/> <bond id="L-1-PHOSPHATIDYL-GLYCEROL-bond19" atomRefs="L-1-PHOSPHATIDYL-GLYCEROL-atom10 L-1-PHOSPHATIDYL-GLYCEROL-atom11" order="1"/> <bond id="L-1-PHOSPHATIDYL-GLYCEROL-bond20" atomRefs="L-1-PHOSPHATIDYL-GLYCEROL-atom10 L-1-PHOSPHATIDYL-GLYCEROL-atom13" order="1"/> </bondArray> <formula concise="C 8 H 13 O 10 R1 1 R2 1 P 1" formalCharge="0"/> <string title="smiles">C(OC(=O)[R2])C(OC(=O)[R1])COP(O)(=O)OCC(O)CO</string> </molecule> </cml>
<cml> <molecule id="CARDIOLIPIN" title="cardiolipin" dictRef="dictCARDIOLIPIN"> <atomArray> <atom id="CARDIOLIPIN-atom1" elementType="O" x2="0.30992746" y2="-0.6876513"/> <atom id="CARDIOLIPIN-atom2" elementType="C" x2="0.8571429" y2="-0.8789346"/> <atom id="CARDIOLIPIN-atom3" elementType="O" x2="-0.7723971" y2="-0.73365617"/> <atom id="CARDIOLIPIN-atom4" elementType="C" x2="0.598063" y2="-0.5835351"/> <atom id="CARDIOLIPIN-atom5" elementType="C" x2="-0.65375304" y2="-0.73365617"/> <atom id="CARDIOLIPIN-atom6" elementType="O" x2="0.5012107" y2="-0.73365617"/> <atom id="CARDIOLIPIN-atom7" elementType="O" x2="0.45762718" y2="-0.5835351"/> <atom id="CARDIOLIPIN-atom8" elementType="O" x2="0.30992746" y2="-0.47699755"/> <atom id="CARDIOLIPIN-atom9" elementType="R" x2="0.99757874" y2="-0.8789346"/> <atom id="CARDIOLIPIN-atom10" elementType="O" x2="-0.43341404" y2="-1.0"/> <atom id="CARDIOLIPIN-atom11" elementType="C" x2="-0.43341404" y2="-0.8789346"/> <atom id="CARDIOLIPIN-atom12" elementType="O" x2="-0.31476992" y2="-0.5835351"/> <atom id="CARDIOLIPIN-atom13" elementType="R" x2="-1.0" y2="-0.73365617"/> <atom id="CARDIOLIPIN-atom14" elementType="P" x2="0.30992746" y2="-0.5835351"/> <atom id="CARDIOLIPIN-atom15" elementType="C" x2="-0.88135594" y2="-0.73365617"/> <atom id="CARDIOLIPIN-atom16" elementType="C" x2="-0.65375304" y2="-0.8789346"/> <atom id="CARDIOLIPIN-atom17" elementType="R" x2="-0.31961256" y2="-0.8789346"/> <atom id="CARDIOLIPIN-atom18" elementType="O" x2="0.38498795" y2="-0.8498789"/> <atom id="CARDIOLIPIN-atom19" elementType="O" x2="-0.05811131" y2="-0.6876513"/> <atom id="CARDIOLIPIN-atom20" elementType="C" x2="0.077481866" y2="-0.5835351"/> <atom id="CARDIOLIPIN-atom21" elementType="C" x2="-0.05811131" y2="-0.5835351"/> <atom id="CARDIOLIPIN-atom22" elementType="C" x2="0.598063" y2="-0.73365617"/> <atom id="CARDIOLIPIN-atom23" elementType="O" x2="-0.88135594" y2="-0.8353511"/> <atom id="CARDIOLIPIN-atom24" elementType="R" x2="0.26392257" y2="-0.73365617"/> <atom id="CARDIOLIPIN-atom25" elementType="O" x2="-0.53995156" y2="-0.5835351"/> <atom id="CARDIOLIPIN-atom26" elementType="O" x2="0.7312349" y2="-0.8789346"/> <atom id="CARDIOLIPIN-atom27" elementType="O" x2="-0.43099272" y2="-0.47699755"/> <atom id="CARDIOLIPIN-atom28" elementType="O" x2="-0.5496368" y2="-0.8789346"/> <atom id="CARDIOLIPIN-atom29" elementType="O" x2="0.18401945" y2="-0.5835351"/> <atom id="CARDIOLIPIN-atom30" elementType="O" x2="-0.43099272" y2="-0.6876513"/> <atom id="CARDIOLIPIN-atom31" elementType="O" x2="0.8571429" y2="-1.0"/> <atom id="CARDIOLIPIN-atom32" elementType="P" x2="-0.43099272" y2="-0.5835351"/> <atom id="CARDIOLIPIN-atom33" elementType="C" x2="-0.18159801" y2="-0.5835351"/> <atom id="CARDIOLIPIN-atom34" elementType="C" x2="0.598063" y2="-0.8789346"/> <atom id="CARDIOLIPIN-atom35" elementType="C" x2="0.38498795" y2="-0.73365617"/> <atom id="CARDIOLIPIN-atom36" elementType="C" x2="-0.65375304" y2="-0.5835351"/> </atomArray> <bondArray> <bond id="CARDIOLIPIN-bond1" atomRefs="CARDIOLIPIN-atom35 CARDIOLIPIN-atom24" order="1"/> <bond id="CARDIOLIPIN-bond2" atomRefs="CARDIOLIPIN-atom35 CARDIOLIPIN-atom18" order="1"/> <bond id="CARDIOLIPIN-bond3" atomRefs="CARDIOLIPIN-atom34 CARDIOLIPIN-atom26" order="1"/> <bond id="CARDIOLIPIN-bond4" atomRefs="CARDIOLIPIN-atom33 CARDIOLIPIN-atom12" order="1"/> <bond id="CARDIOLIPIN-bond5" atomRefs="CARDIOLIPIN-atom32 CARDIOLIPIN-atom27" order="1"/> <bond id="CARDIOLIPIN-bond6" atomRefs="CARDIOLIPIN-atom32 CARDIOLIPIN-atom25" order="1"/> <bond id="CARDIOLIPIN-bond7" atomRefs="CARDIOLIPIN-atom30 CARDIOLIPIN-atom32" order="2"/> <bond id="CARDIOLIPIN-bond8" atomRefs="CARDIOLIPIN-atom29 CARDIOLIPIN-atom14" order="1"/> <bond id="CARDIOLIPIN-bond9" atomRefs="CARDIOLIPIN-atom28 CARDIOLIPIN-atom16" order="1"/> <bond id="CARDIOLIPIN-bond10" atomRefs="CARDIOLIPIN-atom26 CARDIOLIPIN-atom2" order="1"/> <bond id="CARDIOLIPIN-bond11" atomRefs="CARDIOLIPIN-atom25 CARDIOLIPIN-atom36" order="1"/> <bond id="CARDIOLIPIN-bond12" atomRefs="CARDIOLIPIN-atom22 CARDIOLIPIN-atom34" order="1"/> <bond id="CARDIOLIPIN-bond13" atomRefs="CARDIOLIPIN-atom22 CARDIOLIPIN-atom6" order="1"/> <bond id="CARDIOLIPIN-bond14" atomRefs="CARDIOLIPIN-atom21 CARDIOLIPIN-atom19" order="1"/> <bond id="CARDIOLIPIN-bond15" atomRefs="CARDIOLIPIN-atom21 CARDIOLIPIN-atom33" order="1"/> <bond id="CARDIOLIPIN-bond16" atomRefs="CARDIOLIPIN-atom20 CARDIOLIPIN-atom29" order="1"/> <bond id="CARDIOLIPIN-bond17" atomRefs="CARDIOLIPIN-atom20 CARDIOLIPIN-atom21" order="1"/> <bond id="CARDIOLIPIN-bond18" atomRefs="CARDIOLIPIN-atom17 CARDIOLIPIN-atom11" order="1"/> <bond id="CARDIOLIPIN-bond19" atomRefs="CARDIOLIPIN-atom15 CARDIOLIPIN-atom23" order="2"/> <bond id="CARDIOLIPIN-bond20" atomRefs="CARDIOLIPIN-atom14 CARDIOLIPIN-atom1" order="2"/> <bond id="CARDIOLIPIN-bond21" atomRefs="CARDIOLIPIN-atom14 CARDIOLIPIN-atom8" order="1"/> <bond id="CARDIOLIPIN-bond22" atomRefs="CARDIOLIPIN-atom14 CARDIOLIPIN-atom7" order="1"/> <bond id="CARDIOLIPIN-bond23" atomRefs="CARDIOLIPIN-atom13 CARDIOLIPIN-atom15" order="1"/> <bond id="CARDIOLIPIN-bond24" atomRefs="CARDIOLIPIN-atom12 CARDIOLIPIN-atom32" order="1"/> <bond id="CARDIOLIPIN-bond25" atomRefs="CARDIOLIPIN-atom11 CARDIOLIPIN-atom28" order="1"/> <bond id="CARDIOLIPIN-bond26" atomRefs="CARDIOLIPIN-atom10 CARDIOLIPIN-atom11" order="2"/> <bond id="CARDIOLIPIN-bond27" atomRefs="CARDIOLIPIN-atom7 CARDIOLIPIN-atom4" order="1"/> <bond id="CARDIOLIPIN-bond28" atomRefs="CARDIOLIPIN-atom6 CARDIOLIPIN-atom35" order="1"/> <bond id="CARDIOLIPIN-bond29" atomRefs="CARDIOLIPIN-atom5 CARDIOLIPIN-atom36" order="1"/> <bond id="CARDIOLIPIN-bond30" atomRefs="CARDIOLIPIN-atom5 CARDIOLIPIN-atom16" order="1"/> <bond id="CARDIOLIPIN-bond31" atomRefs="CARDIOLIPIN-atom4 CARDIOLIPIN-atom22" order="1"/> <bond id="CARDIOLIPIN-bond32" atomRefs="CARDIOLIPIN-atom3 CARDIOLIPIN-atom5" order="1"/> <bond id="CARDIOLIPIN-bond33" atomRefs="CARDIOLIPIN-atom3 CARDIOLIPIN-atom15" order="1"/> <bond id="CARDIOLIPIN-bond34" atomRefs="CARDIOLIPIN-atom2 CARDIOLIPIN-atom31" order="2"/> <bond id="CARDIOLIPIN-bond35" atomRefs="CARDIOLIPIN-atom2 CARDIOLIPIN-atom9" order="1"/> </bondArray> <formula concise="C 13 H 20 O 17 R 4 P 2" formalCharge="0"/> </molecule> </cml>
<atom id="CDP-ETHANOLAMINE-atom1" elementType="N" x2="8.605" y2="-5.0583"/> <atom id="CDP-ETHANOLAMINE-atom2" elementType="O" x2="7.178" y2="-2.5848"/> <atom id="CDP-ETHANOLAMINE-atom3" elementType="O" x2="4.1446" y2="-1.9841"/> <atom id="CDP-ETHANOLAMINE-atom4" elementType="O" x2="2.4999" y2="-1.9841"/> <atom id="CDP-ETHANOLAMINE-atom5" elementType="O" x2="6.1238" y2="-0.0013"/> <atom id="CDP-ETHANOLAMINE-atom6" elementType="O" x2="7.9191" y2="0.0"/> <atom id="CDP-ETHANOLAMINE-atom7" elementType="O" x2="4.142" y2="-0.3404"/> <atom id="CDP-ETHANOLAMINE-atom8" elementType="O" x2="2.4999" y2="-0.3404"/> <atom id="CDP-ETHANOLAMINE-atom9" elementType="C" x2="9.3281" y2="-3.8255"/> <atom id="CDP-ETHANOLAMINE-atom10" elementType="C" x2="9.3281" y2="-2.9944"/> <atom id="CDP-ETHANOLAMINE-atom11" elementType="C" x2="5.5793" y2="-1.7078"/> <atom id="CDP-ETHANOLAMINE-atom12" elementType="N" x2="7.8955" y2="-3.8255"/> <atom id="CDP-ETHANOLAMINE-atom13" elementType="O" x2="4.9663" y2="-1.1605"/> <atom id="CDP-ETHANOLAMINE-atom14" elementType="O" x2="7.0201" y2="-1.9293"/> <atom id="CDP-ETHANOLAMINE-atom15" elementType="O" x2="3.3218" y2="-1.1623"/> <atom id="CDP-ETHANOLAMINE-atom16" elementType="C" x2="7.8955" y2="-2.9944"/> <atom id="CDP-ETHANOLAMINE-atom17" elementType="C" x2="8.6072" y2="-4.2364"/> <atom id="CDP-ETHANOLAMINE-atom18" elementType="C" x2="6.6091" y2="-0.6644"/> <atom id="CDP-ETHANOLAMINE-atom19" elementType="C" x2="7.4355" y2="-0.6644"/> <atom id="CDP-ETHANOLAMINE-atom20" elementType="C" x2="6.3597" y2="-1.4508"/> <atom id="CDP-ETHANOLAMINE-atom21" elementType="C" x2="7.6896" y2="-1.4508"/> <atom id="CDP-ETHANOLAMINE-atom22" elementType="N" x2="8.6072" y2="-2.5744"/> <atom id="CDP-ETHANOLAMINE-atom23" elementType="P" x2="4.1437" y2="-1.1623"/> <atom id="CDP-ETHANOLAMINE-atom24" elementType="P" x2="2.4999" y2="-1.1623"/> <atom id="CDP-ETHANOLAMINE-atom25" elementType="O" x2="1.6799" y2="-1.1596"/> <atom id="CDP-ETHANOLAMINE-atom26" elementType="C" x2="0.9654" y2="-1.5721"/> <atom id="CDP-ETHANOLAMINE-atom27" elementType="C" x2="0.2509" y2="-1.1596"/> <atom id="CDP-ETHANOLAMINE-atom28" elementType="N" x2="-0.4635" y2="-1.5721"/> <bond id="CDP-ETHANOLAMINE-bond1" atomRefs="CDP-ETHANOLAMINE-atom27 CDP-ETHANOLAMINE-atom28" order="1"/> <bond id="CDP-ETHANOLAMINE-bond2" atomRefs="CDP-ETHANOLAMINE-atom26 CDP-ETHANOLAMINE-atom27" order="1"/> <bond id="CDP-ETHANOLAMINE-bond3" atomRefs="CDP-ETHANOLAMINE-atom25 CDP-ETHANOLAMINE-atom26" order="1"/> <bond id="CDP-ETHANOLAMINE-bond4" atomRefs="CDP-ETHANOLAMINE-atom1 CDP-ETHANOLAMINE-atom17" order="1"/> <bond id="CDP-ETHANOLAMINE-bond5" atomRefs="CDP-ETHANOLAMINE-atom2 CDP-ETHANOLAMINE-atom16" order="2"/> <bond id="CDP-ETHANOLAMINE-bond6" atomRefs="CDP-ETHANOLAMINE-atom3 CDP-ETHANOLAMINE-atom23" order="2"/> <bond id="CDP-ETHANOLAMINE-bond7" atomRefs="CDP-ETHANOLAMINE-atom4 CDP-ETHANOLAMINE-atom24" order="2"/> <bond id="CDP-ETHANOLAMINE-bond8" atomRefs="CDP-ETHANOLAMINE-atom18 CDP-ETHANOLAMINE-atom5" order="1"/> <bond id="CDP-ETHANOLAMINE-bond9" atomRefs="CDP-ETHANOLAMINE-atom19 CDP-ETHANOLAMINE-atom6" order="1"/> <bond id="CDP-ETHANOLAMINE-bond10" atomRefs="CDP-ETHANOLAMINE-atom7 CDP-ETHANOLAMINE-atom23" order="1"/> <bond id="CDP-ETHANOLAMINE-bond11" atomRefs="CDP-ETHANOLAMINE-atom8 CDP-ETHANOLAMINE-atom24" order="1"/> <bond id="CDP-ETHANOLAMINE-bond12" atomRefs="CDP-ETHANOLAMINE-atom10 CDP-ETHANOLAMINE-atom9" order="A"/> <bond id="CDP-ETHANOLAMINE-bond13" atomRefs="CDP-ETHANOLAMINE-atom9 CDP-ETHANOLAMINE-atom17" order="A"/> <bond id="CDP-ETHANOLAMINE-bond14" atomRefs="CDP-ETHANOLAMINE-atom22 CDP-ETHANOLAMINE-atom10" order="A"/> <bond id="CDP-ETHANOLAMINE-bond15" atomRefs="CDP-ETHANOLAMINE-atom11 CDP-ETHANOLAMINE-atom13" order="1"/> <bond id="CDP-ETHANOLAMINE-bond16" atomRefs="CDP-ETHANOLAMINE-atom20 CDP-ETHANOLAMINE-atom11" order="1"/> <bond id="CDP-ETHANOLAMINE-bond17" atomRefs="CDP-ETHANOLAMINE-atom12 CDP-ETHANOLAMINE-atom16" order="A"/> <bond id="CDP-ETHANOLAMINE-bond18" atomRefs="CDP-ETHANOLAMINE-atom17 CDP-ETHANOLAMINE-atom12" order="A"/> <bond id="CDP-ETHANOLAMINE-bond19" atomRefs="CDP-ETHANOLAMINE-atom13 CDP-ETHANOLAMINE-atom23" order="1"/> <bond id="CDP-ETHANOLAMINE-bond20" atomRefs="CDP-ETHANOLAMINE-atom14 CDP-ETHANOLAMINE-atom20" order="1"/> <bond id="CDP-ETHANOLAMINE-bond21" atomRefs="CDP-ETHANOLAMINE-atom14 CDP-ETHANOLAMINE-atom21" order="1"/> <bond id="CDP-ETHANOLAMINE-bond22" atomRefs="CDP-ETHANOLAMINE-atom25 CDP-ETHANOLAMINE-atom24" order="1"/> <bond id="CDP-ETHANOLAMINE-bond23" atomRefs="CDP-ETHANOLAMINE-atom15 CDP-ETHANOLAMINE-atom23" order="1"/> <bond id="CDP-ETHANOLAMINE-bond24" atomRefs="CDP-ETHANOLAMINE-atom15 CDP-ETHANOLAMINE-atom24" order="1"/> <bond id="CDP-ETHANOLAMINE-bond25" atomRefs="CDP-ETHANOLAMINE-atom16 CDP-ETHANOLAMINE-atom22" order="A"/> <bond id="CDP-ETHANOLAMINE-bond26" atomRefs="CDP-ETHANOLAMINE-atom18 CDP-ETHANOLAMINE-atom19" order="1"/> <bond id="CDP-ETHANOLAMINE-bond27" atomRefs="CDP-ETHANOLAMINE-atom18 CDP-ETHANOLAMINE-atom20" order="1"/> <bond id="CDP-ETHANOLAMINE-bond28" atomRefs="CDP-ETHANOLAMINE-atom19 CDP-ETHANOLAMINE-atom21" order="1"/> <bond id="CDP-ETHANOLAMINE-bond29" atomRefs="CDP-ETHANOLAMINE-atom21 CDP-ETHANOLAMINE-atom22" order="1"/> <formula concise="C 11 H 20 N 4 O 11 P 2" formalCharge="0"/> 446.247 c1(n(c(=O)nc(N)c1)C2(OC(C(O)C(O)2)COP(O)(=O)OP(O)(=O)OCCN))
CDP-diacylglycerol--glycerol-3-phosphate 3-phosphatidyltransferase
<cml> <molecule id="L-1-PHOSPHATIDYL-GLYCEROL-P" title="an L-1-phosphatidylglycerol-phosphate" dictRef="dictL-1-PHOSPHATIDYL-GLYCEROL-P"> <atomArray> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-P-atom1" elementType="P" x2="-0.008888841" y2="-0.16444445"/> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-P-atom2" elementType="O" x2="0.20000005" y2="-0.16444445"/> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-P-atom3" elementType="O" x2="-0.008888841" y2="-0.38666666"/> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-P-atom4" elementType="P" x2="0.78666675" y2="-0.7911111"/> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-P-atom5" elementType="C" x2="-0.47555554" y2="0.09333336"/> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-P-atom6" elementType="O" x2="0.78666675" y2="-1.0"/> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-P-atom7" elementType="R" x2="-0.6844444" y2="0.3644445"/> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-P-atom8" elementType="C" x2="-0.47555554" y2="-0.115555525"/> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-P-atom9" elementType="C" x2="0.56000006" y2="-0.5822222"/> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-P-atom10" elementType="H" x2="-0.26666665" y2="0.09333336"/> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-P-atom11" elementType="O" x2="-0.6844444" y2="0.09333336"/> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-P-atom12" elementType="C" x2="0.3822223" y2="-0.26666665"/> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-P-atom13" elementType="R" x2="-0.115555525" y2="0.71555555"/> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-P-atom14" elementType="O" x2="0.56000006" y2="-0.7911111"/> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-P-atom15" elementType="C" x2="-0.7911111" y2="0.27111113"/> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-P-atom16" elementType="O" x2="0.99555564" y2="-0.7911111"/> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-P-atom17" elementType="O" x2="-1.0" y2="0.27111113"/> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-P-atom18" elementType="O" x2="0.78666675" y2="-0.5733333"/> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-P-atom19" elementType="C" x2="0.3822223" y2="-0.47555554"/> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-P-atom20" elementType="O" x2="-0.008888841" y2="0.07111108"/> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-P-atom21" elementType="O" x2="-0.47555554" y2="0.71555555"/> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-P-atom22" elementType="C" x2="-0.47555554" y2="0.30222225"/> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-P-atom23" elementType="O" x2="-0.29777777" y2="0.40444446"/> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-P-atom24" elementType="O" x2="0.20000005" y2="-0.5822222"/> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-P-atom25" elementType="O" x2="-0.25777775" y2="-0.16444445"/> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-P-atom26" elementType="C" x2="-0.29777777" y2="0.608889"/> </atomArray> <bondArray> <bond id="L-1-PHOSPHATIDYL-GLYCEROL-P-bond1" atomRefs="L-1-PHOSPHATIDYL-GLYCEROL-P-atom26 L-1-PHOSPHATIDYL-GLYCEROL-P-atom21" order="2"/> <bond id="L-1-PHOSPHATIDYL-GLYCEROL-P-bond2" atomRefs="L-1-PHOSPHATIDYL-GLYCEROL-P-atom26 L-1-PHOSPHATIDYL-GLYCEROL-P-atom13" order="1"/> <bond id="L-1-PHOSPHATIDYL-GLYCEROL-P-bond3" atomRefs="L-1-PHOSPHATIDYL-GLYCEROL-P-atom25 L-1-PHOSPHATIDYL-GLYCEROL-P-atom1" order="1"/> <bond id="L-1-PHOSPHATIDYL-GLYCEROL-P-bond4" atomRefs="L-1-PHOSPHATIDYL-GLYCEROL-P-atom24 L-1-PHOSPHATIDYL-GLYCEROL-P-atom19" order="1"/> <bond id="L-1-PHOSPHATIDYL-GLYCEROL-P-bond5" atomRefs="L-1-PHOSPHATIDYL-GLYCEROL-P-atom23 L-1-PHOSPHATIDYL-GLYCEROL-P-atom26" order="1"/> <bond id="L-1-PHOSPHATIDYL-GLYCEROL-P-bond6" atomRefs="L-1-PHOSPHATIDYL-GLYCEROL-P-atom22 L-1-PHOSPHATIDYL-GLYCEROL-P-atom23" order="1"/> <bond id="L-1-PHOSPHATIDYL-GLYCEROL-P-bond7" atomRefs="L-1-PHOSPHATIDYL-GLYCEROL-P-atom22 L-1-PHOSPHATIDYL-GLYCEROL-P-atom5" order="1"/> <bond id="L-1-PHOSPHATIDYL-GLYCEROL-P-bond8" atomRefs="L-1-PHOSPHATIDYL-GLYCEROL-P-atom19 L-1-PHOSPHATIDYL-GLYCEROL-P-atom12" order="1"/> <bond id="L-1-PHOSPHATIDYL-GLYCEROL-P-bond9" atomRefs="L-1-PHOSPHATIDYL-GLYCEROL-P-atom19 L-1-PHOSPHATIDYL-GLYCEROL-P-atom9" order="1"/> <bond id="L-1-PHOSPHATIDYL-GLYCEROL-P-bond10" atomRefs="L-1-PHOSPHATIDYL-GLYCEROL-P-atom15 L-1-PHOSPHATIDYL-GLYCEROL-P-atom7" order="1"/> <bond id="L-1-PHOSPHATIDYL-GLYCEROL-P-bond11" atomRefs="L-1-PHOSPHATIDYL-GLYCEROL-P-atom15 L-1-PHOSPHATIDYL-GLYCEROL-P-atom17" order="2"/> <bond id="L-1-PHOSPHATIDYL-GLYCEROL-P-bond12" atomRefs="L-1-PHOSPHATIDYL-GLYCEROL-P-atom14 L-1-PHOSPHATIDYL-GLYCEROL-P-atom4" order="1"/> <bond id="L-1-PHOSPHATIDYL-GLYCEROL-P-bond13" atomRefs="L-1-PHOSPHATIDYL-GLYCEROL-P-atom12 L-1-PHOSPHATIDYL-GLYCEROL-P-atom2" order="1"/> <bond id="L-1-PHOSPHATIDYL-GLYCEROL-P-bond14" atomRefs="L-1-PHOSPHATIDYL-GLYCEROL-P-atom11 L-1-PHOSPHATIDYL-GLYCEROL-P-atom15" order="1"/> <bond id="L-1-PHOSPHATIDYL-GLYCEROL-P-bond15" atomRefs="L-1-PHOSPHATIDYL-GLYCEROL-P-atom9 L-1-PHOSPHATIDYL-GLYCEROL-P-atom14" order="1"/> <bond id="L-1-PHOSPHATIDYL-GLYCEROL-P-bond16" atomRefs="L-1-PHOSPHATIDYL-GLYCEROL-P-atom8 L-1-PHOSPHATIDYL-GLYCEROL-P-atom25" order="1"/> <bond id="L-1-PHOSPHATIDYL-GLYCEROL-P-bond17" atomRefs="L-1-PHOSPHATIDYL-GLYCEROL-P-atom5 L-1-PHOSPHATIDYL-GLYCEROL-P-atom11" order="1"/> <bond id="L-1-PHOSPHATIDYL-GLYCEROL-P-bond18" atomRefs="L-1-PHOSPHATIDYL-GLYCEROL-P-atom5 L-1-PHOSPHATIDYL-GLYCEROL-P-atom10" order="1"/> <bond id="L-1-PHOSPHATIDYL-GLYCEROL-P-bond19" atomRefs="L-1-PHOSPHATIDYL-GLYCEROL-P-atom5 L-1-PHOSPHATIDYL-GLYCEROL-P-atom8" order="1"/> <bond id="L-1-PHOSPHATIDYL-GLYCEROL-P-bond20" atomRefs="L-1-PHOSPHATIDYL-GLYCEROL-P-atom4 L-1-PHOSPHATIDYL-GLYCEROL-P-atom18" order="1"/> <bond id="L-1-PHOSPHATIDYL-GLYCEROL-P-bond21" atomRefs="L-1-PHOSPHATIDYL-GLYCEROL-P-atom4 L-1-PHOSPHATIDYL-GLYCEROL-P-atom6" order="2"/> <bond id="L-1-PHOSPHATIDYL-GLYCEROL-P-bond22" atomRefs="L-1-PHOSPHATIDYL-GLYCEROL-P-atom4 L-1-PHOSPHATIDYL-GLYCEROL-P-atom16" order="1"/> <bond id="L-1-PHOSPHATIDYL-GLYCEROL-P-bond23" atomRefs="L-1-PHOSPHATIDYL-GLYCEROL-P-atom1 L-1-PHOSPHATIDYL-GLYCEROL-P-atom2" order="1"/> <bond id="L-1-PHOSPHATIDYL-GLYCEROL-P-bond24" atomRefs="L-1-PHOSPHATIDYL-GLYCEROL-P-atom1 L-1-PHOSPHATIDYL-GLYCEROL-P-atom3" order="2"/> <bond id="L-1-PHOSPHATIDYL-GLYCEROL-P-bond25" atomRefs="L-1-PHOSPHATIDYL-GLYCEROL-P-atom1 L-1-PHOSPHATIDYL-GLYCEROL-P-atom20" order="1"/> </bondArray> <formula concise="C 8 H 14 O 13 P 2 R 2" formalCharge="0"/> </molecule> </cml>
3(3-sn-Phosphatidyl)-sn-glycerol 1-phosphate
3(3-Phosphatidyl-)L-glycerol 1-phosphate
3-phosphatidyl-1'-glycerol-3'-phosphate synthase
Glycerophosphate phosphatidyltransferase
CDP-diacylglycerol--serine O-phosphatidyltransferase
CDP-diglycerine-serine O-phosphatidyltransferase
<atom id="ETHANOL-AMINE-atom1" elementType="N" x2="-1.0" y2="-0.71287"/> <atom id="ETHANOL-AMINE-atom2" elementType="C" x2="0.30033" y2="-0.54785"/> <atom id="ETHANOL-AMINE-atom3" elementType="O" x2="0.9967" y2="-0.83828"/> <atom id="ETHANOL-AMINE-atom4" elementType="C" x2="-0.30033" y2="-1.0"/> <bond id="ETHANOL-AMINE-bond1" atomRefs="ETHANOL-AMINE-atom4 ETHANOL-AMINE-atom1" order="1"/> <bond id="ETHANOL-AMINE-bond2" atomRefs="ETHANOL-AMINE-atom3 ETHANOL-AMINE-atom2" order="1"/> <bond id="ETHANOL-AMINE-bond3" atomRefs="ETHANOL-AMINE-atom2 ETHANOL-AMINE-atom4" order="1"/> <formula concise="C 2 H 7 N 1 O 1" formalCharge="0"/> 61.083 C(O)CN
Involved in anaerobic catabolism of toluene and is a strictly toluene-induced enzyme that catalyses the reversible regio- and enantio-selective synthesis of (R)-2-benzylsuccinyl-CoA. The enzyme from Thauera aromatica is inactive when (R)-benzylsuccinate is replaced by (S)-benzylsuccinate.
<atom id="BENZYLSUCCINATE-atom1" elementType="H" x2="5.7921" y2="-2.8521"/> <atom id="BENZYLSUCCINATE-atom2" elementType="O" x2="5.5343" y2="0.0"/> <atom id="BENZYLSUCCINATE-atom3" elementType="O" x2="5.5343" y2="-5.9037"/> <atom id="BENZYLSUCCINATE-atom4" elementType="O" x2="7.1155" y2="-1.521"/> <atom id="BENZYLSUCCINATE-atom5" elementType="O" x2="7.1155" y2="-4.3225"/> <atom id="BENZYLSUCCINATE-atom6" elementType="C" x2="0.0" y2="-2.2085"/> <atom id="BENZYLSUCCINATE-atom7" elementType="C" x2="0.0" y2="-3.6094"/> <atom id="BENZYLSUCCINATE-atom8" elementType="C" x2="1.2118" y2="-1.521"/> <atom id="BENZYLSUCCINATE-atom9" elementType="C" x2="1.2118" y2="-4.3225"/> <atom id="BENZYLSUCCINATE-atom10" elementType="C" x2="2.4321" y2="-2.2085"/> <atom id="BENZYLSUCCINATE-atom11" elementType="C" x2="4.6146" y2="-2.2085"/> <atom id="BENZYLSUCCINATE-atom12" elementType="C" x2="3.5406" y2="-4.3225"/> <atom id="BENZYLSUCCINATE-atom13" elementType="C" x2="5.5343" y2="-1.521"/> <atom id="BENZYLSUCCINATE-atom14" elementType="C" x2="5.5343" y2="-4.3225"/> <atom id="BENZYLSUCCINATE-atom15" elementType="C" x2="2.4321" y2="-3.6094"/> <atom id="BENZYLSUCCINATE-atom16" elementType="C" x2="4.6146" y2="-3.6094"/> <bond id="BENZYLSUCCINATE-bond1" atomRefs="BENZYLSUCCINATE-atom14 BENZYLSUCCINATE-atom16" order="1"/> <bond id="BENZYLSUCCINATE-bond2" atomRefs="BENZYLSUCCINATE-atom12 BENZYLSUCCINATE-atom16" order="1"/> <bond id="BENZYLSUCCINATE-bond3" atomRefs="BENZYLSUCCINATE-atom12 BENZYLSUCCINATE-atom15" order="1"/> <bond id="BENZYLSUCCINATE-bond4" atomRefs="BENZYLSUCCINATE-atom16 BENZYLSUCCINATE-atom11" order="1"/> <bond id="BENZYLSUCCINATE-bond5" atomRefs="BENZYLSUCCINATE-atom11 BENZYLSUCCINATE-atom13" order="1"/> <bond id="BENZYLSUCCINATE-bond6" atomRefs="BENZYLSUCCINATE-atom15 BENZYLSUCCINATE-atom10" order="A"/> <bond id="BENZYLSUCCINATE-bond7" atomRefs="BENZYLSUCCINATE-atom9 BENZYLSUCCINATE-atom15" order="A"/> <bond id="BENZYLSUCCINATE-bond8" atomRefs="BENZYLSUCCINATE-atom10 BENZYLSUCCINATE-atom8" order="A"/> <bond id="BENZYLSUCCINATE-bond9" atomRefs="BENZYLSUCCINATE-atom7 BENZYLSUCCINATE-atom9" order="A"/> <bond id="BENZYLSUCCINATE-bond10" atomRefs="BENZYLSUCCINATE-atom8 BENZYLSUCCINATE-atom6" order="A"/> <bond id="BENZYLSUCCINATE-bond11" atomRefs="BENZYLSUCCINATE-atom6 BENZYLSUCCINATE-atom7" order="A"/> <bond id="BENZYLSUCCINATE-bond12" atomRefs="BENZYLSUCCINATE-atom5 BENZYLSUCCINATE-atom14" order="1"/> <bond id="BENZYLSUCCINATE-bond13" atomRefs="BENZYLSUCCINATE-atom4 BENZYLSUCCINATE-atom13" order="1"/> <bond id="BENZYLSUCCINATE-bond14" atomRefs="BENZYLSUCCINATE-atom3 BENZYLSUCCINATE-atom14" order="2"/> <bond id="BENZYLSUCCINATE-bond15" atomRefs="BENZYLSUCCINATE-atom2 BENZYLSUCCINATE-atom13" order="2"/> <bond id="BENZYLSUCCINATE-bond16" atomRefs="BENZYLSUCCINATE-atom16 BENZYLSUCCINATE-atom1" order="1"/> <formula concise="C 11 H 12 O 4" formalCharge="0"/> 208.213 C(=O)(O)C[CH](C(O)=O)Cc1(ccccc1)
Succinyl-CoA:(R)-benzylsuccinate CoA-transferase
<atom id="3-HYDROXY-PROPIONYL-COA-atom1" elementType="N" x2="2.7833" y2="1.7416"/> <atom id="3-HYDROXY-PROPIONYL-COA-atom2" elementType="C" x2="2.7833" y2="2.6457"/> <atom id="3-HYDROXY-PROPIONYL-COA-atom3" elementType="N" x2="3.5579" y2="3.1041"/> <atom id="3-HYDROXY-PROPIONYL-COA-atom4" elementType="C" x2="3.5579" y2="1.2958"/> <atom id="3-HYDROXY-PROPIONYL-COA-atom5" elementType="C" x2="4.3407" y2="1.7416"/> <atom id="3-HYDROXY-PROPIONYL-COA-atom6" elementType="C" x2="4.3407" y2="2.6457"/> <atom id="3-HYDROXY-PROPIONYL-COA-atom7" elementType="C" x2="5.9075" y2="1.7416"/> <atom id="3-HYDROXY-PROPIONYL-COA-atom8" elementType="N" x2="5.1261" y2="1.2893"/> <atom id="3-HYDROXY-PROPIONYL-COA-atom9" elementType="N" x2="3.5558" y2="0.3999"/> <atom id="3-HYDROXY-PROPIONYL-COA-atom10" elementType="N" x2="5.9059" y2="2.6457"/> <atom id="3-HYDROXY-PROPIONYL-COA-atom11" elementType="O" x2="4.7955" y2="3.6669"/> <atom id="3-HYDROXY-PROPIONYL-COA-atom12" elementType="O" x2="2.0071" y2="4.5019"/> <atom id="3-HYDROXY-PROPIONYL-COA-atom13" elementType="C" x2="5.5365" y2="4.2029"/> <atom id="3-HYDROXY-PROPIONYL-COA-atom14" elementType="C" x2="5.2636" y2="5.0408"/> <atom id="3-HYDROXY-PROPIONYL-COA-atom15" elementType="C" x2="4.3522" y2="5.0408"/> <atom id="3-HYDROXY-PROPIONYL-COA-atom16" elementType="C" x2="4.0683" y2="4.1877"/> <atom id="3-HYDROXY-PROPIONYL-COA-atom17" elementType="C" x2="3.2285" y2="3.9253"/> <atom id="3-HYDROXY-PROPIONYL-COA-atom18" elementType="P" x2="0.5771" y2="4.5197"/> <atom id="3-HYDROXY-PROPIONYL-COA-atom19" elementType="O" x2="0.5866" y2="3.6157"/> <atom id="3-HYDROXY-PROPIONYL-COA-atom20" elementType="O" x2="-0.3187" y2="4.5026"/> <atom id="3-HYDROXY-PROPIONYL-COA-atom21" elementType="O" x2="0.5761" y2="6.4114"/> <atom id="3-HYDROXY-PROPIONYL-COA-atom22" elementType="O" x2="1.5161" y2="8.2168"/> <atom id="3-HYDROXY-PROPIONYL-COA-atom23" elementType="P" x2="0.5855" y2="8.2364"/> <atom id="3-HYDROXY-PROPIONYL-COA-atom24" elementType="O" x2="-0.3144" y2="8.2193"/> <atom id="3-HYDROXY-PROPIONYL-COA-atom25" elementType="O" x2="0.5678" y2="9.2947"/> <atom id="3-HYDROXY-PROPIONYL-COA-atom26" elementType="C" x2="2.288" y2="7.7724"/> <atom id="3-HYDROXY-PROPIONYL-COA-atom27" elementType="C" x2="3.0625" y2="8.2181"/> <atom id="3-HYDROXY-PROPIONYL-COA-atom28" elementType="C" x2="3.837" y2="7.7722"/> <atom id="3-HYDROXY-PROPIONYL-COA-atom29" elementType="C" x2="3.0503" y2="9.0141"/> <atom id="3-HYDROXY-PROPIONYL-COA-atom30" elementType="C" x2="3.0425" y2="7.2929"/> <atom id="3-HYDROXY-PROPIONYL-COA-atom31" elementType="C" x2="4.6116" y2="8.2179"/> <atom id="3-HYDROXY-PROPIONYL-COA-atom32" elementType="O" x2="3.8369" y2="6.8764"/> <atom id="3-HYDROXY-PROPIONYL-COA-atom33" elementType="O" x2="4.6117" y2="9.1138"/> <atom id="3-HYDROXY-PROPIONYL-COA-atom34" elementType="N" x2="5.386" y2="7.772"/> <atom id="3-HYDROXY-PROPIONYL-COA-atom35" elementType="C" x2="6.1606" y2="8.2177"/> <atom id="3-HYDROXY-PROPIONYL-COA-atom36" elementType="C" x2="6.9351" y2="7.7718"/> <atom id="3-HYDROXY-PROPIONYL-COA-atom37" elementType="C" x2="7.7097" y2="8.2175"/> <atom id="3-HYDROXY-PROPIONYL-COA-atom38" elementType="N" x2="8.4841" y2="7.7716"/> <atom id="3-HYDROXY-PROPIONYL-COA-atom39" elementType="O" x2="7.7098" y2="9.1134"/> <atom id="3-HYDROXY-PROPIONYL-COA-atom40" elementType="C" x2="9.2587" y2="8.2173"/> <atom id="3-HYDROXY-PROPIONYL-COA-atom41" elementType="C" x2="10.0332" y2="7.7715"/> <atom id="3-HYDROXY-PROPIONYL-COA-atom42" elementType="S" x2="10.8077" y2="8.2172"/> <atom id="3-HYDROXY-PROPIONYL-COA-atom43" elementType="O" x2="5.7926" y2="5.7638"/> <atom id="3-HYDROXY-PROPIONYL-COA-atom44" elementType="O" x2="3.8928" y2="5.6825"/> <atom id="3-HYDROXY-PROPIONYL-COA-atom45" elementType="O" x2="3.0113" y2="4.8268"/> <atom id="3-HYDROXY-PROPIONYL-COA-atom46" elementType="P" x2="2.9407" y2="5.6774"/> <atom id="3-HYDROXY-PROPIONYL-COA-atom47" elementType="O" x2="2.0659" y2="5.7"/> <atom id="3-HYDROXY-PROPIONYL-COA-atom48" elementType="O" x2="2.935" y2="6.5774"/> <atom id="3-HYDROXY-PROPIONYL-COA-atom49" elementType="C" x2="11.575" y2="7.7667"/> <atom id="3-HYDROXY-PROPIONYL-COA-atom50" elementType="C" x2="12.3417" y2="8.2083"/> <atom id="3-HYDROXY-PROPIONYL-COA-atom51" elementType="C" x2="13.1042" y2="7.7625"/> <atom id="3-HYDROXY-PROPIONYL-COA-atom52" elementType="O" x2="13.8667" y2="8.2"/> <atom id="3-HYDROXY-PROPIONYL-COA-atom53" elementType="O" x2="11.5708" y2="6.8792"/> <bond id="3-HYDROXY-PROPIONYL-COA-bond1" atomRefs="3-HYDROXY-PROPIONYL-COA-atom49 3-HYDROXY-PROPIONYL-COA-atom53" order="2"/> <bond id="3-HYDROXY-PROPIONYL-COA-bond2" atomRefs="3-HYDROXY-PROPIONYL-COA-atom6 3-HYDROXY-PROPIONYL-COA-atom3" order="A"/> <bond id="3-HYDROXY-PROPIONYL-COA-bond3" atomRefs="3-HYDROXY-PROPIONYL-COA-atom51 3-HYDROXY-PROPIONYL-COA-atom52" order="1"/> <bond id="3-HYDROXY-PROPIONYL-COA-bond4" atomRefs="3-HYDROXY-PROPIONYL-COA-atom3 3-HYDROXY-PROPIONYL-COA-atom2" order="A"/> <bond id="3-HYDROXY-PROPIONYL-COA-bond5" atomRefs="3-HYDROXY-PROPIONYL-COA-atom50 3-HYDROXY-PROPIONYL-COA-atom51" order="1"/> <bond id="3-HYDROXY-PROPIONYL-COA-bond6" atomRefs="3-HYDROXY-PROPIONYL-COA-atom2 3-HYDROXY-PROPIONYL-COA-atom1" order="A"/> <bond id="3-HYDROXY-PROPIONYL-COA-bond7" atomRefs="3-HYDROXY-PROPIONYL-COA-atom49 3-HYDROXY-PROPIONYL-COA-atom50" order="1"/> <bond id="3-HYDROXY-PROPIONYL-COA-bond8" atomRefs="3-HYDROXY-PROPIONYL-COA-atom1 3-HYDROXY-PROPIONYL-COA-atom4" order="A"/> <bond id="3-HYDROXY-PROPIONYL-COA-bond9" atomRefs="3-HYDROXY-PROPIONYL-COA-atom42 3-HYDROXY-PROPIONYL-COA-atom49" order="1"/> <bond id="3-HYDROXY-PROPIONYL-COA-bond10" atomRefs="3-HYDROXY-PROPIONYL-COA-atom44 3-HYDROXY-PROPIONYL-COA-atom46" order="1"/> <bond id="3-HYDROXY-PROPIONYL-COA-bond11" atomRefs="3-HYDROXY-PROPIONYL-COA-atom46 3-HYDROXY-PROPIONYL-COA-atom48" order="2"/> <bond id="3-HYDROXY-PROPIONYL-COA-bond12" atomRefs="3-HYDROXY-PROPIONYL-COA-atom46 3-HYDROXY-PROPIONYL-COA-atom47" order="1"/> <bond id="3-HYDROXY-PROPIONYL-COA-bond13" atomRefs="3-HYDROXY-PROPIONYL-COA-atom45 3-HYDROXY-PROPIONYL-COA-atom46" order="1"/> <bond id="3-HYDROXY-PROPIONYL-COA-bond14" atomRefs="3-HYDROXY-PROPIONYL-COA-atom15 3-HYDROXY-PROPIONYL-COA-atom44" order="1"/> <bond id="3-HYDROXY-PROPIONYL-COA-bond15" atomRefs="3-HYDROXY-PROPIONYL-COA-atom14 3-HYDROXY-PROPIONYL-COA-atom43" order="1"/> <bond id="3-HYDROXY-PROPIONYL-COA-bond16" atomRefs="3-HYDROXY-PROPIONYL-COA-atom41 3-HYDROXY-PROPIONYL-COA-atom42" order="1"/> <bond id="3-HYDROXY-PROPIONYL-COA-bond17" atomRefs="3-HYDROXY-PROPIONYL-COA-atom40 3-HYDROXY-PROPIONYL-COA-atom41" order="1"/> <bond id="3-HYDROXY-PROPIONYL-COA-bond18" atomRefs="3-HYDROXY-PROPIONYL-COA-atom38 3-HYDROXY-PROPIONYL-COA-atom40" order="1"/> <bond id="3-HYDROXY-PROPIONYL-COA-bond19" atomRefs="3-HYDROXY-PROPIONYL-COA-atom37 3-HYDROXY-PROPIONYL-COA-atom39" order="2"/> <bond id="3-HYDROXY-PROPIONYL-COA-bond20" atomRefs="3-HYDROXY-PROPIONYL-COA-atom37 3-HYDROXY-PROPIONYL-COA-atom38" order="1"/> <bond id="3-HYDROXY-PROPIONYL-COA-bond21" atomRefs="3-HYDROXY-PROPIONYL-COA-atom36 3-HYDROXY-PROPIONYL-COA-atom37" order="1"/> <bond id="3-HYDROXY-PROPIONYL-COA-bond22" atomRefs="3-HYDROXY-PROPIONYL-COA-atom35 3-HYDROXY-PROPIONYL-COA-atom36" order="1"/> <bond id="3-HYDROXY-PROPIONYL-COA-bond23" atomRefs="3-HYDROXY-PROPIONYL-COA-atom34 3-HYDROXY-PROPIONYL-COA-atom35" order="1"/> <bond id="3-HYDROXY-PROPIONYL-COA-bond24" atomRefs="3-HYDROXY-PROPIONYL-COA-atom31 3-HYDROXY-PROPIONYL-COA-atom34" order="1"/> <bond id="3-HYDROXY-PROPIONYL-COA-bond25" atomRefs="3-HYDROXY-PROPIONYL-COA-atom31 3-HYDROXY-PROPIONYL-COA-atom33" order="2"/> <bond id="3-HYDROXY-PROPIONYL-COA-bond26" atomRefs="3-HYDROXY-PROPIONYL-COA-atom28 3-HYDROXY-PROPIONYL-COA-atom32" order="1"/> <bond id="3-HYDROXY-PROPIONYL-COA-bond27" atomRefs="3-HYDROXY-PROPIONYL-COA-atom28 3-HYDROXY-PROPIONYL-COA-atom31" order="1"/> <bond id="3-HYDROXY-PROPIONYL-COA-bond28" atomRefs="3-HYDROXY-PROPIONYL-COA-atom27 3-HYDROXY-PROPIONYL-COA-atom30" order="1"/> <bond id="3-HYDROXY-PROPIONYL-COA-bond29" atomRefs="3-HYDROXY-PROPIONYL-COA-atom27 3-HYDROXY-PROPIONYL-COA-atom29" order="1"/> <bond id="3-HYDROXY-PROPIONYL-COA-bond30" atomRefs="3-HYDROXY-PROPIONYL-COA-atom27 3-HYDROXY-PROPIONYL-COA-atom28" order="1"/> <bond id="3-HYDROXY-PROPIONYL-COA-bond31" atomRefs="3-HYDROXY-PROPIONYL-COA-atom26 3-HYDROXY-PROPIONYL-COA-atom27" order="1"/> <bond id="3-HYDROXY-PROPIONYL-COA-bond32" atomRefs="3-HYDROXY-PROPIONYL-COA-atom23 3-HYDROXY-PROPIONYL-COA-atom21" order="1"/> <bond id="3-HYDROXY-PROPIONYL-COA-bond33" atomRefs="3-HYDROXY-PROPIONYL-COA-atom22 3-HYDROXY-PROPIONYL-COA-atom26" order="1"/> <bond id="3-HYDROXY-PROPIONYL-COA-bond34" atomRefs="3-HYDROXY-PROPIONYL-COA-atom23 3-HYDROXY-PROPIONYL-COA-atom25" order="1"/> <bond id="3-HYDROXY-PROPIONYL-COA-bond35" atomRefs="3-HYDROXY-PROPIONYL-COA-atom23 3-HYDROXY-PROPIONYL-COA-atom24" order="2"/> <bond id="3-HYDROXY-PROPIONYL-COA-bond36" atomRefs="3-HYDROXY-PROPIONYL-COA-atom22 3-HYDROXY-PROPIONYL-COA-atom23" order="1"/> <bond id="3-HYDROXY-PROPIONYL-COA-bond37" atomRefs="3-HYDROXY-PROPIONYL-COA-atom18 3-HYDROXY-PROPIONYL-COA-atom21" order="1"/> <bond id="3-HYDROXY-PROPIONYL-COA-bond38" atomRefs="3-HYDROXY-PROPIONYL-COA-atom18 3-HYDROXY-PROPIONYL-COA-atom20" order="2"/> <bond id="3-HYDROXY-PROPIONYL-COA-bond39" atomRefs="3-HYDROXY-PROPIONYL-COA-atom18 3-HYDROXY-PROPIONYL-COA-atom19" order="1"/> <bond id="3-HYDROXY-PROPIONYL-COA-bond40" atomRefs="3-HYDROXY-PROPIONYL-COA-atom12 3-HYDROXY-PROPIONYL-COA-atom18" order="1"/> <bond id="3-HYDROXY-PROPIONYL-COA-bond41" atomRefs="3-HYDROXY-PROPIONYL-COA-atom13 3-HYDROXY-PROPIONYL-COA-atom10" order="1"/> <bond id="3-HYDROXY-PROPIONYL-COA-bond42" atomRefs="3-HYDROXY-PROPIONYL-COA-atom17 3-HYDROXY-PROPIONYL-COA-atom12" order="1"/> <bond id="3-HYDROXY-PROPIONYL-COA-bond43" atomRefs="3-HYDROXY-PROPIONYL-COA-atom16 3-HYDROXY-PROPIONYL-COA-atom17" order="1"/> <bond id="3-HYDROXY-PROPIONYL-COA-bond44" atomRefs="3-HYDROXY-PROPIONYL-COA-atom13 3-HYDROXY-PROPIONYL-COA-atom14" order="1"/> <bond id="3-HYDROXY-PROPIONYL-COA-bond45" atomRefs="3-HYDROXY-PROPIONYL-COA-atom15 3-HYDROXY-PROPIONYL-COA-atom14" order="1"/> <bond id="3-HYDROXY-PROPIONYL-COA-bond46" atomRefs="3-HYDROXY-PROPIONYL-COA-atom11 3-HYDROXY-PROPIONYL-COA-atom13" order="1"/> <bond id="3-HYDROXY-PROPIONYL-COA-bond47" atomRefs="3-HYDROXY-PROPIONYL-COA-atom16 3-HYDROXY-PROPIONYL-COA-atom15" order="1"/> <bond id="3-HYDROXY-PROPIONYL-COA-bond48" atomRefs="3-HYDROXY-PROPIONYL-COA-atom16 3-HYDROXY-PROPIONYL-COA-atom11" order="1"/> <bond id="3-HYDROXY-PROPIONYL-COA-bond49" atomRefs="3-HYDROXY-PROPIONYL-COA-atom4 3-HYDROXY-PROPIONYL-COA-atom9" order="1"/> <bond id="3-HYDROXY-PROPIONYL-COA-bond50" atomRefs="3-HYDROXY-PROPIONYL-COA-atom6 3-HYDROXY-PROPIONYL-COA-atom10" order="A"/> <bond id="3-HYDROXY-PROPIONYL-COA-bond51" atomRefs="3-HYDROXY-PROPIONYL-COA-atom8 3-HYDROXY-PROPIONYL-COA-atom5" order="A"/> <bond id="3-HYDROXY-PROPIONYL-COA-bond52" atomRefs="3-HYDROXY-PROPIONYL-COA-atom7 3-HYDROXY-PROPIONYL-COA-atom8" order="A"/> <bond id="3-HYDROXY-PROPIONYL-COA-bond53" atomRefs="3-HYDROXY-PROPIONYL-COA-atom10 3-HYDROXY-PROPIONYL-COA-atom7" order="A"/> <bond id="3-HYDROXY-PROPIONYL-COA-bond54" atomRefs="3-HYDROXY-PROPIONYL-COA-atom5 3-HYDROXY-PROPIONYL-COA-atom6" order="A"/> <bond id="3-HYDROXY-PROPIONYL-COA-bond55" atomRefs="3-HYDROXY-PROPIONYL-COA-atom4 3-HYDROXY-PROPIONYL-COA-atom5" order="A"/> <formula concise="C 24 H 40 N 7 O 18 P 3 S 1" formalCharge="0"/> 839.597 c1(c2(c(ncn1)n(cn2)C3(OC(C(C(O)3)OP(O)(=O)O)COP(O)(=O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)CCO)))(N)
The fatty acid moiety typically has 14-24 carbon atoms. The 16- and 18-carbon fatty acids are the most common.
<cml> <molecule id="Fatty-Acyl-CoA" title="a fatty acyl CoA" dictRef="dictFatty-Acyl-CoA"> <atomArray> <atom id="Fatty-Acyl-CoA-atom1" elementType="O" x2="0.12772584" y2="-0.10280377"/> <atom id="Fatty-Acyl-CoA-atom2" elementType="C" x2="-0.635514" y2="-0.44859815"/> <atom id="Fatty-Acyl-CoA-atom3" elementType="H" x2="0.65732086" y2="-0.2834891"/> <atom id="Fatty-Acyl-CoA-atom4" elementType="O" x2="0.65732086" y2="-0.6884735"/> <atom id="Fatty-Acyl-CoA-atom5" elementType="O" x2="0.55451703" y2="-0.58878505"/> <atom id="Fatty-Acyl-CoA-atom6" elementType="N" x2="-1.0" y2="-0.36137074"/> <atom id="Fatty-Acyl-CoA-atom7" elementType="O" x2="0.84112144" y2="-0.47663552"/> <atom id="Fatty-Acyl-CoA-atom8" elementType="C" x2="0.76012456" y2="0.22741425"/> <atom id="Fatty-Acyl-CoA-atom9" elementType="C" x2="-0.7694704" y2="-0.36137074"/> <atom id="Fatty-Acyl-CoA-atom10" elementType="O" x2="0.7445482" y2="-0.1806854"/> <atom id="Fatty-Acyl-CoA-atom11" elementType="C" x2="0.65732086" y2="-0.38006234"/> <atom id="Fatty-Acyl-CoA-atom12" elementType="O" x2="-0.6853583" y2="-0.6105919"/> <atom id="Fatty-Acyl-CoA-atom13" elementType="C" x2="-0.87227416" y2="-0.2866044"/> <atom id="Fatty-Acyl-CoA-atom14" elementType="O" x2="0.00934577" y2="-1.0"/> <atom id="Fatty-Acyl-CoA-atom15" elementType="N" x2="0.6417445" y2="-0.006230533"/> <atom id="Fatty-Acyl-CoA-atom16" elementType="S" x2="-0.13084114" y2="-0.7538941"/> <atom id="Fatty-Acyl-CoA-atom17" elementType="H" x2="0.5919002" y2="-0.36448598"/> <atom id="Fatty-Acyl-CoA-atom18" elementType="C" x2="0.90031147" y2="-0.27102804"/> <atom id="Fatty-Acyl-CoA-atom19" elementType="N" x2="0.8909657" y2="0.2866043"/> <atom id="Fatty-Acyl-CoA-atom20" elementType="O" x2="0.65732086" y2="-0.48286605"/> <atom id="Fatty-Acyl-CoA-atom21" elementType="C" x2="-0.8753894" y2="-0.8504673"/> <atom id="Fatty-Acyl-CoA-atom22" elementType="O" x2="0.2866043" y2="-0.2679128"/> <atom id="Fatty-Acyl-CoA-atom23" elementType="O" x2="-0.034267962" y2="-0.2679128"/> <atom id="Fatty-Acyl-CoA-atom24" elementType="P" x2="0.65732086" y2="-0.58566976"/> <atom id="Fatty-Acyl-CoA-atom25" elementType="O" x2="-0.1775701" y2="-0.42990655"/> <atom id="Fatty-Acyl-CoA-atom26" elementType="N" x2="-0.5607477" y2="-0.84423673"/> <atom id="Fatty-Acyl-CoA-atom27" elementType="O" x2="0.12772584" y2="-0.42990655"/> <atom id="Fatty-Acyl-CoA-atom28" elementType="C" x2="0.76012456" y2="0.08099687"/> <atom id="Fatty-Acyl-CoA-atom29" elementType="N" x2="0.62616813" y2="0.4641744"/> <atom id="Fatty-Acyl-CoA-atom30" elementType="O" x2="-0.87227416" y2="-0.1246106"/> <atom id="Fatty-Acyl-CoA-atom31" elementType="C" x2="0.44236755" y2="-0.2679128"/> <atom id="Fatty-Acyl-CoA-atom32" elementType="N" x2="0.90031147" y2="-5.9604645e-8"/> <atom id="Fatty-Acyl-CoA-atom33" elementType="C" x2="-0.635514" y2="-0.2866044"/> <atom id="Fatty-Acyl-CoA-atom34" elementType="C" x2="0.9968847" y2="0.14953268"/> <atom id="Fatty-Acyl-CoA-atom35" elementType="C" x2="-0.635514" y2="-0.1246106"/> <atom id="Fatty-Acyl-CoA-atom36" elementType="O" x2="-0.36448598" y2="-0.2679128"/> <atom id="Fatty-Acyl-CoA-atom37" elementType="P" x2="0.12772584" y2="-0.2679128"/> <atom id="Fatty-Acyl-CoA-atom38" elementType="C" x2="-0.25856698" y2="-0.84423673"/> <atom id="Fatty-Acyl-CoA-atom39" elementType="O" x2="0.75700927" y2="-0.58566976"/> <atom id="Fatty-Acyl-CoA-atom40" elementType="O" x2="-0.1775701" y2="-0.10280377"/> <atom id="Fatty-Acyl-CoA-atom41" elementType="C" x2="0.4984423" y2="0.07476628"/> <atom id="Fatty-Acyl-CoA-atom42" elementType="C" x2="-1.0" y2="-0.7788162"/> <atom id="Fatty-Acyl-CoA-atom43" elementType="C" x2="-0.6853583" y2="-0.7788162"/> <atom id="Fatty-Acyl-CoA-atom44" elementType="C" x2="0.84112144" y2="-0.38006234"/> <atom id="Fatty-Acyl-CoA-atom45" elementType="P" x2="-0.1775701" y2="-0.2679128"/> <atom id="Fatty-Acyl-CoA-atom46" elementType="C" x2="0.5919002" y2="-0.27102804"/> <atom id="Fatty-Acyl-CoA-atom47" elementType="C" x2="-0.5077882" y2="-0.36137074"/> <atom id="Fatty-Acyl-CoA-atom48" elementType="C" x2="0.62616813" y2="0.29906535"/> <atom id="Fatty-Acyl-CoA-atom49" elementType="C" x2="0.00934577" y2="-0.8504673"/> <atom id="Fatty-Acyl-CoA-atom50" elementType="H" x2="0.84112144" y2="-0.2834891"/> <atom id="Fatty-Acyl-CoA-atom51" elementType="H" x2="0.90031147" y2="-0.36448598"/> <atom id="Fatty-Acyl-CoA-atom52" elementType="O" x2="-0.7694704" y2="-0.5264798"/> <atom id="Fatty-Acyl-CoA-atom53" elementType="N" x2="0.4984423" y2="0.22118378"/> <atom id="Fatty-Acyl-CoA-atom54" elementType="R" x2="0.17445481" y2="-0.7538941"/> <atom id="Fatty-Acyl-CoA-atom55" elementType="C" x2="-0.39875394" y2="-0.76323986"/> </atomArray> <bondArray> <bond id="Fatty-Acyl-CoA-bond1" atomRefs="Fatty-Acyl-CoA-atom55 Fatty-Acyl-CoA-atom26" order="1"/> <bond id="Fatty-Acyl-CoA-bond2" atomRefs="Fatty-Acyl-CoA-atom53 Fatty-Acyl-CoA-atom41" order="A"/> <bond id="Fatty-Acyl-CoA-bond3" atomRefs="Fatty-Acyl-CoA-atom52 Fatty-Acyl-CoA-atom9" order="1"/> <bond id="Fatty-Acyl-CoA-bond4" atomRefs="Fatty-Acyl-CoA-atom51 Fatty-Acyl-CoA-atom18" order="1"/> <bond id="Fatty-Acyl-CoA-bond5" atomRefs="Fatty-Acyl-CoA-atom50 Fatty-Acyl-CoA-atom44" order="1"/> <bond id="Fatty-Acyl-CoA-bond6" atomRefs="Fatty-Acyl-CoA-atom49 Fatty-Acyl-CoA-atom54" order="1"/> <bond id="Fatty-Acyl-CoA-bond7" atomRefs="Fatty-Acyl-CoA-atom49 Fatty-Acyl-CoA-atom16" order="1"/> <bond id="Fatty-Acyl-CoA-bond8" atomRefs="Fatty-Acyl-CoA-atom49 Fatty-Acyl-CoA-atom14" order="2"/> <bond id="Fatty-Acyl-CoA-bond9" atomRefs="Fatty-Acyl-CoA-atom48 Fatty-Acyl-CoA-atom53" order="A"/> <bond id="Fatty-Acyl-CoA-bond10" atomRefs="Fatty-Acyl-CoA-atom47 Fatty-Acyl-CoA-atom36" order="1"/> <bond id="Fatty-Acyl-CoA-bond11" atomRefs="Fatty-Acyl-CoA-atom46 Fatty-Acyl-CoA-atom11" order="1"/> <bond id="Fatty-Acyl-CoA-bond12" atomRefs="Fatty-Acyl-CoA-atom46 Fatty-Acyl-CoA-atom10" order="1"/> <bond id="Fatty-Acyl-CoA-bond13" atomRefs="Fatty-Acyl-CoA-atom45 Fatty-Acyl-CoA-atom23" order="1"/> <bond id="Fatty-Acyl-CoA-bond14" atomRefs="Fatty-Acyl-CoA-atom43 Fatty-Acyl-CoA-atom21" order="1"/> <bond id="Fatty-Acyl-CoA-bond15" atomRefs="Fatty-Acyl-CoA-atom42 Fatty-Acyl-CoA-atom6" order="1"/> <bond id="Fatty-Acyl-CoA-bond16" atomRefs="Fatty-Acyl-CoA-atom41 Fatty-Acyl-CoA-atom15" order="A"/> <bond id="Fatty-Acyl-CoA-bond17" atomRefs="Fatty-Acyl-CoA-atom40 Fatty-Acyl-CoA-atom45" order="2"/> <bond id="Fatty-Acyl-CoA-bond18" atomRefs="Fatty-Acyl-CoA-atom39 Fatty-Acyl-CoA-atom24" order="1"/> <bond id="Fatty-Acyl-CoA-bond19" atomRefs="Fatty-Acyl-CoA-atom38 Fatty-Acyl-CoA-atom55" order="1"/> <bond id="Fatty-Acyl-CoA-bond20" atomRefs="Fatty-Acyl-CoA-atom37 Fatty-Acyl-CoA-atom22" order="1"/> <bond id="Fatty-Acyl-CoA-bond21" atomRefs="Fatty-Acyl-CoA-atom36 Fatty-Acyl-CoA-atom45" order="1"/> <bond id="Fatty-Acyl-CoA-bond22" atomRefs="Fatty-Acyl-CoA-atom35 Fatty-Acyl-CoA-atom33" order="1"/> <bond id="Fatty-Acyl-CoA-bond23" atomRefs="Fatty-Acyl-CoA-atom34 Fatty-Acyl-CoA-atom32" order="A"/> <bond id="Fatty-Acyl-CoA-bond24" atomRefs="Fatty-Acyl-CoA-atom33 Fatty-Acyl-CoA-atom47" order="1"/> <bond id="Fatty-Acyl-CoA-bond25" atomRefs="Fatty-Acyl-CoA-atom32 Fatty-Acyl-CoA-atom28" order="A"/> <bond id="Fatty-Acyl-CoA-bond26" atomRefs="Fatty-Acyl-CoA-atom31 Fatty-Acyl-CoA-atom46" order="1"/> <bond id="Fatty-Acyl-CoA-bond27" atomRefs="Fatty-Acyl-CoA-atom30 Fatty-Acyl-CoA-atom13" order="2"/> <bond id="Fatty-Acyl-CoA-bond28" atomRefs="Fatty-Acyl-CoA-atom29 Fatty-Acyl-CoA-atom48" order="1"/> <bond id="Fatty-Acyl-CoA-bond29" atomRefs="Fatty-Acyl-CoA-atom28 Fatty-Acyl-CoA-atom8" order="A"/> <bond id="Fatty-Acyl-CoA-bond30" atomRefs="Fatty-Acyl-CoA-atom27 Fatty-Acyl-CoA-atom37" order="1"/> <bond id="Fatty-Acyl-CoA-bond31" atomRefs="Fatty-Acyl-CoA-atom26 Fatty-Acyl-CoA-atom43" order="1"/> <bond id="Fatty-Acyl-CoA-bond32" atomRefs="Fatty-Acyl-CoA-atom25 Fatty-Acyl-CoA-atom45" order="1"/> <bond id="Fatty-Acyl-CoA-bond33" atomRefs="Fatty-Acyl-CoA-atom24 Fatty-Acyl-CoA-atom20" order="1"/> <bond id="Fatty-Acyl-CoA-bond34" atomRefs="Fatty-Acyl-CoA-atom23 Fatty-Acyl-CoA-atom37" order="1"/> <bond id="Fatty-Acyl-CoA-bond35" atomRefs="Fatty-Acyl-CoA-atom22 Fatty-Acyl-CoA-atom31" order="1"/> <bond id="Fatty-Acyl-CoA-bond36" atomRefs="Fatty-Acyl-CoA-atom21 Fatty-Acyl-CoA-atom42" order="1"/> <bond id="Fatty-Acyl-CoA-bond37" atomRefs="Fatty-Acyl-CoA-atom19 Fatty-Acyl-CoA-atom34" order="A"/> <bond id="Fatty-Acyl-CoA-bond38" atomRefs="Fatty-Acyl-CoA-atom18 Fatty-Acyl-CoA-atom44" order="1"/> <bond id="Fatty-Acyl-CoA-bond39" atomRefs="Fatty-Acyl-CoA-atom18 Fatty-Acyl-CoA-atom32" order="1"/> <bond id="Fatty-Acyl-CoA-bond40" atomRefs="Fatty-Acyl-CoA-atom17 Fatty-Acyl-CoA-atom46" order="1"/> <bond id="Fatty-Acyl-CoA-bond41" atomRefs="Fatty-Acyl-CoA-atom16 Fatty-Acyl-CoA-atom38" order="1"/> <bond id="Fatty-Acyl-CoA-bond42" atomRefs="Fatty-Acyl-CoA-atom15 Fatty-Acyl-CoA-atom28" order="A"/> <bond id="Fatty-Acyl-CoA-bond43" atomRefs="Fatty-Acyl-CoA-atom13 Fatty-Acyl-CoA-atom9" order="1"/> <bond id="Fatty-Acyl-CoA-bond44" atomRefs="Fatty-Acyl-CoA-atom12 Fatty-Acyl-CoA-atom43" order="2"/> <bond id="Fatty-Acyl-CoA-bond45" atomRefs="Fatty-Acyl-CoA-atom11 Fatty-Acyl-CoA-atom44" order="1"/> <bond id="Fatty-Acyl-CoA-bond46" atomRefs="Fatty-Acyl-CoA-atom11 Fatty-Acyl-CoA-atom20" order="1"/> <bond id="Fatty-Acyl-CoA-bond47" atomRefs="Fatty-Acyl-CoA-atom10 Fatty-Acyl-CoA-atom18" order="1"/> <bond id="Fatty-Acyl-CoA-bond48" atomRefs="Fatty-Acyl-CoA-atom9 Fatty-Acyl-CoA-atom33" order="1"/> <bond id="Fatty-Acyl-CoA-bond49" atomRefs="Fatty-Acyl-CoA-atom8 Fatty-Acyl-CoA-atom48" order="A"/> <bond id="Fatty-Acyl-CoA-bond50" atomRefs="Fatty-Acyl-CoA-atom8 Fatty-Acyl-CoA-atom19" order="A"/> <bond id="Fatty-Acyl-CoA-bond51" atomRefs="Fatty-Acyl-CoA-atom7 Fatty-Acyl-CoA-atom44" order="1"/> <bond id="Fatty-Acyl-CoA-bond52" atomRefs="Fatty-Acyl-CoA-atom6 Fatty-Acyl-CoA-atom13" order="1"/> <bond id="Fatty-Acyl-CoA-bond53" atomRefs="Fatty-Acyl-CoA-atom5 Fatty-Acyl-CoA-atom24" order="2"/> <bond id="Fatty-Acyl-CoA-bond54" atomRefs="Fatty-Acyl-CoA-atom4 Fatty-Acyl-CoA-atom24" order="1"/> <bond id="Fatty-Acyl-CoA-bond55" atomRefs="Fatty-Acyl-CoA-atom3 Fatty-Acyl-CoA-atom11" order="1"/> <bond id="Fatty-Acyl-CoA-bond56" atomRefs="Fatty-Acyl-CoA-atom2 Fatty-Acyl-CoA-atom33" order="1"/> <bond id="Fatty-Acyl-CoA-bond57" atomRefs="Fatty-Acyl-CoA-atom1 Fatty-Acyl-CoA-atom37" order="2"/> </bondArray> <formula concise="C 22 H 35 N 7 O 17 R 1 P 3 S 1" formalCharge="0"/> </molecule> </cml>
fructose 1,6 bisphosphate dephosphorylation
phosphatidyl-myo-inositol 4,5-biphosphate
<cml> <molecule id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA" title="phosphatidyl-myo-inositol 4,5-biphosphate" dictRef="dictPHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA"> <atomArray> <atom id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom1" elementType="O" x2="3.022" y2="-10.4575"/> <atom id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom2" elementType="O" x2="1.0186" y2="-8.0523"/> <atom id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom3" elementType="O" x2="13.6789" y2="0.0"/> <atom id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom4" elementType="O" x2="13.6569" y2="-5.5997"/> <atom id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom5" elementType="O" x2="6.0517" y2="-2.8"/> <atom id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom6" elementType="O" x2="7.4409" y2="-1.4"/> <atom id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom7" elementType="O" x2="9.8658" y2="0.0"/> <atom id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom8" elementType="O" x2="8.8515" y2="-5.165"/> <atom id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom9" elementType="O" x2="13.6727" y2="-2.7999"/> <atom id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom10" elementType="O" x2="15.0907" y2="-1.4"/> <atom id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom11" elementType="O" x2="12.2657" y2="-6.9995"/> <atom id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom12" elementType="O" x2="10.8569" y2="-5.5999"/> <atom id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom13" elementType="O" x2="6.0499" y2="-5.5999"/> <atom id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom14" elementType="R" x2="5.516" y2="-10.5666"/> <atom id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom15" elementType="R" x2="0.0" y2="-5.6927"/> <atom id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom16" elementType="C" x2="3.2968" y2="-7.4892"/> <atom id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom17" elementType="C" x2="4.6484" y2="-5.5999"/> <atom id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom18" elementType="O" x2="4.2873" y2="-8.4787"/> <atom id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom19" elementType="O" x2="4.641" y2="-4.2"/> <atom id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom20" elementType="O" x2="2.0052" y2="-5.6581"/> <atom id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom21" elementType="O" x2="12.2907" y2="-1.4"/> <atom id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom22" elementType="O" x2="12.2907" y2="-4.2"/> <atom id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom23" elementType="O" x2="7.4409" y2="-4.2"/> <atom id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom24" elementType="C" x2="4.2967" y2="-9.8787"/> <atom id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom25" elementType="C" x2="1.0195" y2="-6.6523"/> <atom id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom26" elementType="C" x2="3.3369" y2="-6.0898"/> <atom id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom27" elementType="C" x2="8.6534" y2="-2.1"/> <atom id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom28" elementType="C" x2="9.8658" y2="-1.4"/> <atom id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom29" elementType="C" x2="9.8658" y2="-4.2"/> <atom id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom30" elementType="C" x2="8.6534" y2="-3.5"/> <atom id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom31" elementType="C" x2="11.0782" y2="-2.1"/> <atom id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom32" elementType="C" x2="11.0782" y2="-3.5"/> <atom id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom33" elementType="P" x2="13.6907" y2="-1.4"/> <atom id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom34" elementType="P" x2="12.2569" y2="-5.5995"/> <atom id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom35" elementType="P" x2="6.0409" y2="-4.2"/> </atomArray> <bondArray> <bond id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-bond1" atomRefs="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom31 PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom32" order="1"/> <bond id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-bond2" atomRefs="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom29 PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom32" order="1"/> <bond id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-bond3" atomRefs="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom29 PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom30" order="1"/> <bond id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-bond4" atomRefs="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom28 PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom31" order="1"/> <bond id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-bond5" atomRefs="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom27 PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom30" order="1"/> <bond id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-bond6" atomRefs="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom27 PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom28" order="1"/> <bond id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-bond7" atomRefs="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom23 PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom35" order="1"/> <bond id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-bond8" atomRefs="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom30 PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom23" order="1"/> <bond id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-bond9" atomRefs="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom22 PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom34" order="1"/> <bond id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-bond10" atomRefs="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom32 PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom22" order="1"/> <bond id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-bond11" atomRefs="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom21 PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom33" order="1"/> <bond id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-bond12" atomRefs="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom31 PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom21" order="1"/> <bond id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-bond13" atomRefs="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom26 PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom20" order="1"/> <bond id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-bond14" atomRefs="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom20 PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom25" order="1"/> <bond id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-bond15" atomRefs="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom19 PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom35" order="1"/> <bond id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-bond16" atomRefs="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom18 PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom24" order="1"/> <bond id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-bond17" atomRefs="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom17 PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom26" order="1"/> <bond id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-bond18" atomRefs="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom17 PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom19" order="1"/> <bond id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-bond19" atomRefs="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom16 PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom26" order="1"/> <bond id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-bond20" atomRefs="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom16 PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom18" order="1"/> <bond id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-bond21" atomRefs="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom15 PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom25" order="1"/> <bond id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-bond22" atomRefs="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom14 PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom24" order="1"/> <bond id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-bond23" atomRefs="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom13 PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom35" order="1"/> <bond id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-bond24" atomRefs="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom12 PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom34" order="1"/> <bond id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-bond25" atomRefs="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom11 PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom34" order="1"/> <bond id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-bond26" atomRefs="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom10 PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom33" order="1"/> <bond id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-bond27" atomRefs="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom9 PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom33" order="1"/> <bond id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-bond28" atomRefs="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom29 PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom8" order="1"/> <bond id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-bond29" atomRefs="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom28 PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom7" order="1"/> <bond id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-bond30" atomRefs="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom27 PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom6" order="1"/> <bond id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-bond31" atomRefs="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom5 PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom35" order="2"/> <bond id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-bond32" atomRefs="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom4 PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom34" order="2"/> <bond id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-bond33" atomRefs="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom3 PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom33" order="2"/> <bond id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-bond34" atomRefs="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom2 PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom25" order="2"/> <bond id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-bond35" atomRefs="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom1 PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom24" order="2"/> </bondArray> <formula concise="C 11 H 19 O 19 R 2 P 3" formalCharge="0"/> </molecule> </cml>
1-Phosphatidyl-1D-myo-inositol 4,5-bisphosphate
1-phosphatidylinositol-4,5-bisphosphate phosphodiesterase
<atom id="inositol_1,4,5-trisphosphate-atom1" elementType="O" x2="-1.6727" y2="0.8752"/> <atom id="inositol_1,4,5-trisphosphate-atom2" elementType="O" x2="-1.643" y2="-0.9102"/> <atom id="inositol_1,4,5-trisphosphate-atom3" elementType="P" x2="-2.1278" y2="-1.587"/> <atom id="inositol_1,4,5-trisphosphate-atom4" elementType="O" x2="-2.8764" y2="-1.2475"/> <atom id="inositol_1,4,5-trisphosphate-atom5" elementType="O" x2="-1.373" y2="-1.9361"/> <atom id="inositol_1,4,5-trisphosphate-atom6" elementType="O" x2="-2.3929" y2="-2.3666" formalCharge="-1"/> <atom id="inositol_1,4,5-trisphosphate-atom7" elementType="O" x2="-0.2033" y2="-1.7446"/> <atom id="inositol_1,4,5-trisphosphate-atom8" elementType="O" x2="1.2501" y2="-0.9389"/> <atom id="inositol_1,4,5-trisphosphate-atom9" elementType="P" x2="2.1095" y2="-0.8696"/> <atom id="inositol_1,4,5-trisphosphate-atom10" elementType="O" x2="2.4031" y2="-1.6448"/> <atom id="inositol_1,4,5-trisphosphate-atom11" elementType="O" x2="1.9952" y2="-0.0733"/> <atom id="inositol_1,4,5-trisphosphate-atom12" elementType="O" x2="2.8842" y2="-0.5011" formalCharge="-1"/> <atom id="inositol_1,4,5-trisphosphate-atom13" elementType="O" x2="1.2827" y2="0.7392"/> <atom id="inositol_1,4,5-trisphosphate-atom14" elementType="P" x2="1.5896" y2="1.4822"/> <atom id="inositol_1,4,5-trisphosphate-atom15" elementType="O" x2="2.4156" y2="1.4591"/> <atom id="inositol_1,4,5-trisphosphate-atom16" elementType="O" x2="0.7962" y2="1.63"/> <atom id="inositol_1,4,5-trisphosphate-atom17" elementType="O" x2="1.7393" y2="2.2671" formalCharge="-1"/> <atom id="inositol_1,4,5-trisphosphate-atom18" elementType="O" x2="-0.2042" y2="1.6588"/> <atom id="inositol_1,4,5-trisphosphate-atom19" elementType="C" x2="-0.25" y2="0.7938"/> <atom id="inositol_1,4,5-trisphosphate-atom20" elementType="C" x2="0.4645" y2="0.3813"/> <atom id="inositol_1,4,5-trisphosphate-atom21" elementType="C" x2="0.4645" y2="-0.4438"/> <atom id="inositol_1,4,5-trisphosphate-atom22" elementType="C" x2="-0.25" y2="-0.8563"/> <atom id="inositol_1,4,5-trisphosphate-atom23" elementType="C" x2="-0.9645" y2="-0.4438"/> <atom id="inositol_1,4,5-trisphosphate-atom24" elementType="C" x2="-0.9645" y2="0.3813"/> <bond id="inositol_1,4,5-trisphosphate-bond1" atomRefs="inositol_1,4,5-trisphosphate-atom24 inositol_1,4,5-trisphosphate-atom1" order="1"/> <bond id="inositol_1,4,5-trisphosphate-bond2" atomRefs="inositol_1,4,5-trisphosphate-atom23 inositol_1,4,5-trisphosphate-atom2" order="1"/> <bond id="inositol_1,4,5-trisphosphate-bond3" atomRefs="inositol_1,4,5-trisphosphate-atom19 inositol_1,4,5-trisphosphate-atom18" order="1"/> <bond id="inositol_1,4,5-trisphosphate-bond4" atomRefs="inositol_1,4,5-trisphosphate-atom20 inositol_1,4,5-trisphosphate-atom13" order="1"/> <bond id="inositol_1,4,5-trisphosphate-bond5" atomRefs="inositol_1,4,5-trisphosphate-atom21 inositol_1,4,5-trisphosphate-atom8" order="1"/> <bond id="inositol_1,4,5-trisphosphate-bond6" atomRefs="inositol_1,4,5-trisphosphate-atom22 inositol_1,4,5-trisphosphate-atom7" order="1"/> <bond id="inositol_1,4,5-trisphosphate-bond7" atomRefs="inositol_1,4,5-trisphosphate-atom23 inositol_1,4,5-trisphosphate-atom24" order="1"/> <bond id="inositol_1,4,5-trisphosphate-bond8" atomRefs="inositol_1,4,5-trisphosphate-atom22 inositol_1,4,5-trisphosphate-atom23" order="1"/> <bond id="inositol_1,4,5-trisphosphate-bond9" atomRefs="inositol_1,4,5-trisphosphate-atom21 inositol_1,4,5-trisphosphate-atom22" order="1"/> <bond id="inositol_1,4,5-trisphosphate-bond10" atomRefs="inositol_1,4,5-trisphosphate-atom20 inositol_1,4,5-trisphosphate-atom21" order="1"/> <bond id="inositol_1,4,5-trisphosphate-bond11" atomRefs="inositol_1,4,5-trisphosphate-atom19 inositol_1,4,5-trisphosphate-atom24" order="1"/> <bond id="inositol_1,4,5-trisphosphate-bond12" atomRefs="inositol_1,4,5-trisphosphate-atom19 inositol_1,4,5-trisphosphate-atom20" order="1"/> <bond id="inositol_1,4,5-trisphosphate-bond13" atomRefs="inositol_1,4,5-trisphosphate-atom14 inositol_1,4,5-trisphosphate-atom17" order="1"/> <bond id="inositol_1,4,5-trisphosphate-bond14" atomRefs="inositol_1,4,5-trisphosphate-atom14 inositol_1,4,5-trisphosphate-atom16" order="1"/> <bond id="inositol_1,4,5-trisphosphate-bond15" atomRefs="inositol_1,4,5-trisphosphate-atom14 inositol_1,4,5-trisphosphate-atom15" order="2"/> <bond id="inositol_1,4,5-trisphosphate-bond16" atomRefs="inositol_1,4,5-trisphosphate-atom13 inositol_1,4,5-trisphosphate-atom14" order="1"/> <bond id="inositol_1,4,5-trisphosphate-bond17" atomRefs="inositol_1,4,5-trisphosphate-atom9 inositol_1,4,5-trisphosphate-atom12" order="1"/> <bond id="inositol_1,4,5-trisphosphate-bond18" atomRefs="inositol_1,4,5-trisphosphate-atom9 inositol_1,4,5-trisphosphate-atom11" order="1"/> <bond id="inositol_1,4,5-trisphosphate-bond19" atomRefs="inositol_1,4,5-trisphosphate-atom9 inositol_1,4,5-trisphosphate-atom10" order="2"/> <bond id="inositol_1,4,5-trisphosphate-bond20" atomRefs="inositol_1,4,5-trisphosphate-atom8 inositol_1,4,5-trisphosphate-atom9" order="1"/> <bond id="inositol_1,4,5-trisphosphate-bond21" atomRefs="inositol_1,4,5-trisphosphate-atom3 inositol_1,4,5-trisphosphate-atom6" order="1"/> <bond id="inositol_1,4,5-trisphosphate-bond22" atomRefs="inositol_1,4,5-trisphosphate-atom3 inositol_1,4,5-trisphosphate-atom5" order="1"/> <bond id="inositol_1,4,5-trisphosphate-bond23" atomRefs="inositol_1,4,5-trisphosphate-atom3 inositol_1,4,5-trisphosphate-atom4" order="2"/> <bond id="inositol_1,4,5-trisphosphate-bond24" atomRefs="inositol_1,4,5-trisphosphate-atom2 inositol_1,4,5-trisphosphate-atom3" order="1"/> <formula concise="C 6 H 12 O 15 P 3" formalCharge="0"/> 417.073 C1(C(OP(O)([O-])=O)C(OP(O)([O-])=O)C(O)C(C(O)1)OP(O)([O-])=O)(O)
1D-myo-inositol (1,4,5)-trisphosphate
Glycerophosphoryl diester phosphodiesterase
Guanosine-3',5'-bis(diphosphate) 3'-pyrophosphohydrolase
Penta-phosphate guanosine-3'-diphosphohydrolase
Penta-phosphate guanosine-3'-pyrophosphohydrolase
Guanosine-3',5'-bis(diphosphate) 3'-diphosphohydrolase
<atom id="DIETHYLTHIOPHOSPHATE-atom1" elementType="O" x2="4.3633" y2="-1.5346"/> <atom id="DIETHYLTHIOPHOSPHATE-atom2" elementType="P" x2="4.7768" y2="-2.2485"/> <atom id="DIETHYLTHIOPHOSPHATE-atom3" elementType="O" x2="5.3583" y2="-1.6583"/> <atom id="DIETHYLTHIOPHOSPHATE-atom4" elementType="O" x2="5.3583" y2="-2.8292"/> <atom id="DIETHYLTHIOPHOSPHATE-atom5" elementType="S" x2="4.1832" y2="-2.8215"/> <atom id="DIETHYLTHIOPHOSPHATE-atom6" elementType="C" x2="6.1568" y2="-1.866"/> <atom id="DIETHYLTHIOPHOSPHATE-atom7" elementType="C" x2="6.7358" y2="-1.2783"/> <atom id="DIETHYLTHIOPHOSPHATE-atom8" elementType="C" x2="5.1454" y2="-3.6262"/> <atom id="DIETHYLTHIOPHOSPHATE-atom9" elementType="C" x2="5.9375" y2="-3.8375"/> <bond id="DIETHYLTHIOPHOSPHATE-bond1" atomRefs="DIETHYLTHIOPHOSPHATE-atom8 DIETHYLTHIOPHOSPHATE-atom9" order="1"/> <bond id="DIETHYLTHIOPHOSPHATE-bond2" atomRefs="DIETHYLTHIOPHOSPHATE-atom4 DIETHYLTHIOPHOSPHATE-atom8" order="1"/> <bond id="DIETHYLTHIOPHOSPHATE-bond3" atomRefs="DIETHYLTHIOPHOSPHATE-atom2 DIETHYLTHIOPHOSPHATE-atom4" order="1"/> <bond id="DIETHYLTHIOPHOSPHATE-bond4" atomRefs="DIETHYLTHIOPHOSPHATE-atom6 DIETHYLTHIOPHOSPHATE-atom7" order="1"/> <bond id="DIETHYLTHIOPHOSPHATE-bond5" atomRefs="DIETHYLTHIOPHOSPHATE-atom1 DIETHYLTHIOPHOSPHATE-atom2" order="1"/> <bond id="DIETHYLTHIOPHOSPHATE-bond6" atomRefs="DIETHYLTHIOPHOSPHATE-atom3 DIETHYLTHIOPHOSPHATE-atom6" order="1"/> <bond id="DIETHYLTHIOPHOSPHATE-bond7" atomRefs="DIETHYLTHIOPHOSPHATE-atom2 DIETHYLTHIOPHOSPHATE-atom3" order="1"/> <bond id="DIETHYLTHIOPHOSPHATE-bond8" atomRefs="DIETHYLTHIOPHOSPHATE-atom2 DIETHYLTHIOPHOSPHATE-atom5" order="2"/> <formula concise="C 4 H 11 O 3 P 1 S 1" formalCharge="0"/> 170.163 C(C)OP(=S)(O)OCC
<atom id="ALLANTOATE-atom1" elementType="O" x2="-1.0" y2="-0.99667"/> <atom id="ALLANTOATE-atom2" elementType="O" x2="-0.29118" y2="-0.19135"/> <atom id="ALLANTOATE-atom3" elementType="C" x2="0.00166" y2="-0.80366"/> <atom id="ALLANTOATE-atom4" elementType="C" x2="0.00166" y2="-0.43095"/> <atom id="ALLANTOATE-atom5" elementType="C" x2="-0.67388" y2="-0.80366"/> <atom id="ALLANTOATE-atom6" elementType="N" x2="-0.33444" y2="-1.0"/> <atom id="ALLANTOATE-atom7" elementType="N" x2="-0.67388" y2="-0.42429"/> <atom id="ALLANTOATE-atom8" elementType="O" x2="0.99667" y2="-0.99334"/> <atom id="ALLANTOATE-atom9" elementType="N" x2="0.33444" y2="-1.0"/> <atom id="ALLANTOATE-atom10" elementType="O" x2="0.3178" y2="-0.21797"/> <atom id="ALLANTOATE-atom11" elementType="N" x2="0.67055" y2="-0.42429"/> <atom id="ALLANTOATE-atom12" elementType="C" x2="0.67055" y2="-0.80366"/> <bond id="ALLANTOATE-bond1" atomRefs="ALLANTOATE-atom12 ALLANTOATE-atom9" order="1"/> <bond id="ALLANTOATE-bond2" atomRefs="ALLANTOATE-atom11 ALLANTOATE-atom12" order="1"/> <bond id="ALLANTOATE-bond3" atomRefs="ALLANTOATE-atom10 ALLANTOATE-atom4" order="1"/> <bond id="ALLANTOATE-bond4" atomRefs="ALLANTOATE-atom9 ALLANTOATE-atom3" order="1"/> <bond id="ALLANTOATE-bond5" atomRefs="ALLANTOATE-atom8 ALLANTOATE-atom12" order="2"/> <bond id="ALLANTOATE-bond6" atomRefs="ALLANTOATE-atom7 ALLANTOATE-atom5" order="1"/> <bond id="ALLANTOATE-bond7" atomRefs="ALLANTOATE-atom6 ALLANTOATE-atom3" order="1"/> <bond id="ALLANTOATE-bond8" atomRefs="ALLANTOATE-atom5 ALLANTOATE-atom6" order="1"/> <bond id="ALLANTOATE-bond9" atomRefs="ALLANTOATE-atom4 ALLANTOATE-atom3" order="1"/> <bond id="ALLANTOATE-bond10" atomRefs="ALLANTOATE-atom2 ALLANTOATE-atom4" order="2"/> <bond id="ALLANTOATE-bond11" atomRefs="ALLANTOATE-atom1 ALLANTOATE-atom5" order="2"/> <formula concise="C 4 H 8 N 4 O 4" formalCharge="0"/> 176.132 C(C(O)=O)(NC(N)=O)NC(N)=O acetic acid, bis((aminocarbonyl)amino)-
<atom id="AGMATHINE-atom1" elementType="N" x2="-0.42669" y2="-0.99671"/> <atom id="AGMATHINE-atom2" elementType="N" x2="0.99671" y2="-0.83196"/> <atom id="AGMATHINE-atom3" elementType="C" x2="0.14003" y2="-0.99671"/> <atom id="AGMATHINE-atom4" elementType="N" x2="-1.0" y2="-1.0"/> <atom id="AGMATHINE-atom5" elementType="C" x2="-0.14333" y2="-0.83196"/> <atom id="AGMATHINE-atom6" elementType="C" x2="0.42669" y2="-0.83196"/> <atom id="AGMATHINE-atom7" elementType="C" x2="0.71005" y2="-0.99671"/> <atom id="AGMATHINE-atom8" elementType="C" x2="-0.71334" y2="-0.83196"/> <atom id="AGMATHINE-atom9" elementType="N" x2="-0.71334" y2="-0.50247"/> <bond id="AGMATHINE-bond1" atomRefs="AGMATHINE-atom9 AGMATHINE-atom8" order="1"/> <bond id="AGMATHINE-bond2" atomRefs="AGMATHINE-atom7 AGMATHINE-atom6" order="1"/> <bond id="AGMATHINE-bond3" atomRefs="AGMATHINE-atom6 AGMATHINE-atom3" order="1"/> <bond id="AGMATHINE-bond4" atomRefs="AGMATHINE-atom5 AGMATHINE-atom1" order="1"/> <bond id="AGMATHINE-bond5" atomRefs="AGMATHINE-atom4 AGMATHINE-atom8" order="2"/> <bond id="AGMATHINE-bond6" atomRefs="AGMATHINE-atom3 AGMATHINE-atom5" order="1"/> <bond id="AGMATHINE-bond7" atomRefs="AGMATHINE-atom2 AGMATHINE-atom7" order="1"/> <bond id="AGMATHINE-bond8" atomRefs="AGMATHINE-atom1 AGMATHINE-atom8" order="1"/> <formula concise="C 5 H 14 N 4" formalCharge="0"/> 130.192 C(NC(N)=N)CCCN guanidine, (4-aminobutyl)-
<atom id="CYTOSINE-atom1" elementType="H" x2="-0.5179856" y2="0.99640286"/> <atom id="CYTOSINE-atom2" elementType="O" x2="0.42805755" y2="0.60071945"/> <atom id="CYTOSINE-atom3" elementType="N" x2="-0.5215827" y2="-1.0"/> <atom id="CYTOSINE-atom4" elementType="C" x2="-1.0" y2="-0.14748201"/> <atom id="CYTOSINE-atom5" elementType="N" x2="-0.043165468" y2="-0.14748201"/> <atom id="CYTOSINE-atom6" elementType="C" x2="-0.5215827" y2="-0.4676259"/> <atom id="CYTOSINE-atom7" elementType="C" x2="-0.043165468" y2="0.34892085"/> <atom id="CYTOSINE-atom8" elementType="N" x2="-0.5215827" y2="0.64748204"/> <atom id="CYTOSINE-atom9" elementType="C" x2="-1.0" y2="0.34892085"/> <bond id="CYTOSINE-bond1" atomRefs="CYTOSINE-atom9 CYTOSINE-atom8" order="A"/> <bond id="CYTOSINE-bond2" atomRefs="CYTOSINE-atom8 CYTOSINE-atom7" order="A"/> <bond id="CYTOSINE-bond3" atomRefs="CYTOSINE-atom8 CYTOSINE-atom1" order="1"/> <bond id="CYTOSINE-bond4" atomRefs="CYTOSINE-atom7 CYTOSINE-atom5" order="A"/> <bond id="CYTOSINE-bond5" atomRefs="CYTOSINE-atom6 CYTOSINE-atom4" order="A"/> <bond id="CYTOSINE-bond6" atomRefs="CYTOSINE-atom5 CYTOSINE-atom6" order="A"/> <bond id="CYTOSINE-bond7" atomRefs="CYTOSINE-atom4 CYTOSINE-atom9" order="A"/> <bond id="CYTOSINE-bond8" atomRefs="CYTOSINE-atom3 CYTOSINE-atom6" order="1"/> <bond id="CYTOSINE-bond9" atomRefs="CYTOSINE-atom2 CYTOSINE-atom7" order="2"/> <formula concise="C 4 H 5 N 3 O 1" formalCharge="0"/> 111.103 c1(N)(cc[nH]c(n1)=O)
<atom id="PHOSPHORIBOSYL-AMP-atom1" elementType="O" x2="5.313" y2="-3.3049"/> <atom id="PHOSPHORIBOSYL-AMP-atom2" elementType="O" x2="7.2891" y2="-1.3253"/> <atom id="PHOSPHORIBOSYL-AMP-atom3" elementType="O" x2="5.3105" y2="-1.6639"/> <atom id="PHOSPHORIBOSYL-AMP-atom4" elementType="C" x2="9.9778" y2="-4.7867"/> <atom id="PHOSPHORIBOSYL-AMP-atom5" elementType="C" x2="6.7454" y2="-3.0291"/> <atom id="PHOSPHORIBOSYL-AMP-atom6" elementType="N" x2="9.4969" y2="-5.4609"/> <atom id="PHOSPHORIBOSYL-AMP-atom7" elementType="N" x2="7.9875" y2="-3.9567"/> <atom id="PHOSPHORIBOSYL-AMP-atom8" elementType="O" x2="6.1335" y2="-2.4826"/> <atom id="PHOSPHORIBOSYL-AMP-atom9" elementType="O" x2="8.1839" y2="-3.2502"/> <atom id="PHOSPHORIBOSYL-AMP-atom10" elementType="C" x2="7.2769" y2="-4.3761"/> <atom id="PHOSPHORIBOSYL-AMP-atom11" elementType="C" x2="7.9875" y2="-5.6161"/> <atom id="PHOSPHORIBOSYL-AMP-atom12" elementType="C" x2="8.7072" y2="-5.2058"/> <atom id="PHOSPHORIBOSYL-AMP-atom13" elementType="C" x2="8.7072" y2="-4.3761"/> <atom id="PHOSPHORIBOSYL-AMP-atom14" elementType="C" x2="7.5247" y2="-2.7725"/> <atom id="PHOSPHORIBOSYL-AMP-atom15" elementType="C" x2="7.7737" y2="-1.9874"/> <atom id="PHOSPHORIBOSYL-AMP-atom16" elementType="C" x2="8.5987" y2="-1.9874"/> <atom id="PHOSPHORIBOSYL-AMP-atom17" elementType="C" x2="8.8524" y2="-2.7725"/> <atom id="PHOSPHORIBOSYL-AMP-atom18" elementType="N" x2="7.2769" y2="-5.2058"/> <atom id="PHOSPHORIBOSYL-AMP-atom19" elementType="N" x2="9.4949" y2="-4.1282"/> <atom id="PHOSPHORIBOSYL-AMP-atom20" elementType="P" x2="5.3121" y2="-2.4844"/> <atom id="PHOSPHORIBOSYL-AMP-atom21" elementType="O" x2="9.0842" y2="-1.3204"/> <atom id="PHOSPHORIBOSYL-AMP-atom22" elementType="O" x2="4.4916" y2="-2.4844"/> <atom id="PHOSPHORIBOSYL-AMP-atom23" elementType="N" x2="7.9852" y2="-6.4411"/> <atom id="PHOSPHORIBOSYL-AMP-atom24" elementType="C" x2="6.3437" y2="-5.5484"/> <atom id="PHOSPHORIBOSYL-AMP-atom25" elementType="C" x2="6.1017" y2="-4.7596"/> <atom id="PHOSPHORIBOSYL-AMP-atom26" elementType="C" x2="5.2768" y2="-4.7461"/> <atom id="PHOSPHORIBOSYL-AMP-atom27" elementType="C" x2="5.009" y2="-5.5264"/> <atom id="PHOSPHORIBOSYL-AMP-atom28" elementType="C" x2="4.304" y2="-5.9548"/> <atom id="PHOSPHORIBOSYL-AMP-atom29" elementType="O" x2="3.5804" y2="-5.5584"/> <atom id="PHOSPHORIBOSYL-AMP-atom30" elementType="O" x2="2.7554" y2="-4.7334"/> <atom id="PHOSPHORIBOSYL-AMP-atom31" elementType="O" x2="1.9304" y2="-5.5584"/> <atom id="PHOSPHORIBOSYL-AMP-atom32" elementType="O" x2="2.7554" y2="-6.3834"/> <atom id="PHOSPHORIBOSYL-AMP-atom33" elementType="P" x2="2.7554" y2="-5.5584"/> <atom id="PHOSPHORIBOSYL-AMP-atom34" elementType="O" x2="4.8029" y2="-4.0708"/> <atom id="PHOSPHORIBOSYL-AMP-atom35" elementType="O" x2="6.5975" y2="-4.1003"/> <atom id="PHOSPHORIBOSYL-AMP-atom36" elementType="O" x2="5.6684" y2="-6.0222"/> <bond id="PHOSPHORIBOSYL-AMP-bond1" atomRefs="PHOSPHORIBOSYL-AMP-atom33 PHOSPHORIBOSYL-AMP-atom30" order="2"/> <bond id="PHOSPHORIBOSYL-AMP-bond2" atomRefs="PHOSPHORIBOSYL-AMP-atom33 PHOSPHORIBOSYL-AMP-atom32" order="1"/> <bond id="PHOSPHORIBOSYL-AMP-bond3" atomRefs="PHOSPHORIBOSYL-AMP-atom33 PHOSPHORIBOSYL-AMP-atom31" order="1"/> <bond id="PHOSPHORIBOSYL-AMP-bond4" atomRefs="PHOSPHORIBOSYL-AMP-atom29 PHOSPHORIBOSYL-AMP-atom33" order="1"/> <bond id="PHOSPHORIBOSYL-AMP-bond5" atomRefs="PHOSPHORIBOSYL-AMP-atom28 PHOSPHORIBOSYL-AMP-atom29" order="1"/> <bond id="PHOSPHORIBOSYL-AMP-bond6" atomRefs="PHOSPHORIBOSYL-AMP-atom27 PHOSPHORIBOSYL-AMP-atom28" order="1"/> <bond id="PHOSPHORIBOSYL-AMP-bond7" atomRefs="PHOSPHORIBOSYL-AMP-atom26 PHOSPHORIBOSYL-AMP-atom34" order="1"/> <bond id="PHOSPHORIBOSYL-AMP-bond8" atomRefs="PHOSPHORIBOSYL-AMP-atom25 PHOSPHORIBOSYL-AMP-atom35" order="1"/> <bond id="PHOSPHORIBOSYL-AMP-bond9" atomRefs="PHOSPHORIBOSYL-AMP-atom27 PHOSPHORIBOSYL-AMP-atom36" order="1"/> <bond id="PHOSPHORIBOSYL-AMP-bond10" atomRefs="PHOSPHORIBOSYL-AMP-atom26 PHOSPHORIBOSYL-AMP-atom27" order="1"/> <bond id="PHOSPHORIBOSYL-AMP-bond11" atomRefs="PHOSPHORIBOSYL-AMP-atom25 PHOSPHORIBOSYL-AMP-atom26" order="1"/> <bond id="PHOSPHORIBOSYL-AMP-bond12" atomRefs="PHOSPHORIBOSYL-AMP-atom25 PHOSPHORIBOSYL-AMP-atom24" order="1"/> <bond id="PHOSPHORIBOSYL-AMP-bond13" atomRefs="PHOSPHORIBOSYL-AMP-atom36 PHOSPHORIBOSYL-AMP-atom24" order="1"/> <bond id="PHOSPHORIBOSYL-AMP-bond14" atomRefs="PHOSPHORIBOSYL-AMP-atom24 PHOSPHORIBOSYL-AMP-atom18" order="1"/> <bond id="PHOSPHORIBOSYL-AMP-bond15" atomRefs="PHOSPHORIBOSYL-AMP-atom16 PHOSPHORIBOSYL-AMP-atom21" order="1"/> <bond id="PHOSPHORIBOSYL-AMP-bond16" atomRefs="PHOSPHORIBOSYL-AMP-atom23 PHOSPHORIBOSYL-AMP-atom11" order="2"/> <bond id="PHOSPHORIBOSYL-AMP-bond17" atomRefs="PHOSPHORIBOSYL-AMP-atom1 PHOSPHORIBOSYL-AMP-atom20" order="2"/> <bond id="PHOSPHORIBOSYL-AMP-bond18" atomRefs="PHOSPHORIBOSYL-AMP-atom15 PHOSPHORIBOSYL-AMP-atom2" order="1"/> <bond id="PHOSPHORIBOSYL-AMP-bond19" atomRefs="PHOSPHORIBOSYL-AMP-atom3 PHOSPHORIBOSYL-AMP-atom20" order="1"/> <bond id="PHOSPHORIBOSYL-AMP-bond20" atomRefs="PHOSPHORIBOSYL-AMP-atom6 PHOSPHORIBOSYL-AMP-atom4" order="A"/> <bond id="PHOSPHORIBOSYL-AMP-bond21" atomRefs="PHOSPHORIBOSYL-AMP-atom4 PHOSPHORIBOSYL-AMP-atom19" order="A"/> <bond id="PHOSPHORIBOSYL-AMP-bond22" atomRefs="PHOSPHORIBOSYL-AMP-atom5 PHOSPHORIBOSYL-AMP-atom8" order="1"/> <bond id="PHOSPHORIBOSYL-AMP-bond23" atomRefs="PHOSPHORIBOSYL-AMP-atom14 PHOSPHORIBOSYL-AMP-atom5" order="1"/> <bond id="PHOSPHORIBOSYL-AMP-bond24" atomRefs="PHOSPHORIBOSYL-AMP-atom12 PHOSPHORIBOSYL-AMP-atom6" order="A"/> <bond id="PHOSPHORIBOSYL-AMP-bond25" atomRefs="PHOSPHORIBOSYL-AMP-atom10 PHOSPHORIBOSYL-AMP-atom7" order="A"/> <bond id="PHOSPHORIBOSYL-AMP-bond26" atomRefs="PHOSPHORIBOSYL-AMP-atom7 PHOSPHORIBOSYL-AMP-atom13" order="A"/> <bond id="PHOSPHORIBOSYL-AMP-bond27" atomRefs="PHOSPHORIBOSYL-AMP-atom8 PHOSPHORIBOSYL-AMP-atom20" order="1"/> <bond id="PHOSPHORIBOSYL-AMP-bond28" atomRefs="PHOSPHORIBOSYL-AMP-atom9 PHOSPHORIBOSYL-AMP-atom14" order="1"/> <bond id="PHOSPHORIBOSYL-AMP-bond29" atomRefs="PHOSPHORIBOSYL-AMP-atom9 PHOSPHORIBOSYL-AMP-atom17" order="1"/> <bond id="PHOSPHORIBOSYL-AMP-bond30" atomRefs="PHOSPHORIBOSYL-AMP-atom22 PHOSPHORIBOSYL-AMP-atom20" order="1"/> <bond id="PHOSPHORIBOSYL-AMP-bond31" atomRefs="PHOSPHORIBOSYL-AMP-atom18 PHOSPHORIBOSYL-AMP-atom10" order="A"/> <bond id="PHOSPHORIBOSYL-AMP-bond32" atomRefs="PHOSPHORIBOSYL-AMP-atom12 PHOSPHORIBOSYL-AMP-atom11" order="A"/> <bond id="PHOSPHORIBOSYL-AMP-bond33" atomRefs="PHOSPHORIBOSYL-AMP-atom11 PHOSPHORIBOSYL-AMP-atom18" order="A"/> <bond id="PHOSPHORIBOSYL-AMP-bond34" atomRefs="PHOSPHORIBOSYL-AMP-atom13 PHOSPHORIBOSYL-AMP-atom12" order="A"/> <bond id="PHOSPHORIBOSYL-AMP-bond35" atomRefs="PHOSPHORIBOSYL-AMP-atom19 PHOSPHORIBOSYL-AMP-atom13" order="A"/> <bond id="PHOSPHORIBOSYL-AMP-bond36" atomRefs="PHOSPHORIBOSYL-AMP-atom14 PHOSPHORIBOSYL-AMP-atom15" order="1"/> <bond id="PHOSPHORIBOSYL-AMP-bond37" atomRefs="PHOSPHORIBOSYL-AMP-atom15 PHOSPHORIBOSYL-AMP-atom16" order="1"/> <bond id="PHOSPHORIBOSYL-AMP-bond38" atomRefs="PHOSPHORIBOSYL-AMP-atom16 PHOSPHORIBOSYL-AMP-atom17" order="1"/> <bond id="PHOSPHORIBOSYL-AMP-bond39" atomRefs="PHOSPHORIBOSYL-AMP-atom17 PHOSPHORIBOSYL-AMP-atom19" order="1"/> <formula concise="C 15 H 23 N 5 O 14 P 2" formalCharge="0"/> 559.319 C(OP(O)(=O)O)C1(OC(C(O)C(O)1)n3(c2(ncn(c(=N)c2nc3)C4(OC(C(O)C(O)4)COP(O)(=O)O))))
<atom id="ACRYLONITRILE-atom1" elementType="C" x2="2.866" y2="-0.5"/> <atom id="ACRYLONITRILE-atom2" elementType="C" x2="3.7321" y2="0.0"/> <atom id="ACRYLONITRILE-atom3" elementType="C" x2="2.0" y2="0.0"/> <atom id="ACRYLONITRILE-atom4" elementType="N" x2="4.5981" y2="0.5"/> <bond id="ACRYLONITRILE-bond1" atomRefs="ACRYLONITRILE-atom1 ACRYLONITRILE-atom2" order="1"/> <bond id="ACRYLONITRILE-bond2" atomRefs="ACRYLONITRILE-atom1 ACRYLONITRILE-atom3" order="2"/> <bond id="ACRYLONITRILE-bond3" atomRefs="ACRYLONITRILE-atom2 ACRYLONITRILE-atom4" order="3"/> <formula concise="C 3 H 3 N 1" formalCharge="0"/> 53.063 C(#N)C=C
Guanosine-5'-triphosphate,3'-diphosphate pyrophosphatase
Guanosine pentaphosphate phosphohydrolase
Guanosine-5'-triphosphate,3'-diphosphate diphosphatase
<atom id="OH-atom1" elementType="O" x2="0.79" y2="0.47" formalCharge="-1"/> <atom id="OH-atom2" elementType="H" x2="-1.57" y2="0.47"/> <bond id="OH-bond1" atomRefs="OH-atom2 OH-atom1" order="1"/> <formula concise="H 1 O 1" formalCharge="-1"/> 17.007 [OH-]
Phosphoribosylaminoimidazole carboxylase
<atom id="CPD-183-atom1" elementType="C" x2="3.15" y2="-0.6208"/> <atom id="CPD-183-atom2" elementType="C" x2="3.15" y2="-1.3792"/> <atom id="CPD-183-atom3" elementType="C" x2="3.7995" y2="-1.7625"/> <atom id="CPD-183-atom4" elementType="C" x2="4.4574" y2="-1.3792"/> <atom id="CPD-183-atom5" elementType="C" x2="4.4574" y2="-0.6208"/> <atom id="CPD-183-atom6" elementType="C" x2="3.7995" y2="-0.2458"/> <atom id="CPD-183-atom7" elementType="C" x2="3.7975" y2="0.5042"/> <atom id="CPD-183-atom8" elementType="O" x2="4.4471" y2="0.8787"/> <atom id="CPD-183-atom9" elementType="O" x2="3.1456" y2="0.8753"/> <atom id="CPD-183-atom10" elementType="O" x2="5.1076" y2="-1.7529"/> <atom id="CPD-183-atom11" elementType="O" x2="3.7974" y2="-2.5125"/> <atom id="CPD-183-atom12" elementType="O" x2="2.4987" y2="-1.7511"/> <bond id="CPD-183-bond1" atomRefs="CPD-183-atom2 CPD-183-atom12" order="1"/> <bond id="CPD-183-bond2" atomRefs="CPD-183-atom3 CPD-183-atom11" order="1"/> <bond id="CPD-183-bond3" atomRefs="CPD-183-atom4 CPD-183-atom10" order="1"/> <bond id="CPD-183-bond4" atomRefs="CPD-183-atom6 CPD-183-atom7" order="1"/> <bond id="CPD-183-bond5" atomRefs="CPD-183-atom7 CPD-183-atom9" order="2"/> <bond id="CPD-183-bond6" atomRefs="CPD-183-atom7 CPD-183-atom8" order="1"/> <bond id="CPD-183-bond7" atomRefs="CPD-183-atom6 CPD-183-atom5" order="A"/> <bond id="CPD-183-bond8" atomRefs="CPD-183-atom5 CPD-183-atom4" order="A"/> <bond id="CPD-183-bond9" atomRefs="CPD-183-atom4 CPD-183-atom3" order="A"/> <bond id="CPD-183-bond10" atomRefs="CPD-183-atom3 CPD-183-atom2" order="A"/> <bond id="CPD-183-bond11" atomRefs="CPD-183-atom2 CPD-183-atom1" order="A"/> <bond id="CPD-183-bond12" atomRefs="CPD-183-atom1 CPD-183-atom6" order="A"/> <formula concise="C 7 H 6 O 5" formalCharge="0"/> 170.121 C(O)(=O)c1(cc(O)c(O)c(O)c1)
<atom id="UDP-D-XYLOSE-atom1" elementType="H" x2="13.8793" y2="-9.2773"/> <atom id="UDP-D-XYLOSE-atom2" elementType="O" x2="16.2646" y2="-10.6154"/> <atom id="UDP-D-XYLOSE-atom3" elementType="O" x2="13.8919" y2="-6.5027"/> <atom id="UDP-D-XYLOSE-atom4" elementType="O" x2="8.8482" y2="-5.504"/> <atom id="UDP-D-XYLOSE-atom5" elementType="O" x2="6.1138" y2="-5.504"/> <atom id="UDP-D-XYLOSE-atom6" elementType="O" x2="0.0" y2="-1.3873"/> <atom id="UDP-D-XYLOSE-atom7" elementType="O" x2="2.3662" y2="0.0"/> <atom id="UDP-D-XYLOSE-atom8" elementType="O" x2="12.1391" y2="-2.2071"/> <atom id="UDP-D-XYLOSE-atom9" elementType="O" x2="4.7534" y2="-1.3839"/> <atom id="UDP-D-XYLOSE-atom10" elementType="O" x2="15.1243" y2="-2.205"/> <atom id="UDP-D-XYLOSE-atom11" elementType="O" x2="8.8441" y2="-2.771"/> <atom id="UDP-D-XYLOSE-atom12" elementType="O" x2="6.1138" y2="-2.771"/> <atom id="UDP-D-XYLOSE-atom13" elementType="C" x2="17.467" y2="-8.5656"/> <atom id="UDP-D-XYLOSE-atom14" elementType="C" x2="17.467" y2="-7.1838"/> <atom id="UDP-D-XYLOSE-atom15" elementType="C" x2="1.1866" y2="-3.4465"/> <atom id="UDP-D-XYLOSE-atom16" elementType="C" x2="11.2337" y2="-5.0446"/> <atom id="UDP-D-XYLOSE-atom17" elementType="O" x2="2.3702" y2="-4.1298"/> <atom id="UDP-D-XYLOSE-atom18" elementType="O" x2="10.2147" y2="-4.1345"/> <atom id="UDP-D-XYLOSE-atom19" elementType="O" x2="13.6293" y2="-5.4129"/> <atom id="UDP-D-XYLOSE-atom20" elementType="O" x2="4.7502" y2="-4.133"/> <atom id="UDP-D-XYLOSE-atom21" elementType="O" x2="7.4803" y2="-4.1375"/> <atom id="UDP-D-XYLOSE-atom22" elementType="C" x2="16.2683" y2="-9.2489"/> <atom id="UDP-D-XYLOSE-atom23" elementType="C" x2="15.085" y2="-7.1838"/> <atom id="UDP-D-XYLOSE-atom24" elementType="C" x2="1.1866" y2="-2.0649"/> <atom id="UDP-D-XYLOSE-atom25" elementType="C" x2="2.3702" y2="-1.3665"/> <atom id="UDP-D-XYLOSE-atom26" elementType="C" x2="12.9462" y2="-3.3098"/> <atom id="UDP-D-XYLOSE-atom27" elementType="C" x2="3.5688" y2="-2.0649"/> <atom id="UDP-D-XYLOSE-atom28" elementType="C" x2="14.3201" y2="-3.3098"/> <atom id="UDP-D-XYLOSE-atom29" elementType="C" x2="12.5315" y2="-4.6173"/> <atom id="UDP-D-XYLOSE-atom30" elementType="C" x2="3.5688" y2="-3.4465"/> <atom id="UDP-D-XYLOSE-atom31" elementType="C" x2="14.7426" y2="-4.6173"/> <atom id="UDP-D-XYLOSE-atom32" elementType="N" x2="15.085" y2="-8.5656"/> <atom id="UDP-D-XYLOSE-atom33" elementType="N" x2="16.2683" y2="-6.4855"/> <atom id="UDP-D-XYLOSE-atom34" elementType="P" x2="8.8467" y2="-4.1375"/> <atom id="UDP-D-XYLOSE-atom35" elementType="P" x2="6.1138" y2="-4.1375"/> <bond id="UDP-D-XYLOSE-bond1" atomRefs="UDP-D-XYLOSE-atom31 UDP-D-XYLOSE-atom33" order="1"/> <bond id="UDP-D-XYLOSE-bond2" atomRefs="UDP-D-XYLOSE-atom28 UDP-D-XYLOSE-atom31" order="1"/> <bond id="UDP-D-XYLOSE-bond3" atomRefs="UDP-D-XYLOSE-atom27 UDP-D-XYLOSE-atom30" order="1"/> <bond id="UDP-D-XYLOSE-bond4" atomRefs="UDP-D-XYLOSE-atom26 UDP-D-XYLOSE-atom29" order="1"/> <bond id="UDP-D-XYLOSE-bond5" atomRefs="UDP-D-XYLOSE-atom26 UDP-D-XYLOSE-atom28" order="1"/> <bond id="UDP-D-XYLOSE-bond6" atomRefs="UDP-D-XYLOSE-atom25 UDP-D-XYLOSE-atom27" order="1"/> <bond id="UDP-D-XYLOSE-bond7" atomRefs="UDP-D-XYLOSE-atom24 UDP-D-XYLOSE-atom25" order="1"/> <bond id="UDP-D-XYLOSE-bond8" atomRefs="UDP-D-XYLOSE-atom23 UDP-D-XYLOSE-atom33" order="A"/> <bond id="UDP-D-XYLOSE-bond9" atomRefs="UDP-D-XYLOSE-atom32 UDP-D-XYLOSE-atom23" order="A"/> <bond id="UDP-D-XYLOSE-bond10" atomRefs="UDP-D-XYLOSE-atom22 UDP-D-XYLOSE-atom32" order="A"/> <bond id="UDP-D-XYLOSE-bond11" atomRefs="UDP-D-XYLOSE-atom21 UDP-D-XYLOSE-atom35" order="1"/> <bond id="UDP-D-XYLOSE-bond12" atomRefs="UDP-D-XYLOSE-atom21 UDP-D-XYLOSE-atom34" order="1"/> <bond id="UDP-D-XYLOSE-bond13" atomRefs="UDP-D-XYLOSE-atom20 UDP-D-XYLOSE-atom35" order="1"/> <bond id="UDP-D-XYLOSE-bond14" atomRefs="UDP-D-XYLOSE-atom30 UDP-D-XYLOSE-atom20" order="1"/> <bond id="UDP-D-XYLOSE-bond15" atomRefs="UDP-D-XYLOSE-atom19 UDP-D-XYLOSE-atom31" order="1"/> <bond id="UDP-D-XYLOSE-bond16" atomRefs="UDP-D-XYLOSE-atom19 UDP-D-XYLOSE-atom29" order="1"/> <bond id="UDP-D-XYLOSE-bond17" atomRefs="UDP-D-XYLOSE-atom18 UDP-D-XYLOSE-atom34" order="1"/> <bond id="UDP-D-XYLOSE-bond18" atomRefs="UDP-D-XYLOSE-atom17 UDP-D-XYLOSE-atom30" order="1"/> <bond id="UDP-D-XYLOSE-bond19" atomRefs="UDP-D-XYLOSE-atom29 UDP-D-XYLOSE-atom16" order="1"/> <bond id="UDP-D-XYLOSE-bond20" atomRefs="UDP-D-XYLOSE-atom16 UDP-D-XYLOSE-atom18" order="1"/> <bond id="UDP-D-XYLOSE-bond21" atomRefs="UDP-D-XYLOSE-atom15 UDP-D-XYLOSE-atom24" order="1"/> <bond id="UDP-D-XYLOSE-bond22" atomRefs="UDP-D-XYLOSE-atom15 UDP-D-XYLOSE-atom17" order="1"/> <bond id="UDP-D-XYLOSE-bond23" atomRefs="UDP-D-XYLOSE-atom33 UDP-D-XYLOSE-atom14" order="A"/> <bond id="UDP-D-XYLOSE-bond24" atomRefs="UDP-D-XYLOSE-atom13 UDP-D-XYLOSE-atom22" order="A"/> <bond id="UDP-D-XYLOSE-bond25" atomRefs="UDP-D-XYLOSE-atom14 UDP-D-XYLOSE-atom13" order="A"/> <bond id="UDP-D-XYLOSE-bond26" atomRefs="UDP-D-XYLOSE-atom12 UDP-D-XYLOSE-atom35" order="1"/> <bond id="UDP-D-XYLOSE-bond27" atomRefs="UDP-D-XYLOSE-atom11 UDP-D-XYLOSE-atom34" order="1"/> <bond id="UDP-D-XYLOSE-bond28" atomRefs="UDP-D-XYLOSE-atom28 UDP-D-XYLOSE-atom10" order="1"/> <bond id="UDP-D-XYLOSE-bond29" atomRefs="UDP-D-XYLOSE-atom27 UDP-D-XYLOSE-atom9" order="1"/> <bond id="UDP-D-XYLOSE-bond30" atomRefs="UDP-D-XYLOSE-atom26 UDP-D-XYLOSE-atom8" order="1"/> <bond id="UDP-D-XYLOSE-bond31" atomRefs="UDP-D-XYLOSE-atom25 UDP-D-XYLOSE-atom7" order="1"/> <bond id="UDP-D-XYLOSE-bond32" atomRefs="UDP-D-XYLOSE-atom24 UDP-D-XYLOSE-atom6" order="1"/> <bond id="UDP-D-XYLOSE-bond33" atomRefs="UDP-D-XYLOSE-atom5 UDP-D-XYLOSE-atom35" order="2"/> <bond id="UDP-D-XYLOSE-bond34" atomRefs="UDP-D-XYLOSE-atom4 UDP-D-XYLOSE-atom34" order="2"/> <bond id="UDP-D-XYLOSE-bond35" atomRefs="UDP-D-XYLOSE-atom3 UDP-D-XYLOSE-atom23" order="2"/> <bond id="UDP-D-XYLOSE-bond36" atomRefs="UDP-D-XYLOSE-atom2 UDP-D-XYLOSE-atom22" order="2"/> <bond id="UDP-D-XYLOSE-bond37" atomRefs="UDP-D-XYLOSE-atom1 UDP-D-XYLOSE-atom32" order="1"/> <formula concise="C 14 H 22 N 2 O 16 P 2" formalCharge="0"/> 536.279 c1(n(c(=O)[nH]c(c1)=O)C2(OC(C(O)C2O)COP(=O)(O)OP(=O)(O)OC3(C(O)C(O)C(O)CO3)))
<atom id="DEOXY-RIBOSE-5P-atom1" elementType="O" x2="-0.6484848" y2="-0.5151515"/> <atom id="DEOXY-RIBOSE-5P-atom2" elementType="H" x2="0.8090909" y2="-0.56969696"/> <atom id="DEOXY-RIBOSE-5P-atom3" elementType="C" x2="0.015151516" y2="-0.14848486"/> <atom id="DEOXY-RIBOSE-5P-atom4" elementType="O" x2="-0.6484848" y2="0.2060606"/> <atom id="DEOXY-RIBOSE-5P-atom5" elementType="O" x2="0.5060606" y2="-0.13333334"/> <atom id="DEOXY-RIBOSE-5P-atom6" elementType="P" x2="-0.6484848" y2="-0.14848486"/> <atom id="DEOXY-RIBOSE-5P-atom7" elementType="H" x2="0.9969697" y2="-0.1969697"/> <atom id="DEOXY-RIBOSE-5P-atom8" elementType="O" x2="0.2030303" y2="-1.0"/> <atom id="DEOXY-RIBOSE-5P-atom9" elementType="H" x2="0.015151516" y2="-0.630303"/> <atom id="DEOXY-RIBOSE-5P-atom10" elementType="C" x2="0.9969697" y2="-0.4121212"/> <atom id="DEOXY-RIBOSE-5P-atom11" elementType="O" x2="-0.34545454" y2="-0.14848486"/> <atom id="DEOXY-RIBOSE-5P-atom12" elementType="O" x2="0.9969697" y2="-0.6969697"/> <atom id="DEOXY-RIBOSE-5P-atom13" elementType="C" x2="0.2030303" y2="-0.7848485"/> <atom id="DEOXY-RIBOSE-5P-atom14" elementType="C" x2="0.015151516" y2="-0.4121212"/> <atom id="DEOXY-RIBOSE-5P-atom15" elementType="O" x2="-1.0" y2="-0.14848486"/> <atom id="DEOXY-RIBOSE-5P-atom16" elementType="H" x2="0.2030303" y2="-0.56969696"/> <atom id="DEOXY-RIBOSE-5P-atom17" elementType="H" x2="0.8090909" y2="-1.0"/> <atom id="DEOXY-RIBOSE-5P-atom18" elementType="C" x2="0.8090909" y2="-0.7848485"/> <bond id="DEOXY-RIBOSE-5P-bond1" atomRefs="DEOXY-RIBOSE-5P-atom17 DEOXY-RIBOSE-5P-atom18" order="1"/> <bond id="DEOXY-RIBOSE-5P-bond2" atomRefs="DEOXY-RIBOSE-5P-atom16 DEOXY-RIBOSE-5P-atom13" order="1"/> <bond id="DEOXY-RIBOSE-5P-bond3" atomRefs="DEOXY-RIBOSE-5P-atom15 DEOXY-RIBOSE-5P-atom6" order="1"/> <bond id="DEOXY-RIBOSE-5P-bond4" atomRefs="DEOXY-RIBOSE-5P-atom14 DEOXY-RIBOSE-5P-atom5" order="1"/> <bond id="DEOXY-RIBOSE-5P-bond5" atomRefs="DEOXY-RIBOSE-5P-atom14 DEOXY-RIBOSE-5P-atom13" order="1"/> <bond id="DEOXY-RIBOSE-5P-bond6" atomRefs="DEOXY-RIBOSE-5P-atom13 DEOXY-RIBOSE-5P-atom18" order="1"/> <bond id="DEOXY-RIBOSE-5P-bond7" atomRefs="DEOXY-RIBOSE-5P-atom11 DEOXY-RIBOSE-5P-atom3" order="1"/> <bond id="DEOXY-RIBOSE-5P-bond8" atomRefs="DEOXY-RIBOSE-5P-atom10 DEOXY-RIBOSE-5P-atom12" order="1"/> <bond id="DEOXY-RIBOSE-5P-bond9" atomRefs="DEOXY-RIBOSE-5P-atom10 DEOXY-RIBOSE-5P-atom18" order="1"/> <bond id="DEOXY-RIBOSE-5P-bond10" atomRefs="DEOXY-RIBOSE-5P-atom9 DEOXY-RIBOSE-5P-atom14" order="1"/> <bond id="DEOXY-RIBOSE-5P-bond11" atomRefs="DEOXY-RIBOSE-5P-atom8 DEOXY-RIBOSE-5P-atom13" order="1"/> <bond id="DEOXY-RIBOSE-5P-bond12" atomRefs="DEOXY-RIBOSE-5P-atom7 DEOXY-RIBOSE-5P-atom10" order="1"/> <bond id="DEOXY-RIBOSE-5P-bond13" atomRefs="DEOXY-RIBOSE-5P-atom6 DEOXY-RIBOSE-5P-atom11" order="1"/> <bond id="DEOXY-RIBOSE-5P-bond14" atomRefs="DEOXY-RIBOSE-5P-atom5 DEOXY-RIBOSE-5P-atom10" order="1"/> <bond id="DEOXY-RIBOSE-5P-bond15" atomRefs="DEOXY-RIBOSE-5P-atom4 DEOXY-RIBOSE-5P-atom6" order="2"/> <bond id="DEOXY-RIBOSE-5P-bond16" atomRefs="DEOXY-RIBOSE-5P-atom3 DEOXY-RIBOSE-5P-atom14" order="1"/> <bond id="DEOXY-RIBOSE-5P-bond17" atomRefs="DEOXY-RIBOSE-5P-atom2 DEOXY-RIBOSE-5P-atom18" order="1"/> <bond id="DEOXY-RIBOSE-5P-bond18" atomRefs="DEOXY-RIBOSE-5P-atom1 DEOXY-RIBOSE-5P-atom6" order="1"/> <formula concise="C 5 H 11 O 7 P 1" formalCharge="0"/> 214.111 C(OP(=O)(O)O)[CH]1([CH](O)[CH2][CH](O)O1)
2-dehydro-3-deoxyphosphogluconate aldolase
2-keto-3-deoxy-6-phosphogluconate aldolase
Phospho-2-keto-3-deoxygluconate aldolase
Phospho-2-dehydro-3-deoxygluconate aldolase
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id="N-ACETYLNEURAMINATE-atom25" elementType="C" x2="-0.08784" y2="-0.82095"/> <atom id="N-ACETYLNEURAMINATE-atom26" elementType="C" x2="-0.08446" y2="0.28378"/> <bond id="N-ACETYLNEURAMINATE-bond1" atomRefs="N-ACETYLNEURAMINATE-atom26 N-ACETYLNEURAMINATE-atom4" order="1"/> <bond id="N-ACETYLNEURAMINATE-bond2" atomRefs="N-ACETYLNEURAMINATE-atom24 N-ACETYLNEURAMINATE-atom3" order="1"/> <bond id="N-ACETYLNEURAMINATE-bond3" atomRefs="N-ACETYLNEURAMINATE-atom23 N-ACETYLNEURAMINATE-atom1" order="1"/> <bond id="N-ACETYLNEURAMINATE-bond4" atomRefs="N-ACETYLNEURAMINATE-atom22 N-ACETYLNEURAMINATE-atom26" order="1"/> <bond id="N-ACETYLNEURAMINATE-bond5" atomRefs="N-ACETYLNEURAMINATE-atom21 N-ACETYLNEURAMINATE-atom25" order="1"/> <bond id="N-ACETYLNEURAMINATE-bond6" atomRefs="N-ACETYLNEURAMINATE-atom20 N-ACETYLNEURAMINATE-atom24" order="1"/> <bond id="N-ACETYLNEURAMINATE-bond7" atomRefs="N-ACETYLNEURAMINATE-atom20 N-ACETYLNEURAMINATE-atom1" order="1"/> <bond id="N-ACETYLNEURAMINATE-bond8" atomRefs="N-ACETYLNEURAMINATE-atom19 N-ACETYLNEURAMINATE-atom10" order="1"/> <bond id="N-ACETYLNEURAMINATE-bond9" atomRefs="N-ACETYLNEURAMINATE-atom18 N-ACETYLNEURAMINATE-atom20" order="1"/> <bond id="N-ACETYLNEURAMINATE-bond10" atomRefs="N-ACETYLNEURAMINATE-atom17 N-ACETYLNEURAMINATE-atom18" order="2"/> <bond id="N-ACETYLNEURAMINATE-bond11" atomRefs="N-ACETYLNEURAMINATE-atom16 N-ACETYLNEURAMINATE-atom18" order="1"/> <bond id="N-ACETYLNEURAMINATE-bond12" atomRefs="N-ACETYLNEURAMINATE-atom15 N-ACETYLNEURAMINATE-atom12" order="1"/> <bond id="N-ACETYLNEURAMINATE-bond13" atomRefs="N-ACETYLNEURAMINATE-atom14 N-ACETYLNEURAMINATE-atom2" order="1"/> <bond id="N-ACETYLNEURAMINATE-bond14" atomRefs="N-ACETYLNEURAMINATE-atom13 N-ACETYLNEURAMINATE-atom25" order="1"/> <bond id="N-ACETYLNEURAMINATE-bond15" atomRefs="N-ACETYLNEURAMINATE-atom12 N-ACETYLNEURAMINATE-atom3" order="1"/> <bond id="N-ACETYLNEURAMINATE-bond16" atomRefs="N-ACETYLNEURAMINATE-atom12 N-ACETYLNEURAMINATE-atom25" order="1"/> <bond id="N-ACETYLNEURAMINATE-bond17" atomRefs="N-ACETYLNEURAMINATE-atom11 N-ACETYLNEURAMINATE-atom3" order="1"/> <bond id="N-ACETYLNEURAMINATE-bond18" atomRefs="N-ACETYLNEURAMINATE-atom10 N-ACETYLNEURAMINATE-atom12" order="1"/> <bond id="N-ACETYLNEURAMINATE-bond19" atomRefs="N-ACETYLNEURAMINATE-atom9 N-ACETYLNEURAMINATE-atom19" order="2"/> <bond id="N-ACETYLNEURAMINATE-bond20" atomRefs="N-ACETYLNEURAMINATE-atom8 N-ACETYLNEURAMINATE-atom19" order="1"/> <bond id="N-ACETYLNEURAMINATE-bond21" atomRefs="N-ACETYLNEURAMINATE-atom7 N-ACETYLNEURAMINATE-atom4" order="1"/> <bond id="N-ACETYLNEURAMINATE-bond22" atomRefs="N-ACETYLNEURAMINATE-atom6 N-ACETYLNEURAMINATE-atom20" order="1"/> <bond id="N-ACETYLNEURAMINATE-bond23" atomRefs="N-ACETYLNEURAMINATE-atom5 N-ACETYLNEURAMINATE-atom1" order="1"/> <bond id="N-ACETYLNEURAMINATE-bond24" atomRefs="N-ACETYLNEURAMINATE-atom4 N-ACETYLNEURAMINATE-atom3" order="1"/> <bond id="N-ACETYLNEURAMINATE-bond25" atomRefs="N-ACETYLNEURAMINATE-atom2 N-ACETYLNEURAMINATE-atom26" order="1"/> <bond id="N-ACETYLNEURAMINATE-bond26" atomRefs="N-ACETYLNEURAMINATE-atom1 N-ACETYLNEURAMINATE-atom25" order="1"/> <formula concise="C 11 H 19 N 1 O 9" formalCharge="0"/> 309.272 C(O)C(O)C(O)[CH]1([CH](NC(=O)C)[CH](O)[CH2]C(O)(O1)C(=O)O)
<atom id="S-CITRAMALATE-atom1" elementType="C" x2="2.0083" y2="1.4"/> <atom id="S-CITRAMALATE-atom2" elementType="C" x2="2.6579" y2="1.025"/> <atom id="S-CITRAMALATE-atom3" elementType="C" x2="3.3074" y2="1.4"/> <atom id="S-CITRAMALATE-atom4" elementType="C" x2="3.9569" y2="1.025"/> <atom id="S-CITRAMALATE-atom5" elementType="O" x2="4.6051" y2="1.4021"/> <atom id="S-CITRAMALATE-atom6" elementType="O" x2="3.9544" y2="0.2749"/> <atom id="S-CITRAMALATE-atom7" elementType="O" x2="1.3588" y2="1.025"/> <atom id="S-CITRAMALATE-atom8" elementType="O" x2="2.0083" y2="2.15"/> <atom id="S-CITRAMALATE-atom9" elementType="O" x2="3.5574" y2="0.4625"/> <atom id="S-CITRAMALATE-atom10" elementType="C" x2="2.725" y2="0.5875"/> <bond id="S-CITRAMALATE-bond1" atomRefs="S-CITRAMALATE-atom3 S-CITRAMALATE-atom10" order="1"/> <bond id="S-CITRAMALATE-bond2" atomRefs="S-CITRAMALATE-atom3 S-CITRAMALATE-atom9" order="1"/> <bond id="S-CITRAMALATE-bond3" atomRefs="S-CITRAMALATE-atom1 S-CITRAMALATE-atom8" order="2"/> <bond id="S-CITRAMALATE-bond4" atomRefs="S-CITRAMALATE-atom1 S-CITRAMALATE-atom7" order="1"/> <bond id="S-CITRAMALATE-bond5" atomRefs="S-CITRAMALATE-atom3 S-CITRAMALATE-atom4" order="1"/> <bond id="S-CITRAMALATE-bond6" atomRefs="S-CITRAMALATE-atom4 S-CITRAMALATE-atom6" order="2"/> <bond id="S-CITRAMALATE-bond7" atomRefs="S-CITRAMALATE-atom4 S-CITRAMALATE-atom5" order="1"/> <bond id="S-CITRAMALATE-bond8" atomRefs="S-CITRAMALATE-atom2 S-CITRAMALATE-atom3" order="1"/> <bond id="S-CITRAMALATE-bond9" atomRefs="S-CITRAMALATE-atom1 S-CITRAMALATE-atom2" order="1"/> <formula concise="C 5 H 8 O 5" formalCharge="0"/> 148.115 C(O)(=O)CC(O)(C)C(=O)O butanedioic acid, 2-hydroxy-2-methyl-
<atom id="CPD-618-atom1" elementType="C" x2="1.4708" y2="2.15"/> <atom id="CPD-618-atom2" elementType="C" x2="2.1204" y2="1.775"/> <atom id="CPD-618-atom3" elementType="C" x2="2.8907" y2="2.1208"/> <atom id="CPD-618-atom4" elementType="C" x2="3.5402" y2="1.7458"/> <atom id="CPD-618-atom5" elementType="C" x2="4.1897" y2="2.1208"/> <atom id="CPD-618-atom6" elementType="O" x2="4.2039" y2="2.7541"/> <atom id="CPD-618-atom7" elementType="O" x2="4.8381" y2="1.7436"/> <atom id="CPD-618-atom8" elementType="C" x2="2.8907" y2="2.8708"/> <atom id="CPD-618-atom9" elementType="O" x2="2.24" y2="3.2436"/> <atom id="CPD-618-atom10" elementType="O" x2="3.5416" y2="3.2437"/> <atom id="CPD-618-atom11" elementType="C" x2="2.1204" y2="1.025"/> <atom id="CPD-618-atom12" elementType="O" x2="2.821" y2="0.6522"/> <atom id="CPD-618-atom13" elementType="O" x2="1.4695" y2="0.6521"/> <atom id="CPD-618-atom14" elementType="O" x2="2.1292" y2="2.5083"/> <bond id="CPD-618-bond1" atomRefs="CPD-618-atom2 CPD-618-atom14" order="1"/> <bond id="CPD-618-bond2" atomRefs="CPD-618-atom2 CPD-618-atom11" order="1"/> <bond id="CPD-618-bond3" atomRefs="CPD-618-atom11 CPD-618-atom13" order="2"/> <bond id="CPD-618-bond4" atomRefs="CPD-618-atom11 CPD-618-atom12" order="1"/> <bond id="CPD-618-bond5" atomRefs="CPD-618-atom3 CPD-618-atom8" order="1"/> <bond id="CPD-618-bond6" atomRefs="CPD-618-atom8 CPD-618-atom10" order="2"/> <bond id="CPD-618-bond7" atomRefs="CPD-618-atom8 CPD-618-atom9" order="1"/> <bond id="CPD-618-bond8" atomRefs="CPD-618-atom4 CPD-618-atom5" order="1"/> <bond id="CPD-618-bond9" atomRefs="CPD-618-atom5 CPD-618-atom7" order="2"/> <bond id="CPD-618-bond10" atomRefs="CPD-618-atom5 CPD-618-atom6" order="1"/> <bond id="CPD-618-bond11" atomRefs="CPD-618-atom3 CPD-618-atom4" order="1"/> <bond id="CPD-618-bond12" atomRefs="CPD-618-atom2 CPD-618-atom3" order="1"/> <bond id="CPD-618-bond13" atomRefs="CPD-618-atom2 CPD-618-atom1" order="1"/> <formula concise="C 7 H 10 O 7" formalCharge="0"/> 206.152 CC(C(=O)O)(O)C(C(=O)O)CC(=O)O
<atom id="TOLUENE-atom1" elementType="C" x2="0.1504854" y2="0.009708703"/> <atom id="TOLUENE-atom2" elementType="C" x2="0.1504854" y2="-0.65533984"/> <atom id="TOLUENE-atom3" elementType="C" x2="-0.42233008" y2="-0.9951457"/> <atom id="TOLUENE-atom4" elementType="C" x2="-1.0" y2="-0.65533984"/> <atom id="TOLUENE-atom5" elementType="C" x2="-1.0" y2="0.009708703"/> <atom id="TOLUENE-atom6" elementType="C" x2="-0.42233008" y2="0.33980584"/> <atom id="TOLUENE-atom7" elementType="C" x2="-0.4174757" y2="1.0"/> <bond id="TOLUENE-bond1" atomRefs="TOLUENE-atom6 TOLUENE-atom5" order="A"/> <bond id="TOLUENE-bond2" atomRefs="TOLUENE-atom6 TOLUENE-atom7" order="1"/> <bond id="TOLUENE-bond3" atomRefs="TOLUENE-atom5 TOLUENE-atom4" order="A"/> <bond id="TOLUENE-bond4" atomRefs="TOLUENE-atom4 TOLUENE-atom3" order="A"/> <bond id="TOLUENE-bond5" atomRefs="TOLUENE-atom3 TOLUENE-atom2" order="A"/> <bond id="TOLUENE-bond6" atomRefs="TOLUENE-atom2 TOLUENE-atom1" order="A"/> <bond id="TOLUENE-bond7" atomRefs="TOLUENE-atom1 TOLUENE-atom6" order="A"/> <formula concise="C 7 H 8" formalCharge="0"/> 92.14 Cc1(ccccc1)
<atom id="MESACONATE-atom1" elementType="O" x2="-1.0" y2="-0.57208"/> <atom id="MESACONATE-atom2" elementType="C" x2="-0.51745" y2="0.53263"/> <atom id="MESACONATE-atom3" elementType="C" x2="-0.12291" y2="0.27769"/> <atom id="MESACONATE-atom4" elementType="O" x2="-0.34143" y2="-1.0"/> <atom id="MESACONATE-atom5" elementType="C" x2="-0.53263" y2="-0.57208"/> <atom id="MESACONATE-atom6" elementType="C" x2="-0.12291" y2="-0.25341"/> <atom id="MESACONATE-atom7" elementType="H" x2="0.28983" y2="-0.47193"/> <atom id="MESACONATE-atom8" elementType="O" x2="0.83612" y2="0.52959"/> <atom id="MESACONATE-atom9" elementType="C" x2="0.36874" y2="0.52959"/> <atom id="MESACONATE-atom10" elementType="O" x2="0.36874" y2="0.99697"/> <bond id="MESACONATE-bond1" atomRefs="MESACONATE-atom10 MESACONATE-atom9" order="2"/> <bond id="MESACONATE-bond2" atomRefs="MESACONATE-atom9 MESACONATE-atom3" order="1"/> <bond id="MESACONATE-bond3" atomRefs="MESACONATE-atom8 MESACONATE-atom9" order="1"/> <bond id="MESACONATE-bond4" atomRefs="MESACONATE-atom7 MESACONATE-atom6" order="1"/> <bond id="MESACONATE-bond5" atomRefs="MESACONATE-atom6 MESACONATE-atom3" order="2"/> <bond id="MESACONATE-bond6" atomRefs="MESACONATE-atom5 MESACONATE-atom6" order="1"/> <bond id="MESACONATE-bond7" atomRefs="MESACONATE-atom4 MESACONATE-atom5" order="2"/> <bond id="MESACONATE-bond8" atomRefs="MESACONATE-atom2 MESACONATE-atom3" order="1"/> <bond id="MESACONATE-bond9" atomRefs="MESACONATE-atom1 MESACONATE-atom5" order="1"/> <formula concise="C 5 H 6 O 4" formalCharge="0"/> 130.1 CC(C(=O)O)=[CH]C(=O)O 2-Butenedioic acid, 2-methyl-, (E)-
<atom id="DEHYDROQUINATE-atom1" elementType="H" x2="0.018759012" y2="-0.48917747"/> <atom id="DEHYDROQUINATE-atom2" elementType="O" x2="0.93650794" y2="-0.6767677"/> <atom id="DEHYDROQUINATE-atom3" elementType="O" x2="-1.0" y2="-0.04184705"/> <atom id="DEHYDROQUINATE-atom4" elementType="C" x2="-1.0" y2="-0.2900433"/> <atom id="DEHYDROQUINATE-atom5" elementType="H" x2="0.018759012" y2="-0.07359308"/> <atom id="DEHYDROQUINATE-atom6" elementType="H" x2="-0.65945166" y2="0.4199134"/> <atom id="DEHYDROQUINATE-atom7" elementType="H" x2="0.018759012" y2="0.4199134"/> <atom id="DEHYDROQUINATE-atom8" elementType="O" x2="0.37373734" y2="0.08802307"/> <atom id="DEHYDROQUINATE-atom9" elementType="C" x2="-0.65945166" y2="-0.7344878"/> <atom id="DEHYDROQUINATE-atom10" elementType="O" x2="-0.65945166" y2="-0.07359308"/> <atom id="DEHYDROQUINATE-atom11" elementType="H" x2="0.018759012" y2="-0.98268396"/> <atom id="DEHYDROQUINATE-atom12" elementType="O" x2="-0.65945166" y2="-1.0"/> <atom id="DEHYDROQUINATE-atom13" elementType="C" x2="0.018759012" y2="-0.7344878"/> <atom id="DEHYDROQUINATE-atom14" elementType="C" x2="0.018759012" y2="0.17460322"/> <atom id="DEHYDROQUINATE-atom15" elementType="O" x2="0.99711394" y2="0.050505042"/> <atom id="DEHYDROQUINATE-atom16" elementType="C" x2="-0.65945166" y2="0.17460322"/> <atom id="DEHYDROQUINATE-atom17" elementType="H" x2="-1.0" y2="-0.53823954"/> <atom id="DEHYDROQUINATE-atom18" elementType="C" x2="0.77489173" y2="-0.2900433"/> <atom id="DEHYDROQUINATE-atom19" elementType="C" x2="0.3708514" y2="-0.2900433"/> <bond id="DEHYDROQUINATE-bond1" atomRefs="DEHYDROQUINATE-atom19 DEHYDROQUINATE-atom8" order="1"/> <bond id="DEHYDROQUINATE-bond2" atomRefs="DEHYDROQUINATE-atom19 DEHYDROQUINATE-atom13" order="1"/> <bond id="DEHYDROQUINATE-bond3" atomRefs="DEHYDROQUINATE-atom18 DEHYDROQUINATE-atom19" order="1"/> <bond id="DEHYDROQUINATE-bond4" atomRefs="DEHYDROQUINATE-atom17 DEHYDROQUINATE-atom4" order="1"/> <bond id="DEHYDROQUINATE-bond5" atomRefs="DEHYDROQUINATE-atom16 DEHYDROQUINATE-atom4" order="1"/> <bond id="DEHYDROQUINATE-bond6" atomRefs="DEHYDROQUINATE-atom16 DEHYDROQUINATE-atom14" order="1"/> <bond id="DEHYDROQUINATE-bond7" atomRefs="DEHYDROQUINATE-atom15 DEHYDROQUINATE-atom18" order="2"/> <bond id="DEHYDROQUINATE-bond8" atomRefs="DEHYDROQUINATE-atom14 DEHYDROQUINATE-atom19" order="1"/> <bond id="DEHYDROQUINATE-bond9" atomRefs="DEHYDROQUINATE-atom12 DEHYDROQUINATE-atom9" order="2"/> <bond id="DEHYDROQUINATE-bond10" atomRefs="DEHYDROQUINATE-atom11 DEHYDROQUINATE-atom13" order="1"/> <bond id="DEHYDROQUINATE-bond11" atomRefs="DEHYDROQUINATE-atom10 DEHYDROQUINATE-atom16" order="1"/> <bond id="DEHYDROQUINATE-bond12" atomRefs="DEHYDROQUINATE-atom9 DEHYDROQUINATE-atom13" order="1"/> <bond id="DEHYDROQUINATE-bond13" atomRefs="DEHYDROQUINATE-atom7 DEHYDROQUINATE-atom14" order="1"/> <bond id="DEHYDROQUINATE-bond14" atomRefs="DEHYDROQUINATE-atom6 DEHYDROQUINATE-atom16" order="1"/> <bond id="DEHYDROQUINATE-bond15" atomRefs="DEHYDROQUINATE-atom5 DEHYDROQUINATE-atom14" order="1"/> <bond id="DEHYDROQUINATE-bond16" atomRefs="DEHYDROQUINATE-atom4 DEHYDROQUINATE-atom9" order="1"/> <bond id="DEHYDROQUINATE-bond17" atomRefs="DEHYDROQUINATE-atom3 DEHYDROQUINATE-atom4" order="1"/> <bond id="DEHYDROQUINATE-bond18" atomRefs="DEHYDROQUINATE-atom2 DEHYDROQUINATE-atom18" order="1"/> <bond id="DEHYDROQUINATE-bond19" atomRefs="DEHYDROQUINATE-atom1 DEHYDROQUINATE-atom13" order="1"/> <formula concise="C 7 H 10 O 6" formalCharge="0"/> 190.152 C(O)(=O)C1([CH2]C(=O)[CH](O)[CH]([CH2]1)O)(O)
(2S,3R)-3-hydroxybutane-1,2,3-tricarboxylate hydro-lyase
<atom id="CIS-ACONITATE-atom1" elementType="O" x2="0.65686" y2="-0.41176"/> <atom id="CIS-ACONITATE-atom2" elementType="O" x2="-0.66013" y2="-0.41176"/> <atom id="CIS-ACONITATE-atom3" elementType="C" x2="-0.00327" y2="-0.80392"/> <atom id="CIS-ACONITATE-atom4" elementType="C" x2="-0.66013" y2="-0.80392"/> <atom id="CIS-ACONITATE-atom5" elementType="C" x2="0.65686" y2="-0.80392"/> <atom id="CIS-ACONITATE-atom6" elementType="C" x2="0.3268" y2="-0.99346"/> <atom id="CIS-ACONITATE-atom7" elementType="O" x2="0.32026" y2="-0.1732"/> <atom id="CIS-ACONITATE-atom8" elementType="O" x2="-0.29739" y2="-0.12745"/> <atom id="CIS-ACONITATE-atom9" elementType="C" x2="-0.00327" y2="-0.39216"/> <atom id="CIS-ACONITATE-atom10" elementType="O" x2="-1.0" y2="-1.0"/> <atom id="CIS-ACONITATE-atom11" elementType="O" x2="0.99673" y2="-1.0"/> <atom id="CIS-ACONITATE-atom12" elementType="C" x2="-0.33333" y2="-0.99346"/> <bond id="CIS-ACONITATE-bond1" atomRefs="CIS-ACONITATE-atom12 CIS-ACONITATE-atom3" order="1"/> <bond id="CIS-ACONITATE-bond2" atomRefs="CIS-ACONITATE-atom11 CIS-ACONITATE-atom5" order="1"/> <bond id="CIS-ACONITATE-bond3" atomRefs="CIS-ACONITATE-atom10 CIS-ACONITATE-atom4" order="1"/> <bond id="CIS-ACONITATE-bond4" atomRefs="CIS-ACONITATE-atom9 CIS-ACONITATE-atom3" order="1"/> <bond id="CIS-ACONITATE-bond5" atomRefs="CIS-ACONITATE-atom8 CIS-ACONITATE-atom9" order="2"/> <bond id="CIS-ACONITATE-bond6" atomRefs="CIS-ACONITATE-atom7 CIS-ACONITATE-atom9" order="1"/> <bond id="CIS-ACONITATE-bond7" atomRefs="CIS-ACONITATE-atom6 CIS-ACONITATE-atom3" order="2"/> <bond id="CIS-ACONITATE-bond8" atomRefs="CIS-ACONITATE-atom5 CIS-ACONITATE-atom6" order="1"/> <bond id="CIS-ACONITATE-bond9" atomRefs="CIS-ACONITATE-atom4 CIS-ACONITATE-atom12" order="1"/> <bond id="CIS-ACONITATE-bond10" atomRefs="CIS-ACONITATE-atom2 CIS-ACONITATE-atom4" order="2"/> <bond id="CIS-ACONITATE-bond11" atomRefs="CIS-ACONITATE-atom1 CIS-ACONITATE-atom5" order="2"/> <formula concise="C 6 H 6 O 6" formalCharge="0"/> 174.11 C(=O)(O)CC(C(=O)O)=CC(O)=O
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y2="64667.0"/> <atom id="TRANS-3-METHYL-GLUTACONYL-COA-atom12" elementType="N" x2="36000.0" y2="-17000.0"/> <atom id="TRANS-3-METHYL-GLUTACONYL-COA-atom13" elementType="N" x2="48667.0" y2="-41667.0"/> <atom id="TRANS-3-METHYL-GLUTACONYL-COA-atom14" elementType="O" x2="60333.0" y2="23000.0"/> <atom id="TRANS-3-METHYL-GLUTACONYL-COA-atom15" elementType="C" x2="-87667.0" y2="73333.0"/> <atom id="TRANS-3-METHYL-GLUTACONYL-COA-atom16" elementType="O" x2="-17000.0" y2="30333.0"/> <atom id="TRANS-3-METHYL-GLUTACONYL-COA-atom17" elementType="C" x2="27000.0" y2="72000.0"/> <atom id="TRANS-3-METHYL-GLUTACONYL-COA-atom18" elementType="C" x2="-70000.0" y2="63333.0"/> <atom id="TRANS-3-METHYL-GLUTACONYL-COA-atom19" elementType="O" x2="2000.0" y2="90000.0"/> <atom id="TRANS-3-METHYL-GLUTACONYL-COA-atom20" elementType="O" x2="-36000.0" y2="13667.0"/> <atom id="TRANS-3-METHYL-GLUTACONYL-COA-atom21" elementType="C" x2="53000.0" y2="71000.0"/> <atom id="TRANS-3-METHYL-GLUTACONYL-COA-atom22" elementType="C" x2="2000.0" y2="73333.0"/> <atom id="TRANS-3-METHYL-GLUTACONYL-COA-atom23" elementType="C" x2="-39667.0" y2="63667.0"/> <atom id="TRANS-3-METHYL-GLUTACONYL-COA-atom24" elementType="C" x2="48667.0" y2="-25000.0"/> <atom id="TRANS-3-METHYL-GLUTACONYL-COA-atom25" elementType="C" x2="39000.0" y2="63667.0"/> <atom id="TRANS-3-METHYL-GLUTACONYL-COA-atom26" elementType="C" x2="-62667.0" y2="16000.0"/> <atom id="TRANS-3-METHYL-GLUTACONYL-COA-atom27" elementType="N" x2="76000.0" y2="4667.0"/> <atom id="TRANS-3-METHYL-GLUTACONYL-COA-atom28" elementType="O" x2="-77667.0" y2="39333.0"/> <atom id="TRANS-3-METHYL-GLUTACONYL-COA-atom29" elementType="H" x2="45000.0" y2="41667.0"/> <atom id="TRANS-3-METHYL-GLUTACONYL-COA-atom30" elementType="O" x2="29333.0" y2="13667.0"/> <atom id="TRANS-3-METHYL-GLUTACONYL-COA-atom31" elementType="H" x2="70000.0" y2="33333.0"/> <atom id="TRANS-3-METHYL-GLUTACONYL-COA-atom32" elementType="O" x2="13667.0" y2="-3000.0"/> <atom id="TRANS-3-METHYL-GLUTACONYL-COA-atom33" elementType="O" x2="-2667.0" y2="13667.0"/> <atom id="TRANS-3-METHYL-GLUTACONYL-COA-atom34" elementType="O" x2="70000.0" y2="53333.0"/> <atom id="TRANS-3-METHYL-GLUTACONYL-COA-atom35" elementType="O" x2="83000.0" y2="100000.0"/> <atom id="TRANS-3-METHYL-GLUTACONYL-COA-atom36" elementType="O" x2="13667.0" y2="30333.0"/> <atom id="TRANS-3-METHYL-GLUTACONYL-COA-atom37" elementType="C" x2="27000.0" y2="88667.0"/> <atom id="TRANS-3-METHYL-GLUTACONYL-COA-atom38" elementType="C" x2="-100000.0" y2="65333.0"/> <atom id="TRANS-3-METHYL-GLUTACONYL-COA-atom39" elementType="C" x2="61667.0" y2="-17667.0"/> <atom id="TRANS-3-METHYL-GLUTACONYL-COA-atom40" elementType="C" x2="-62667.0" y2="-667.0"/> <atom id="TRANS-3-METHYL-GLUTACONYL-COA-atom41" elementType="O" x2="-87333.0" y2="-667.0"/> <atom id="TRANS-3-METHYL-GLUTACONYL-COA-atom42" elementType="N" x2="-55667.0" y2="72667.0"/> <atom id="TRANS-3-METHYL-GLUTACONYL-COA-atom43" elementType="O" x2="99667.0" y2="83333.0"/> <atom id="TRANS-3-METHYL-GLUTACONYL-COA-atom44" elementType="C" x2="36000.0" y2="-2333.0"/> <atom id="TRANS-3-METHYL-GLUTACONYL-COA-atom45" elementType="O" x2="-17000.0" y2="-3000.0"/> <atom id="TRANS-3-METHYL-GLUTACONYL-COA-atom46" elementType="N" x2="75000.0" y2="-23667.0"/> <atom id="TRANS-3-METHYL-GLUTACONYL-COA-atom47" elementType="C" x2="-25333.0" y2="72667.0"/> <atom id="TRANS-3-METHYL-GLUTACONYL-COA-atom48" elementType="P" x2="13667.0" y2="13667.0"/> <atom id="TRANS-3-METHYL-GLUTACONYL-COA-atom49" elementType="C" x2="61667.0" y2="-3000.0"/> <atom id="TRANS-3-METHYL-GLUTACONYL-COA-atom50" elementType="O" x2="66000.0" y2="61000.0"/> <atom id="TRANS-3-METHYL-GLUTACONYL-COA-atom51" elementType="P" x2="-17000.0" y2="13667.0"/> <atom id="TRANS-3-METHYL-GLUTACONYL-COA-atom52" elementType="C" x2="45000.0" y2="13667.0"/> <atom id="TRANS-3-METHYL-GLUTACONYL-COA-atom53" elementType="O" x2="66333.0" y2="83333.0"/> <atom id="TRANS-3-METHYL-GLUTACONYL-COA-atom54" elementType="S" x2="-12333.0" y2="62667.0"/> <atom id="TRANS-3-METHYL-GLUTACONYL-COA-atom55" elementType="C" x2="14667.0" y2="63667.0"/> <atom id="TRANS-3-METHYL-GLUTACONYL-COA-atom56" elementType="C" x2="-77667.0" y2="22667.0"/> <atom id="TRANS-3-METHYL-GLUTACONYL-COA-atom57" elementType="C" x2="45000.0" y2="31667.0"/> <atom id="TRANS-3-METHYL-GLUTACONYL-COA-atom58" elementType="P" x2="83000.0" y2="83333.0"/> <atom id="TRANS-3-METHYL-GLUTACONYL-COA-atom59" elementType="C" x2="51333.0" y2="43333.0"/> <atom id="TRANS-3-METHYL-GLUTACONYL-COA-atom60" elementType="N" x2="-100000.0" y2="23333.0"/> <atom id="TRANS-3-METHYL-GLUTACONYL-COA-atom61" elementType="H" x2="51333.0" y2="33333.0"/> <bond id="TRANS-3-METHYL-GLUTACONYL-COA-bond1" atomRefs="TRANS-3-METHYL-GLUTACONYL-COA-atom61 TRANS-3-METHYL-GLUTACONYL-COA-atom59" order="1"/> <bond id="TRANS-3-METHYL-GLUTACONYL-COA-bond2" atomRefs="TRANS-3-METHYL-GLUTACONYL-COA-atom60 TRANS-3-METHYL-GLUTACONYL-COA-atom8" order="1"/> <bond id="TRANS-3-METHYL-GLUTACONYL-COA-bond3" atomRefs="TRANS-3-METHYL-GLUTACONYL-COA-atom59 TRANS-3-METHYL-GLUTACONYL-COA-atom11" order="1"/> <bond id="TRANS-3-METHYL-GLUTACONYL-COA-bond4" atomRefs="TRANS-3-METHYL-GLUTACONYL-COA-atom59 TRANS-3-METHYL-GLUTACONYL-COA-atom3" order="1"/> <bond id="TRANS-3-METHYL-GLUTACONYL-COA-bond5" atomRefs="TRANS-3-METHYL-GLUTACONYL-COA-atom58 TRANS-3-METHYL-GLUTACONYL-COA-atom11" order="1"/> <bond id="TRANS-3-METHYL-GLUTACONYL-COA-bond6" atomRefs="TRANS-3-METHYL-GLUTACONYL-COA-atom57 TRANS-3-METHYL-GLUTACONYL-COA-atom14" order="1"/> <bond id="TRANS-3-METHYL-GLUTACONYL-COA-bond7" atomRefs="TRANS-3-METHYL-GLUTACONYL-COA-atom57 TRANS-3-METHYL-GLUTACONYL-COA-atom59" order="1"/> <bond id="TRANS-3-METHYL-GLUTACONYL-COA-bond8" atomRefs="TRANS-3-METHYL-GLUTACONYL-COA-atom56 TRANS-3-METHYL-GLUTACONYL-COA-atom26" order="1"/> <bond id="TRANS-3-METHYL-GLUTACONYL-COA-bond9" atomRefs="TRANS-3-METHYL-GLUTACONYL-COA-atom55 TRANS-3-METHYL-GLUTACONYL-COA-atom22" order="1"/> <bond id="TRANS-3-METHYL-GLUTACONYL-COA-bond10" atomRefs="TRANS-3-METHYL-GLUTACONYL-COA-atom54 TRANS-3-METHYL-GLUTACONYL-COA-atom47" order="1"/> <bond id="TRANS-3-METHYL-GLUTACONYL-COA-bond11" atomRefs="TRANS-3-METHYL-GLUTACONYL-COA-atom53 TRANS-3-METHYL-GLUTACONYL-COA-atom58" order="2"/> <bond id="TRANS-3-METHYL-GLUTACONYL-COA-bond12" atomRefs="TRANS-3-METHYL-GLUTACONYL-COA-atom52 TRANS-3-METHYL-GLUTACONYL-COA-atom57" order="1"/> <bond id="TRANS-3-METHYL-GLUTACONYL-COA-bond13" atomRefs="TRANS-3-METHYL-GLUTACONYL-COA-atom51 TRANS-3-METHYL-GLUTACONYL-COA-atom33" order="1"/> <bond id="TRANS-3-METHYL-GLUTACONYL-COA-bond14" atomRefs="TRANS-3-METHYL-GLUTACONYL-COA-atom50 TRANS-3-METHYL-GLUTACONYL-COA-atom21" order="1"/> <bond id="TRANS-3-METHYL-GLUTACONYL-COA-bond15" atomRefs="TRANS-3-METHYL-GLUTACONYL-COA-atom27 TRANS-3-METHYL-GLUTACONYL-COA-atom49" order="A"/> <bond id="TRANS-3-METHYL-GLUTACONYL-COA-bond16" atomRefs="TRANS-3-METHYL-GLUTACONYL-COA-atom48 TRANS-3-METHYL-GLUTACONYL-COA-atom30" order="1"/> <bond id="TRANS-3-METHYL-GLUTACONYL-COA-bond17" atomRefs="TRANS-3-METHYL-GLUTACONYL-COA-atom47 TRANS-3-METHYL-GLUTACONYL-COA-atom23" order="1"/> <bond id="TRANS-3-METHYL-GLUTACONYL-COA-bond18" atomRefs="TRANS-3-METHYL-GLUTACONYL-COA-atom46 TRANS-3-METHYL-GLUTACONYL-COA-atom10" order="A"/> <bond id="TRANS-3-METHYL-GLUTACONYL-COA-bond19" atomRefs="TRANS-3-METHYL-GLUTACONYL-COA-atom39 TRANS-3-METHYL-GLUTACONYL-COA-atom46" order="A"/> <bond id="TRANS-3-METHYL-GLUTACONYL-COA-bond20" atomRefs="TRANS-3-METHYL-GLUTACONYL-COA-atom45 TRANS-3-METHYL-GLUTACONYL-COA-atom51" order="2"/> <bond id="TRANS-3-METHYL-GLUTACONYL-COA-bond21" atomRefs="TRANS-3-METHYL-GLUTACONYL-COA-atom44 TRANS-3-METHYL-GLUTACONYL-COA-atom5" order="A"/> <bond id="TRANS-3-METHYL-GLUTACONYL-COA-bond22" atomRefs="TRANS-3-METHYL-GLUTACONYL-COA-atom43 TRANS-3-METHYL-GLUTACONYL-COA-atom58" order="1"/> <bond id="TRANS-3-METHYL-GLUTACONYL-COA-bond23" atomRefs="TRANS-3-METHYL-GLUTACONYL-COA-atom42 TRANS-3-METHYL-GLUTACONYL-COA-atom18" order="1"/> <bond id="TRANS-3-METHYL-GLUTACONYL-COA-bond24" atomRefs="TRANS-3-METHYL-GLUTACONYL-COA-atom41 TRANS-3-METHYL-GLUTACONYL-COA-atom8" order="2"/> <bond id="TRANS-3-METHYL-GLUTACONYL-COA-bond25" atomRefs="TRANS-3-METHYL-GLUTACONYL-COA-atom40 TRANS-3-METHYL-GLUTACONYL-COA-atom26" order="1"/> <bond id="TRANS-3-METHYL-GLUTACONYL-COA-bond26" atomRefs="TRANS-3-METHYL-GLUTACONYL-COA-atom49 TRANS-3-METHYL-GLUTACONYL-COA-atom39" order="A"/> <bond id="TRANS-3-METHYL-GLUTACONYL-COA-bond27" atomRefs="TRANS-3-METHYL-GLUTACONYL-COA-atom38 TRANS-3-METHYL-GLUTACONYL-COA-atom60" order="1"/> <bond id="TRANS-3-METHYL-GLUTACONYL-COA-bond28" atomRefs="TRANS-3-METHYL-GLUTACONYL-COA-atom37 TRANS-3-METHYL-GLUTACONYL-COA-atom17" order="1"/> <bond id="TRANS-3-METHYL-GLUTACONYL-COA-bond29" atomRefs="TRANS-3-METHYL-GLUTACONYL-COA-atom36 TRANS-3-METHYL-GLUTACONYL-COA-atom48" order="1"/> <bond id="TRANS-3-METHYL-GLUTACONYL-COA-bond30" atomRefs="TRANS-3-METHYL-GLUTACONYL-COA-atom35 TRANS-3-METHYL-GLUTACONYL-COA-atom58" order="1"/> <bond id="TRANS-3-METHYL-GLUTACONYL-COA-bond31" atomRefs="TRANS-3-METHYL-GLUTACONYL-COA-atom34 TRANS-3-METHYL-GLUTACONYL-COA-atom3" order="1"/> <bond id="TRANS-3-METHYL-GLUTACONYL-COA-bond32" atomRefs="TRANS-3-METHYL-GLUTACONYL-COA-atom33 TRANS-3-METHYL-GLUTACONYL-COA-atom48" order="1"/> <bond id="TRANS-3-METHYL-GLUTACONYL-COA-bond33" atomRefs="TRANS-3-METHYL-GLUTACONYL-COA-atom32 TRANS-3-METHYL-GLUTACONYL-COA-atom48" order="2"/> <bond id="TRANS-3-METHYL-GLUTACONYL-COA-bond34" atomRefs="TRANS-3-METHYL-GLUTACONYL-COA-atom31 TRANS-3-METHYL-GLUTACONYL-COA-atom3" order="1"/> <bond id="TRANS-3-METHYL-GLUTACONYL-COA-bond35" atomRefs="TRANS-3-METHYL-GLUTACONYL-COA-atom30 TRANS-3-METHYL-GLUTACONYL-COA-atom52" order="1"/> <bond id="TRANS-3-METHYL-GLUTACONYL-COA-bond36" atomRefs="TRANS-3-METHYL-GLUTACONYL-COA-atom29 TRANS-3-METHYL-GLUTACONYL-COA-atom57" order="1"/> <bond id="TRANS-3-METHYL-GLUTACONYL-COA-bond37" atomRefs="TRANS-3-METHYL-GLUTACONYL-COA-atom28 TRANS-3-METHYL-GLUTACONYL-COA-atom56" order="1"/> <bond id="TRANS-3-METHYL-GLUTACONYL-COA-bond38" atomRefs="TRANS-3-METHYL-GLUTACONYL-COA-atom26 TRANS-3-METHYL-GLUTACONYL-COA-atom6" order="1"/> <bond id="TRANS-3-METHYL-GLUTACONYL-COA-bond39" atomRefs="TRANS-3-METHYL-GLUTACONYL-COA-atom25 TRANS-3-METHYL-GLUTACONYL-COA-atom17" order="1"/> <bond id="TRANS-3-METHYL-GLUTACONYL-COA-bond40" atomRefs="TRANS-3-METHYL-GLUTACONYL-COA-atom39 TRANS-3-METHYL-GLUTACONYL-COA-atom24" order="A"/> <bond id="TRANS-3-METHYL-GLUTACONYL-COA-bond41" atomRefs="TRANS-3-METHYL-GLUTACONYL-COA-atom24 TRANS-3-METHYL-GLUTACONYL-COA-atom12" order="A"/> <bond id="TRANS-3-METHYL-GLUTACONYL-COA-bond42" atomRefs="TRANS-3-METHYL-GLUTACONYL-COA-atom23 TRANS-3-METHYL-GLUTACONYL-COA-atom42" order="1"/> <bond id="TRANS-3-METHYL-GLUTACONYL-COA-bond43" atomRefs="TRANS-3-METHYL-GLUTACONYL-COA-atom22 TRANS-3-METHYL-GLUTACONYL-COA-atom54" order="1"/> <bond id="TRANS-3-METHYL-GLUTACONYL-COA-bond44" atomRefs="TRANS-3-METHYL-GLUTACONYL-COA-atom21 TRANS-3-METHYL-GLUTACONYL-COA-atom25" order="1"/> <bond id="TRANS-3-METHYL-GLUTACONYL-COA-bond45" atomRefs="TRANS-3-METHYL-GLUTACONYL-COA-atom20 TRANS-3-METHYL-GLUTACONYL-COA-atom51" order="1"/> <bond id="TRANS-3-METHYL-GLUTACONYL-COA-bond46" atomRefs="TRANS-3-METHYL-GLUTACONYL-COA-atom19 TRANS-3-METHYL-GLUTACONYL-COA-atom22" order="2"/> <bond id="TRANS-3-METHYL-GLUTACONYL-COA-bond47" atomRefs="TRANS-3-METHYL-GLUTACONYL-COA-atom18 TRANS-3-METHYL-GLUTACONYL-COA-atom15" order="1"/> <bond id="TRANS-3-METHYL-GLUTACONYL-COA-bond48" atomRefs="TRANS-3-METHYL-GLUTACONYL-COA-atom17 TRANS-3-METHYL-GLUTACONYL-COA-atom55" order="2"/> <bond id="TRANS-3-METHYL-GLUTACONYL-COA-bond49" atomRefs="TRANS-3-METHYL-GLUTACONYL-COA-atom16 TRANS-3-METHYL-GLUTACONYL-COA-atom51" order="1"/> <bond id="TRANS-3-METHYL-GLUTACONYL-COA-bond50" atomRefs="TRANS-3-METHYL-GLUTACONYL-COA-atom15 TRANS-3-METHYL-GLUTACONYL-COA-atom38" order="1"/> <bond id="TRANS-3-METHYL-GLUTACONYL-COA-bond51" atomRefs="TRANS-3-METHYL-GLUTACONYL-COA-atom14 TRANS-3-METHYL-GLUTACONYL-COA-atom1" order="1"/> <bond id="TRANS-3-METHYL-GLUTACONYL-COA-bond52" atomRefs="TRANS-3-METHYL-GLUTACONYL-COA-atom13 TRANS-3-METHYL-GLUTACONYL-COA-atom24" order="1"/> <bond id="TRANS-3-METHYL-GLUTACONYL-COA-bond53" atomRefs="TRANS-3-METHYL-GLUTACONYL-COA-atom12 TRANS-3-METHYL-GLUTACONYL-COA-atom44" order="A"/> <bond id="TRANS-3-METHYL-GLUTACONYL-COA-bond54" atomRefs="TRANS-3-METHYL-GLUTACONYL-COA-atom10 TRANS-3-METHYL-GLUTACONYL-COA-atom27" order="A"/> <bond id="TRANS-3-METHYL-GLUTACONYL-COA-bond55" atomRefs="TRANS-3-METHYL-GLUTACONYL-COA-atom9 TRANS-3-METHYL-GLUTACONYL-COA-atom18" order="2"/> <bond id="TRANS-3-METHYL-GLUTACONYL-COA-bond56" atomRefs="TRANS-3-METHYL-GLUTACONYL-COA-atom8 TRANS-3-METHYL-GLUTACONYL-COA-atom56" order="1"/> <bond id="TRANS-3-METHYL-GLUTACONYL-COA-bond57" atomRefs="TRANS-3-METHYL-GLUTACONYL-COA-atom7 TRANS-3-METHYL-GLUTACONYL-COA-atom1" order="1"/> <bond id="TRANS-3-METHYL-GLUTACONYL-COA-bond58" atomRefs="TRANS-3-METHYL-GLUTACONYL-COA-atom6 TRANS-3-METHYL-GLUTACONYL-COA-atom20" order="1"/> <bond id="TRANS-3-METHYL-GLUTACONYL-COA-bond59" atomRefs="TRANS-3-METHYL-GLUTACONYL-COA-atom5 TRANS-3-METHYL-GLUTACONYL-COA-atom49" order="A"/> <bond id="TRANS-3-METHYL-GLUTACONYL-COA-bond60" atomRefs="TRANS-3-METHYL-GLUTACONYL-COA-atom4 TRANS-3-METHYL-GLUTACONYL-COA-atom26" order="1"/> <bond id="TRANS-3-METHYL-GLUTACONYL-COA-bond61" atomRefs="TRANS-3-METHYL-GLUTACONYL-COA-atom2 TRANS-3-METHYL-GLUTACONYL-COA-atom21" order="2"/> <bond id="TRANS-3-METHYL-GLUTACONYL-COA-bond62" atomRefs="TRANS-3-METHYL-GLUTACONYL-COA-atom1 TRANS-3-METHYL-GLUTACONYL-COA-atom27" order="1"/> <bond id="TRANS-3-METHYL-GLUTACONYL-COA-bond63" atomRefs="TRANS-3-METHYL-GLUTACONYL-COA-atom1 TRANS-3-METHYL-GLUTACONYL-COA-atom3" order="1"/> <formula concise="C 27 H 42 N 7 O 19 P 3 S 1" formalCharge="0"/> 893.646 [CH]3(n1(c2(c(nc1)c(N)ncn2)))(O[CH]([CH]([CH](O)3)OP(O)(=O)O)COP(=O)(O)OP(O)(=O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)C=C(C)CC(O)=O)
<atom id="EPYRIDALDOX-atom1" elementType="N" x2="-0.08333331" y2="0.99404764"/> <atom id="EPYRIDALDOX-atom2" elementType="C" x2="-0.5416666" y2="0.61904764"/> <atom id="EPYRIDALDOX-atom3" elementType="C" x2="-0.5416666" y2="0.11904764"/> <atom id="EPYRIDALDOX-atom4" elementType="C" x2="-1.0" y2="-0.20238096"/> <atom id="EPYRIDALDOX-atom5" elementType="C" x2="-0.08333331" y2="-0.20238096"/> <atom id="EPYRIDALDOX-atom6" elementType="C" x2="-1.0" y2="-0.7380952"/> <atom id="EPYRIDALDOX-atom7" elementType="N" x2="-0.08333331" y2="-0.7380952"/> <atom id="EPYRIDALDOX-atom8" elementType="C" x2="-0.5416666" y2="-1.0"/> <atom id="EPYRIDALDOX-atom9" elementType="O" x2="0.4702381" y2="0.63095236"/> <bond id="EPYRIDALDOX-bond1" atomRefs="EPYRIDALDOX-atom7 EPYRIDALDOX-atom8" order="1"/> <bond id="EPYRIDALDOX-bond2" atomRefs="EPYRIDALDOX-atom6 EPYRIDALDOX-atom8" order="2"/> <bond id="EPYRIDALDOX-bond3" atomRefs="EPYRIDALDOX-atom5 EPYRIDALDOX-atom7" order="2"/> <bond id="EPYRIDALDOX-bond4" atomRefs="EPYRIDALDOX-atom4 EPYRIDALDOX-atom6" order="1"/> <bond id="EPYRIDALDOX-bond5" atomRefs="EPYRIDALDOX-atom3 EPYRIDALDOX-atom5" order="1"/> <bond id="EPYRIDALDOX-bond6" atomRefs="EPYRIDALDOX-atom3 EPYRIDALDOX-atom4" order="2"/> <bond id="EPYRIDALDOX-bond7" atomRefs="EPYRIDALDOX-atom2 EPYRIDALDOX-atom1" order="2"/> <bond id="EPYRIDALDOX-bond8" atomRefs="EPYRIDALDOX-atom2 EPYRIDALDOX-atom3" order="1"/> <bond id="EPYRIDALDOX-bond9" atomRefs="EPYRIDALDOX-atom1 EPYRIDALDOX-atom9" order="1"/> <formula concise="C 6 H 6 N 2 O 1" formalCharge="0"/> 122.126 C(=NO)C1(C=NC=CC=1)
<atom id="3-CYANOPYRIDINE-atom1" elementType="C" x2="2.866" y2="1.0"/> <atom id="3-CYANOPYRIDINE-atom2" elementType="N" x2="2.866" y2="2.0"/> <atom id="3-CYANOPYRIDINE-atom3" elementType="C" x2="2.866" y2="0.0"/> <atom id="3-CYANOPYRIDINE-atom4" elementType="C" x2="2.0" y2="-0.5"/> <atom id="3-CYANOPYRIDINE-atom5" elementType="C" x2="3.7321" y2="-0.5"/> <atom id="3-CYANOPYRIDINE-atom6" elementType="C" x2="2.0" y2="-1.5"/> <atom id="3-CYANOPYRIDINE-atom7" elementType="N" x2="3.7321" y2="-1.5"/> <atom id="3-CYANOPYRIDINE-atom8" elementType="C" x2="2.866" y2="-2.0"/> <bond id="3-CYANOPYRIDINE-bond1" atomRefs="3-CYANOPYRIDINE-atom1 3-CYANOPYRIDINE-atom2" order="3"/> <bond id="3-CYANOPYRIDINE-bond2" atomRefs="3-CYANOPYRIDINE-atom1 3-CYANOPYRIDINE-atom3" order="1"/> <bond id="3-CYANOPYRIDINE-bond3" atomRefs="3-CYANOPYRIDINE-atom3 3-CYANOPYRIDINE-atom4" order="2"/> <bond id="3-CYANOPYRIDINE-bond4" atomRefs="3-CYANOPYRIDINE-atom3 3-CYANOPYRIDINE-atom5" order="1"/> <bond id="3-CYANOPYRIDINE-bond5" atomRefs="3-CYANOPYRIDINE-atom4 3-CYANOPYRIDINE-atom6" order="1"/> <bond id="3-CYANOPYRIDINE-bond6" atomRefs="3-CYANOPYRIDINE-atom5 3-CYANOPYRIDINE-atom7" order="2"/> <bond id="3-CYANOPYRIDINE-bond7" atomRefs="3-CYANOPYRIDINE-atom6 3-CYANOPYRIDINE-atom8" order="2"/> <bond id="3-CYANOPYRIDINE-bond8" atomRefs="3-CYANOPYRIDINE-atom7 3-CYANOPYRIDINE-atom8" order="1"/> <formula concise="C 6 H 4 N 2" formalCharge="0"/> 104.111 C(#N)C1(=CC=CN=C1)
Hydroxymethylbilane hydrolyase (cyclizing)
<atom id="L-THREO-3-METHYL-ASPARTATE-atom1" elementType="O" x2="1.4881" y2="-0.90547"/> <atom id="L-THREO-3-METHYL-ASPARTATE-atom2" elementType="O" x2="-0.38021" y2="1.0"/> <atom id="L-THREO-3-METHYL-ASPARTATE-atom3" elementType="C" x2="-0.38021" y2="-0.26866"/> <atom id="L-THREO-3-METHYL-ASPARTATE-atom4" elementType="O" x2="-1.4881" y2="0.36816"/> <atom id="L-THREO-3-METHYL-ASPARTATE-atom5" elementType="C" x2="0.37014" y2="-0.26866"/> <atom id="L-THREO-3-METHYL-ASPARTATE-atom6" elementType="C" x2="1.12048" y2="-0.26866"/> <atom id="L-THREO-3-METHYL-ASPARTATE-atom7" elementType="H" x2="0.37014" y2="0.47264"/> <atom id="L-THREO-3-METHYL-ASPARTATE-atom8" elementType="N" x2="0.37014" y2="-1.0"/> <atom id="L-THREO-3-METHYL-ASPARTATE-atom9" elementType="C" x2="-0.75286" y2="0.36816"/> <atom id="L-THREO-3-METHYL-ASPARTATE-atom10" elementType="O" x2="1.4881" y2="0.36816"/> <atom id="L-THREO-3-METHYL-ASPARTATE-atom11" elementType="C" x2="-0.92912" y2="-0.79104"/> <bond id="L-THREO-3-METHYL-ASPARTATE-bond1" atomRefs="L-THREO-3-METHYL-ASPARTATE-atom11 L-THREO-3-METHYL-ASPARTATE-atom3" order="1"/> <bond id="L-THREO-3-METHYL-ASPARTATE-bond2" atomRefs="L-THREO-3-METHYL-ASPARTATE-atom10 L-THREO-3-METHYL-ASPARTATE-atom6" order="2"/> <bond id="L-THREO-3-METHYL-ASPARTATE-bond3" atomRefs="L-THREO-3-METHYL-ASPARTATE-atom9 L-THREO-3-METHYL-ASPARTATE-atom3" order="1"/> <bond id="L-THREO-3-METHYL-ASPARTATE-bond4" atomRefs="L-THREO-3-METHYL-ASPARTATE-atom6 L-THREO-3-METHYL-ASPARTATE-atom5" order="1"/> <bond id="L-THREO-3-METHYL-ASPARTATE-bond5" atomRefs="L-THREO-3-METHYL-ASPARTATE-atom5 L-THREO-3-METHYL-ASPARTATE-atom7" order="1"/> <bond id="L-THREO-3-METHYL-ASPARTATE-bond6" atomRefs="L-THREO-3-METHYL-ASPARTATE-atom5 L-THREO-3-METHYL-ASPARTATE-atom8" order="1"/> <bond id="L-THREO-3-METHYL-ASPARTATE-bond7" atomRefs="L-THREO-3-METHYL-ASPARTATE-atom5 L-THREO-3-METHYL-ASPARTATE-atom3" order="1"/> <bond id="L-THREO-3-METHYL-ASPARTATE-bond8" atomRefs="L-THREO-3-METHYL-ASPARTATE-atom4 L-THREO-3-METHYL-ASPARTATE-atom9" order="2"/> <bond id="L-THREO-3-METHYL-ASPARTATE-bond9" atomRefs="L-THREO-3-METHYL-ASPARTATE-atom2 L-THREO-3-METHYL-ASPARTATE-atom9" order="1"/> <bond id="L-THREO-3-METHYL-ASPARTATE-bond10" atomRefs="L-THREO-3-METHYL-ASPARTATE-atom1 L-THREO-3-METHYL-ASPARTATE-atom6" order="1"/> <formula concise="C 5 H 9 N 1 O 4" formalCharge="0"/> 147.13 C(O)(=O)[CH](N)C(C)C(=O)O
<atom id="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom1" elementType="C" x2="0.5611511" y2="-0.5467626"/> <atom id="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom2" elementType="C" x2="-0.5935252" y2="0.4028777"/> <atom id="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom3" elementType="C" x2="-0.12230216" y2="-0.42446044"/> <atom id="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom4" elementType="N" x2="0.08992806" y2="0.0647482"/> <atom id="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom5" elementType="O" x2="0.08992806" y2="0.7877698"/> <atom id="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom6" elementType="C" x2="0.32374102" y2="0.15827338"/> <atom id="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom7" elementType="C" x2="-0.12230216" y2="-0.58633095"/> <atom id="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom8" elementType="H" x2="0.0035971224" y2="-0.6942446"/> <atom id="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom9" elementType="O" x2="-0.38489208" y2="-0.42446044"/> <atom id="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom10" elementType="O" x2="-0.7805755" y2="0.78417265"/> <atom id="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom11" elementType="O" x2="-0.88129497" y2="-0.42446044"/> <atom id="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom12" elementType="C" x2="-0.35971224" y2="0.5323741"/> <atom id="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom13" elementType="O" x2="-0.6294964" y2="-0.16187051"/> <atom id="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom14" elementType="C" x2="0.42446044" y2="-0.84532374"/> <atom id="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom15" elementType="H" x2="0.5611511" y2="-0.70143884"/> <atom id="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom16" elementType="O" x2="0.0035971224" y2="-1.0"/> <atom id="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom17" elementType="P" x2="-0.6294964" y2="-0.42446044"/> <atom id="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom18" elementType="N" x2="0.55755395" y2="0.51079136"/> <atom id="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom19" elementType="O" x2="0.42446044" y2="-1.0"/> <atom id="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom20" elementType="C" x2="-0.35971224" y2="0.7446043"/> <atom id="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom21" elementType="O" x2="0.22302158" y2="-0.39568347"/> <atom id="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom22" elementType="C" x2="0.08992806" y2="0.5323741"/> <atom id="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom23" elementType="N" x2="-0.14028777" y2="0.4028777"/> <atom id="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom24" elementType="O" x2="-1.0" y2="0.4028777"/> <atom id="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom25" elementType="C" x2="-0.7805755" y2="0.528777"/> <atom id="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom26" elementType="C" x2="0.32374102" y2="0.4172662"/> <atom id="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom27" elementType="N" x2="0.5611511" y2="0.035971224"/> <atom id="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom28" elementType="H" x2="0.42446044" y2="-0.6942446"/> <atom id="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom29" elementType="O" x2="-0.35971224" y2="0.99640286"/> <atom id="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom30" elementType="O" x2="-0.6294964" y2="-0.66906476"/> <atom id="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom31" elementType="H" x2="-0.12230216" y2="-0.7410072"/> <atom id="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom32" elementType="O" x2="-0.107913665" y2="0.7446043"/> <atom id="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom33" elementType="C" x2="0.7338129" y2="0.28057554"/> <atom id="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom34" elementType="C" x2="0.0035971224" y2="-0.84532374"/> <bond id="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-bond1" atomRefs="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom34 P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom14" order="1"/> <bond id="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-bond2" atomRefs="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom33 P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom27" order="A"/> <bond id="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-bond3" atomRefs="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom32 P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom20" order="1"/> <bond id="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-bond4" atomRefs="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom31 P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom7" order="1"/> <bond id="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-bond5" atomRefs="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom30 P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom17" order="1"/> <bond id="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-bond6" atomRefs="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom29 P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom20" order="2"/> <bond id="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-bond7" atomRefs="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom28 P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom14" order="1"/> <bond id="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-bond8" atomRefs="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom27 P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom6" order="A"/> <bond id="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-bond9" atomRefs="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom26 P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom18" order="A"/> <bond id="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-bond10" atomRefs="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom25 P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom2" order="1"/> <bond id="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-bond11" atomRefs="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom24 P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom25" order="1"/> <bond id="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-bond12" atomRefs="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom23 P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom22" order="1"/> <bond id="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-bond13" atomRefs="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom22 P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom26" order="1"/> <bond id="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-bond14" atomRefs="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom21 P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom1" order="1"/> <bond id="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-bond15" atomRefs="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom20 P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom12" order="1"/> <bond id="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-bond16" atomRefs="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom19 P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom14" order="1"/> <bond id="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-bond17" atomRefs="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom18 P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom33" order="A"/> <bond id="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-bond18" atomRefs="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom17 P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom9" order="1"/> <bond id="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-bond19" atomRefs="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom16 P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom34" order="1"/> <bond id="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-bond20" atomRefs="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom15 P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom1" order="1"/> <bond id="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-bond21" atomRefs="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom13 P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom17" order="2"/> <bond id="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-bond22" atomRefs="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom12 P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom23" order="1"/> <bond id="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-bond23" atomRefs="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom11 P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom17" order="1"/> <bond id="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-bond24" atomRefs="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom10 P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom25" order="2"/> <bond id="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-bond25" atomRefs="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom9 P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom3" order="1"/> <bond id="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-bond26" atomRefs="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom8 P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom34" order="1"/> <bond id="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-bond27" atomRefs="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom7 P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom34" order="1"/> <bond id="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-bond28" atomRefs="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom7 P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom21" order="1"/> <bond id="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-bond29" atomRefs="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom6 P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom26" order="A"/> <bond id="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-bond30" atomRefs="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom5 P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom22" order="2"/> <bond id="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-bond31" atomRefs="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom4 P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom6" order="1"/> <bond id="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-bond32" atomRefs="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom3 P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom7" order="1"/> <bond id="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-bond33" atomRefs="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom2 P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom12" order="1"/> <bond id="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-bond34" atomRefs="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom1 P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom14" order="1"/> <bond id="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-bond35" atomRefs="P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom1 P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE-atom27" order="1"/> <formula concise="C 13 H 19 N 4 O 12 P 1" formalCharge="0"/> 454.286 [CH]1([CH](O)[CH](O)[CH](O1)COP(=O)(O)O)n2(c(N)c(nc2)C(=O)NC(C(O)=O)CC(O)=O)
5'-p-Ribosyl-4-(N-succinocarboxamide)-5-amino imidazole
<atom id="CPD-69-atom1" elementType="C" x2="1.95" y2="-3.5583"/> <atom id="CPD-69-atom2" elementType="O" x2="2.5995" y2="-3.1833"/> <atom id="CPD-69-atom3" elementType="N" x2="1.3005" y2="-3.9333"/> <bond id="CPD-69-bond1" atomRefs="CPD-69-atom1 CPD-69-atom3" order="3"/> <bond id="CPD-69-bond2" atomRefs="CPD-69-atom1 CPD-69-atom2" order="1"/> <formula concise="C 1 H 1 N 1 O 1" formalCharge="0"/> 43.025 C(#N)O
<atom id="CARBAMATE-atom1" elementType="C" x2="0.19316" y2="-0.12137"/> <atom id="CARBAMATE-atom2" elementType="O" x2="0.96239" y2="0.79145"/> <atom id="CARBAMATE-atom3" elementType="O" x2="0.99658" y2="-1.0" formalCharge="-1"/> <atom id="CARBAMATE-atom4" elementType="N" x2="-1.0" y2="-0.12479"/> <bond id="CARBAMATE-bond1" atomRefs="CARBAMATE-atom4 CARBAMATE-atom1" order="1"/> <bond id="CARBAMATE-bond2" atomRefs="CARBAMATE-atom3 CARBAMATE-atom1" order="1"/> <bond id="CARBAMATE-bond3" atomRefs="CARBAMATE-atom2 CARBAMATE-atom1" order="2"/> <formula concise="C 1 H 2 N 1 O 2" formalCharge="0"/> 60.032 C([O-])(N)=O
2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase
<cml> <molecule id="D-3-HYDROXYACYL-COA" title="an (R)-3-hydroxyacyl-CoA" dictRef="dictD-3-HYDROXYACYL-COA"> <atomArray> <atom id="D-3-HYDROXYACYL-COA-atom1" elementType="H" x2="14.2967" y2="-7.4247"/> <atom id="D-3-HYDROXYACYL-COA-atom2" elementType="H" x2="16.5329" y2="-6.6523"/> <atom id="D-3-HYDROXYACYL-COA-atom3" elementType="H" x2="17.0567" y2="-7.4247"/> <atom id="D-3-HYDROXYACYL-COA-atom4" elementType="H" x2="14.8772" y2="-6.6523"/> <atom id="D-3-HYDROXYACYL-COA-atom5" elementType="C" x2="3.2848" y2="-5.2171"/> <atom id="D-3-HYDROXYACYL-COA-atom6" elementType="C" x2="3.2848" y2="-8.1979"/> <atom id="D-3-HYDROXYACYL-COA-atom7" elementType="N" x2="14.6009" y2="0.0"/> <atom id="D-3-HYDROXYACYL-COA-atom8" elementType="O" x2="2.8149" y2="-9.66"/> <atom id="D-3-HYDROXYACYL-COA-atom9" elementType="O" x2="9.0525" y2="-13.3037"/> <atom id="D-3-HYDROXYACYL-COA-atom10" elementType="O" x2="1.1319" y2="-5.2171"/> <atom id="D-3-HYDROXYACYL-COA-atom11" elementType="O" x2="13.9657" 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Thymidine diphospho-4-ketorhamnose 3,5-epimerase
dTDP-4-keto-6-deoxyglucose 3,5-epimerase
Uridine diphosphate-N-acetylglucosamine-2'-epimerase
Uridine diphospho-N-acetylglucosamine 2'-epimerase
Uridine diphosphoacetylglucosamine 2'-epimerase
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order="A"/> <bond id="METHYL-MALONYL-COA-bond11" atomRefs="METHYL-MALONYL-COA-atom52 METHYL-MALONYL-COA-atom34" order="1"/> <bond id="METHYL-MALONYL-COA-bond12" atomRefs="METHYL-MALONYL-COA-atom51 METHYL-MALONYL-COA-atom44" order="1"/> <bond id="METHYL-MALONYL-COA-bond13" atomRefs="METHYL-MALONYL-COA-atom50 METHYL-MALONYL-COA-atom33" order="1"/> <bond id="METHYL-MALONYL-COA-bond14" atomRefs="METHYL-MALONYL-COA-atom49 METHYL-MALONYL-COA-atom24" order="1"/> <bond id="METHYL-MALONYL-COA-bond15" atomRefs="METHYL-MALONYL-COA-atom27 METHYL-MALONYL-COA-atom48" order="A"/> <bond id="METHYL-MALONYL-COA-bond16" atomRefs="METHYL-MALONYL-COA-atom47 METHYL-MALONYL-COA-atom30" order="1"/> <bond id="METHYL-MALONYL-COA-bond17" atomRefs="METHYL-MALONYL-COA-atom46 METHYL-MALONYL-COA-atom57" order="1"/> <bond id="METHYL-MALONYL-COA-bond18" atomRefs="METHYL-MALONYL-COA-atom45 METHYL-MALONYL-COA-atom10" order="A"/> <bond id="METHYL-MALONYL-COA-bond19" atomRefs="METHYL-MALONYL-COA-atom44 METHYL-MALONYL-COA-atom21" order="1"/> <bond id="METHYL-MALONYL-COA-bond20" atomRefs="METHYL-MALONYL-COA-atom43 METHYL-MALONYL-COA-atom55" order="1"/> <bond id="METHYL-MALONYL-COA-bond21" atomRefs="METHYL-MALONYL-COA-atom42 METHYL-MALONYL-COA-atom26" order="1"/> <bond id="METHYL-MALONYL-COA-bond22" atomRefs="METHYL-MALONYL-COA-atom41 METHYL-MALONYL-COA-atom26" order="2"/> <bond id="METHYL-MALONYL-COA-bond23" atomRefs="METHYL-MALONYL-COA-atom40 METHYL-MALONYL-COA-atom37" order="1"/> <bond id="METHYL-MALONYL-COA-bond24" atomRefs="METHYL-MALONYL-COA-atom48 METHYL-MALONYL-COA-atom39" order="A"/> <bond id="METHYL-MALONYL-COA-bond25" atomRefs="METHYL-MALONYL-COA-atom39 METHYL-MALONYL-COA-atom45" order="A"/> <bond id="METHYL-MALONYL-COA-bond26" atomRefs="METHYL-MALONYL-COA-atom38 METHYL-MALONYL-COA-atom22" order="1"/> <bond id="METHYL-MALONYL-COA-bond27" atomRefs="METHYL-MALONYL-COA-atom37 METHYL-MALONYL-COA-atom13" order="1"/> <bond id="METHYL-MALONYL-COA-bond28" atomRefs="METHYL-MALONYL-COA-atom36 METHYL-MALONYL-COA-atom5" order="1"/> <bond id="METHYL-MALONYL-COA-bond29" atomRefs="METHYL-MALONYL-COA-atom35 METHYL-MALONYL-COA-atom7" order="1"/> <bond id="METHYL-MALONYL-COA-bond30" atomRefs="METHYL-MALONYL-COA-atom34 METHYL-MALONYL-COA-atom54" order="1"/> <bond id="METHYL-MALONYL-COA-bond31" atomRefs="METHYL-MALONYL-COA-atom33 METHYL-MALONYL-COA-atom47" order="1"/> <bond id="METHYL-MALONYL-COA-bond32" atomRefs="METHYL-MALONYL-COA-atom32 METHYL-MALONYL-COA-atom47" order="2"/> <bond id="METHYL-MALONYL-COA-bond33" atomRefs="METHYL-MALONYL-COA-atom31 METHYL-MALONYL-COA-atom55" order="1"/> <bond id="METHYL-MALONYL-COA-bond34" atomRefs="METHYL-MALONYL-COA-atom30 METHYL-MALONYL-COA-atom43" order="1"/> <bond id="METHYL-MALONYL-COA-bond35" atomRefs="METHYL-MALONYL-COA-atom28 METHYL-MALONYL-COA-atom51" order="1"/> <bond id="METHYL-MALONYL-COA-bond36" atomRefs="METHYL-MALONYL-COA-atom26 METHYL-MALONYL-COA-atom24" order="1"/> <bond id="METHYL-MALONYL-COA-bond37" atomRefs="METHYL-MALONYL-COA-atom25 METHYL-MALONYL-COA-atom47" order="1"/> <bond id="METHYL-MALONYL-COA-bond38" atomRefs="METHYL-MALONYL-COA-atom24 METHYL-MALONYL-COA-atom8" order="1"/> <bond id="METHYL-MALONYL-COA-bond39" atomRefs="METHYL-MALONYL-COA-atom23 METHYL-MALONYL-COA-atom1" order="1"/> <bond id="METHYL-MALONYL-COA-bond40" atomRefs="METHYL-MALONYL-COA-atom22 METHYL-MALONYL-COA-atom51" order="1"/> <bond id="METHYL-MALONYL-COA-bond41" atomRefs="METHYL-MALONYL-COA-atom21 METHYL-MALONYL-COA-atom50" order="1"/> <bond id="METHYL-MALONYL-COA-bond42" atomRefs="METHYL-MALONYL-COA-atom20 METHYL-MALONYL-COA-atom50" order="2"/> <bond id="METHYL-MALONYL-COA-bond43" atomRefs="METHYL-MALONYL-COA-atom19 METHYL-MALONYL-COA-atom54" order="2"/> <bond id="METHYL-MALONYL-COA-bond44" atomRefs="METHYL-MALONYL-COA-atom18 METHYL-MALONYL-COA-atom12" order="A"/> <bond id="METHYL-MALONYL-COA-bond45" atomRefs="METHYL-MALONYL-COA-atom17 METHYL-MALONYL-COA-atom6" order="1"/> <bond id="METHYL-MALONYL-COA-bond46" atomRefs="METHYL-MALONYL-COA-atom16 METHYL-MALONYL-COA-atom40" order="1"/> <bond id="METHYL-MALONYL-COA-bond47" atomRefs="METHYL-MALONYL-COA-atom15 METHYL-MALONYL-COA-atom8" order="2"/> <bond id="METHYL-MALONYL-COA-bond48" atomRefs="METHYL-MALONYL-COA-atom14 METHYL-MALONYL-COA-atom1" order="1"/> <bond id="METHYL-MALONYL-COA-bond49" atomRefs="METHYL-MALONYL-COA-atom13 METHYL-MALONYL-COA-atom17" order="1"/> <bond id="METHYL-MALONYL-COA-bond50" atomRefs="METHYL-MALONYL-COA-atom12 METHYL-MALONYL-COA-atom48" order="A"/> <bond id="METHYL-MALONYL-COA-bond51" atomRefs="METHYL-MALONYL-COA-atom11 METHYL-MALONYL-COA-atom7" order="1"/> <bond id="METHYL-MALONYL-COA-bond52" atomRefs="METHYL-MALONYL-COA-atom10 METHYL-MALONYL-COA-atom27" order="A"/> <bond id="METHYL-MALONYL-COA-bond53" atomRefs="METHYL-MALONYL-COA-atom9 METHYL-MALONYL-COA-atom17" order="2"/> <bond id="METHYL-MALONYL-COA-bond54" atomRefs="METHYL-MALONYL-COA-atom8 METHYL-MALONYL-COA-atom16" order="1"/> <bond id="METHYL-MALONYL-COA-bond55" atomRefs="METHYL-MALONYL-COA-atom7 METHYL-MALONYL-COA-atom29" order="1"/> <bond id="METHYL-MALONYL-COA-bond56" atomRefs="METHYL-MALONYL-COA-atom6 METHYL-MALONYL-COA-atom52" order="1"/> <bond id="METHYL-MALONYL-COA-bond57" atomRefs="METHYL-MALONYL-COA-atom39 METHYL-MALONYL-COA-atom5" order="A"/> <bond id="METHYL-MALONYL-COA-bond58" atomRefs="METHYL-MALONYL-COA-atom4 METHYL-MALONYL-COA-atom51" order="1"/> <bond id="METHYL-MALONYL-COA-bond59" atomRefs="METHYL-MALONYL-COA-atom2 METHYL-MALONYL-COA-atom3" order="1"/> <bond id="METHYL-MALONYL-COA-bond60" atomRefs="METHYL-MALONYL-COA-atom1 METHYL-MALONYL-COA-atom27" order="1"/> <bond id="METHYL-MALONYL-COA-bond61" atomRefs="METHYL-MALONYL-COA-atom1 METHYL-MALONYL-COA-atom3" order="1"/> <formula concise="C 25 H 40 N 7 O 19 P 3 S 1" formalCharge="0"/> 867.608 [CH]3(n1(c2(c(nc1)c(N)ncn2)))(O[CH]([CH]([CH](O)3)OP(O)(=O)O)COP(O)(=O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)C(C)C(O)=O)
δ(3)-cis-δ(2)-trans-enoyl-CoA isomerase
This multifunctional enzyme is induced during chromoplast differentiation in plants [1]. Isomerization of the epoxide ring of violaxanthin gives the cyclopentyl-ketone of capsorubin or capsanthin.
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CAPSORUBIN-atom25" order="1"/> <bond id="CAPSORUBIN-bond20" atomRefs="CAPSORUBIN-atom23 CAPSORUBIN-atom25" order="1"/> <bond id="CAPSORUBIN-bond21" atomRefs="CAPSORUBIN-atom23 CAPSORUBIN-atom24" order="1"/> <bond id="CAPSORUBIN-bond22" atomRefs="CAPSORUBIN-atom22 CAPSORUBIN-atom30" order="1"/> <bond id="CAPSORUBIN-bond23" atomRefs="CAPSORUBIN-atom24 CAPSORUBIN-atom22" order="1"/> <bond id="CAPSORUBIN-bond24" atomRefs="CAPSORUBIN-atom21 CAPSORUBIN-atom22" order="1"/> <bond id="CAPSORUBIN-bond25" atomRefs="CAPSORUBIN-atom21 CAPSORUBIN-atom28" order="2"/> <bond id="CAPSORUBIN-bond26" atomRefs="CAPSORUBIN-atom20 CAPSORUBIN-atom21" order="1"/> <bond id="CAPSORUBIN-bond27" atomRefs="CAPSORUBIN-atom19 CAPSORUBIN-atom20" order="2"/> <bond id="CAPSORUBIN-bond28" atomRefs="CAPSORUBIN-atom16 CAPSORUBIN-atom18" order="1"/> <bond id="CAPSORUBIN-bond29" atomRefs="CAPSORUBIN-atom12 CAPSORUBIN-atom17" order="1"/> <bond id="CAPSORUBIN-bond30" atomRefs="CAPSORUBIN-atom16 CAPSORUBIN-atom19" order="1"/> <bond id="CAPSORUBIN-bond31" atomRefs="CAPSORUBIN-atom15 CAPSORUBIN-atom16" order="2"/> <bond id="CAPSORUBIN-bond32" atomRefs="CAPSORUBIN-atom14 CAPSORUBIN-atom15" order="1"/> <bond id="CAPSORUBIN-bond33" atomRefs="CAPSORUBIN-atom13 CAPSORUBIN-atom14" order="2"/> <bond id="CAPSORUBIN-bond34" atomRefs="CAPSORUBIN-atom12 CAPSORUBIN-atom13" order="1"/> <bond id="CAPSORUBIN-bond35" atomRefs="CAPSORUBIN-atom11 CAPSORUBIN-atom12" order="2"/> <bond id="CAPSORUBIN-bond36" atomRefs="CAPSORUBIN-atom10 CAPSORUBIN-atom11" order="1"/> <bond id="CAPSORUBIN-bond37" atomRefs="CAPSORUBIN-atom9 CAPSORUBIN-atom10" order="2"/> <bond id="CAPSORUBIN-bond38" atomRefs="CAPSORUBIN-atom8 CAPSORUBIN-atom9" order="1"/> <bond id="CAPSORUBIN-bond39" atomRefs="CAPSORUBIN-atom6 CAPSORUBIN-atom8" order="2"/> <bond id="CAPSORUBIN-bond40" atomRefs="CAPSORUBIN-atom6 CAPSORUBIN-atom7" order="1"/> <bond id="CAPSORUBIN-bond41" atomRefs="CAPSORUBIN-atom5 CAPSORUBIN-atom6" order="1"/> <bond id="CAPSORUBIN-bond42" atomRefs="CAPSORUBIN-atom4 CAPSORUBIN-atom5" order="2"/> <bond id="CAPSORUBIN-bond43" atomRefs="CAPSORUBIN-atom3 CAPSORUBIN-atom4" order="1"/> <bond id="CAPSORUBIN-bond44" atomRefs="CAPSORUBIN-atom1 CAPSORUBIN-atom3" order="2"/> <bond id="CAPSORUBIN-bond45" atomRefs="CAPSORUBIN-atom1 CAPSORUBIN-atom2" order="1"/> <bond id="CAPSORUBIN-bond46" atomRefs="CAPSORUBIN-atom32 CAPSORUBIN-atom1" order="1"/> <formula concise="C 41 H 58 O 4" formalCharge="0"/> 614.907 CC(C=C(C)C(=O)C1(C(C)(C)CC(O)C1)(C))=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC(=O)C2(C(C)(C)CC(O)C2)(C)
<atom id="CAPSANTHIN-atom1" elementType="C" x2="-53082.0" y2="-6625.0"/> <atom id="CAPSANTHIN-atom2" elementType="C" x2="-53082.0" y2="1625.0"/> <atom id="CAPSANTHIN-atom3" elementType="C" x2="-45937.0" y2="5750.0"/> <atom id="CAPSANTHIN-atom4" elementType="C" x2="-38793.0" y2="1625.0"/> <atom id="CAPSANTHIN-atom5" elementType="C" x2="-31648.0" y2="-10750.0"/> <atom id="CAPSANTHIN-atom6" elementType="C" x2="-24503.0" y2="-6625.0"/> <atom id="CAPSANTHIN-atom7" elementType="C" x2="-17359.0" y2="-10750.0"/> <atom id="CAPSANTHIN-atom8" elementType="C" x2="-17359.0" y2="-19000.0"/> <atom id="CAPSANTHIN-atom9" elementType="C" x2="-10214.0" y2="-6625.0"/> <atom id="CAPSANTHIN-atom10" elementType="C" x2="-3069.0" y2="-10750.0"/> <atom id="CAPSANTHIN-atom11" elementType="C" x2="4075.0" y2="-6625.0"/> <atom id="CAPSANTHIN-atom12" elementType="C" x2="11220.0" y2="-10750.0"/> <atom id="CAPSANTHIN-atom13" elementType="C" x2="11220.0" y2="-19000.0"/> <atom id="CAPSANTHIN-atom14" elementType="C" x2="18365.0" y2="-6625.0"/> <atom id="CAPSANTHIN-atom15" elementType="C" x2="25510.0" y2="-10750.0"/> <atom id="CAPSANTHIN-atom16" elementType="C" x2="32654.0" y2="-6625.0"/> <atom id="CAPSANTHIN-atom17" elementType="C" x2="39799.0" y2="-10750.0"/> <atom id="CAPSANTHIN-atom18" elementType="C" x2="46944.0" y2="-6625.0"/> <atom id="CAPSANTHIN-atom19" elementType="C" x2="54088.0" y2="-10750.0"/> <atom id="CAPSANTHIN-atom20" elementType="C" x2="61233.0" y2="-6624.0"/> <atom id="CAPSANTHIN-atom21" elementType="C" x2="68378.0" y2="-10749.0"/> <atom id="CAPSANTHIN-atom22" elementType="C" x2="75523.0" y2="-6624.0"/> <atom id="CAPSANTHIN-atom23" elementType="C" x2="46944.0" y2="1625.0"/> <atom id="CAPSANTHIN-atom24" elementType="C" x2="75522.0" y2="1626.0"/> <atom id="CAPSANTHIN-atom25" elementType="C" x2="-51771.0" y2="-16584.0"/> <atom id="CAPSANTHIN-atom26" elementType="C" x2="-45937.0" y2="-10750.0"/> <atom id="CAPSANTHIN-atom27" elementType="C" x2="-38793.0" y2="-14875.0"/> <atom id="CAPSANTHIN-atom28" elementType="C" x2="-31648.0" y2="5750.0"/> <atom id="CAPSANTHIN-atom29" elementType="C" x2="-38793.0" y2="-6625.0"/> <atom id="CAPSANTHIN-atom30" elementType="C" x2="82667.0" y2="-10749.0"/> <atom id="CAPSANTHIN-atom31" elementType="C" x2="89812.0" y2="-6624.0"/> <atom id="CAPSANTHIN-atom32" elementType="C" x2="96956.0" y2="-10750.0"/> <atom id="CAPSANTHIN-atom33" elementType="C" x2="96956.0" y2="-19000.0"/> <atom id="CAPSANTHIN-atom34" elementType="C" x2="101081.0" y2="-31695.0"/> <atom id="CAPSANTHIN-atom35" elementType="C" x2="94407.0" y2="-26845.0"/> <atom id="CAPSANTHIN-atom36" elementType="C" x2="107755.0" y2="-26845.0"/> <atom id="CAPSANTHIN-atom37" elementType="C" x2="88808.0" y2="-17709.0"/> <atom id="CAPSANTHIN-atom38" elementType="O" x2="101081.0" y2="-39945.0"/> <atom id="CAPSANTHIN-atom39" elementType="O" x2="104101.0" y2="-6625.0"/> <atom id="CAPSANTHIN-atom40" elementType="C" x2="105206.0" y2="-10750.0"/> <atom id="CAPSANTHIN-atom41" elementType="C" x2="105206.0" y2="-19000.0"/> <atom id="CAPSANTHIN-atom42" elementType="C" x2="113175.0" y2="-21135.0"/> <atom id="CAPSANTHIN-atom43" elementType="O" x2="-60227.0" y2="5750.0"/> <bond id="CAPSANTHIN-bond1" atomRefs="CAPSANTHIN-atom2 CAPSANTHIN-atom43" order="1"/> <bond id="CAPSANTHIN-bond2" atomRefs="CAPSANTHIN-atom41 CAPSANTHIN-atom42" order="1"/> <bond id="CAPSANTHIN-bond3" atomRefs="CAPSANTHIN-atom41 CAPSANTHIN-atom40" order="1"/> <bond id="CAPSANTHIN-bond4" atomRefs="CAPSANTHIN-atom34 CAPSANTHIN-atom38" order="1"/> <bond id="CAPSANTHIN-bond5" atomRefs="CAPSANTHIN-atom33 CAPSANTHIN-atom37" order="1"/> <bond id="CAPSANTHIN-bond6" atomRefs="CAPSANTHIN-atom41 CAPSANTHIN-atom36" order="1"/> <bond id="CAPSANTHIN-bond7" atomRefs="CAPSANTHIN-atom34 CAPSANTHIN-atom36" order="1"/> <bond id="CAPSANTHIN-bond8" atomRefs="CAPSANTHIN-atom34 CAPSANTHIN-atom35" order="1"/> <bond id="CAPSANTHIN-bond9" atomRefs="CAPSANTHIN-atom33 CAPSANTHIN-atom41" order="1"/> <bond id="CAPSANTHIN-bond10" atomRefs="CAPSANTHIN-atom35 CAPSANTHIN-atom33" order="1"/> <bond id="CAPSANTHIN-bond11" atomRefs="CAPSANTHIN-atom32 CAPSANTHIN-atom33" order="1"/> <bond id="CAPSANTHIN-bond12" atomRefs="CAPSANTHIN-atom32 CAPSANTHIN-atom39" order="2"/> <bond id="CAPSANTHIN-bond13" atomRefs="CAPSANTHIN-atom31 CAPSANTHIN-atom32" order="1"/> <bond id="CAPSANTHIN-bond14" atomRefs="CAPSANTHIN-atom30 CAPSANTHIN-atom31" order="2"/> <bond id="CAPSANTHIN-bond15" atomRefs="CAPSANTHIN-atom4 CAPSANTHIN-atom28" order="1"/> <bond id="CAPSANTHIN-bond16" atomRefs="CAPSANTHIN-atom26 CAPSANTHIN-atom27" order="1"/> <bond id="CAPSANTHIN-bond17" atomRefs="CAPSANTHIN-atom26 CAPSANTHIN-atom25" order="1"/> <bond id="CAPSANTHIN-bond18" atomRefs="CAPSANTHIN-atom22 CAPSANTHIN-atom24" order="1"/> <bond id="CAPSANTHIN-bond19" atomRefs="CAPSANTHIN-atom18 CAPSANTHIN-atom23" order="1"/> <bond id="CAPSANTHIN-bond20" atomRefs="CAPSANTHIN-atom22 CAPSANTHIN-atom30" order="1"/> <bond id="CAPSANTHIN-bond21" atomRefs="CAPSANTHIN-atom21 CAPSANTHIN-atom22" order="2"/> <bond id="CAPSANTHIN-bond22" atomRefs="CAPSANTHIN-atom20 CAPSANTHIN-atom21" order="1"/> <bond id="CAPSANTHIN-bond23" atomRefs="CAPSANTHIN-atom19 CAPSANTHIN-atom20" order="2"/> <bond id="CAPSANTHIN-bond24" atomRefs="CAPSANTHIN-atom18 CAPSANTHIN-atom19" order="1"/> <bond id="CAPSANTHIN-bond25" atomRefs="CAPSANTHIN-atom17 CAPSANTHIN-atom18" order="2"/> <bond id="CAPSANTHIN-bond26" atomRefs="CAPSANTHIN-atom16 CAPSANTHIN-atom17" order="1"/> <bond id="CAPSANTHIN-bond27" atomRefs="CAPSANTHIN-atom15 CAPSANTHIN-atom16" order="2"/> <bond id="CAPSANTHIN-bond28" atomRefs="CAPSANTHIN-atom14 CAPSANTHIN-atom15" order="1"/> <bond id="CAPSANTHIN-bond29" atomRefs="CAPSANTHIN-atom12 CAPSANTHIN-atom14" order="2"/> <bond id="CAPSANTHIN-bond30" atomRefs="CAPSANTHIN-atom12 CAPSANTHIN-atom13" order="1"/> <bond id="CAPSANTHIN-bond31" atomRefs="CAPSANTHIN-atom11 CAPSANTHIN-atom12" order="1"/> <bond id="CAPSANTHIN-bond32" atomRefs="CAPSANTHIN-atom10 CAPSANTHIN-atom11" order="2"/> <bond id="CAPSANTHIN-bond33" atomRefs="CAPSANTHIN-atom9 CAPSANTHIN-atom10" order="1"/> <bond id="CAPSANTHIN-bond34" atomRefs="CAPSANTHIN-atom7 CAPSANTHIN-atom9" order="2"/> <bond id="CAPSANTHIN-bond35" atomRefs="CAPSANTHIN-atom7 CAPSANTHIN-atom8" order="1"/> <bond id="CAPSANTHIN-bond36" atomRefs="CAPSANTHIN-atom6 CAPSANTHIN-atom7" order="1"/> <bond id="CAPSANTHIN-bond37" atomRefs="CAPSANTHIN-atom5 CAPSANTHIN-atom6" order="2"/> <bond id="CAPSANTHIN-bond38" atomRefs="CAPSANTHIN-atom29 CAPSANTHIN-atom5" order="1"/> <bond id="CAPSANTHIN-bond39" atomRefs="CAPSANTHIN-atom4 CAPSANTHIN-atom29" order="2"/> <bond id="CAPSANTHIN-bond40" atomRefs="CAPSANTHIN-atom3 CAPSANTHIN-atom4" order="1"/> <bond id="CAPSANTHIN-bond41" atomRefs="CAPSANTHIN-atom2 CAPSANTHIN-atom3" order="1"/> <bond id="CAPSANTHIN-bond42" atomRefs="CAPSANTHIN-atom1 CAPSANTHIN-atom2" order="1"/> <bond id="CAPSANTHIN-bond43" atomRefs="CAPSANTHIN-atom26 CAPSANTHIN-atom29" order="1"/> <bond id="CAPSANTHIN-bond44" atomRefs="CAPSANTHIN-atom26 CAPSANTHIN-atom1" order="1"/> <formula concise="C 40 H 56 O 3" formalCharge="0"/> 584.881 CC(C=CC1(=C(C)CC(O)CC(C)(C)1))=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC(=O)C2(C(C)(C)CC(O)C2)(C)
(1,4)-alpha-D-glucan 1-alpha-D-glucosylmutase
Maltodextrin α-D-glucosyltransferase
<atom id="7,8-dihydropteroate-atom1" elementType="H" x2="0.0" y2="-3.0156"/> <atom id="7,8-dihydropteroate-atom2" elementType="N" x2="0.1631" y2="0.0"/> <atom id="7,8-dihydropteroate-atom3" elementType="O" x2="14.8058" y2="-4.6201"/> <atom id="7,8-dihydropteroate-atom4" elementType="O" x2="2.4449" y2="-4.3694"/> <atom id="7,8-dihydropteroate-atom5" elementType="O" x2="14.8167" y2="-2.1952"/> <atom id="7,8-dihydropteroate-atom6" elementType="C" x2="10.5511" y2="-2.1851"/> <atom id="7,8-dihydropteroate-atom7" elementType="C" x2="10.5511" y2="-4.6362"/> <atom id="7,8-dihydropteroate-atom8" elementType="C" x2="11.9834" y2="-2.1851"/> <atom id="7,8-dihydropteroate-atom9" elementType="C" x2="11.9834" y2="-4.6362"/> <atom id="7,8-dihydropteroate-atom10" elementType="C" x2="7.2021" y2="-3.3982"/> <atom id="7,8-dihydropteroate-atom11" elementType="C" x2="6.1341" y2="-0.8987"/> <atom id="7,8-dihydropteroate-atom12" elementType="N" x2="4.9202" y2="-2.9855"/> <atom id="7,8-dihydropteroate-atom13" elementType="N" x2="2.4449" y2="-0.2184"/> <atom id="7,8-dihydropteroate-atom14" elementType="N" x2="8.561" y2="-3.3982"/> <atom id="7,8-dihydropteroate-atom15" elementType="N" x2="4.9202" y2="-0.2184"/> <atom id="7,8-dihydropteroate-atom16" elementType="C" x2="14.1113" y2="-3.4045"/> <atom id="7,8-dihydropteroate-atom17" elementType="C" x2="6.1341" y2="-2.306"/> <atom id="7,8-dihydropteroate-atom18" elementType="C" x2="1.2069" y2="-0.8987"/> <atom id="7,8-dihydropteroate-atom19" elementType="C" x2="9.8475" y2="-3.3982"/> <atom id="7,8-dihydropteroate-atom20" elementType="C" x2="12.7113" y2="-3.3982"/> <atom id="7,8-dihydropteroate-atom21" elementType="C" x2="3.6822" y2="-0.8987"/> <atom id="7,8-dihydropteroate-atom22" elementType="C" x2="3.6822" y2="-2.306"/> <atom id="7,8-dihydropteroate-atom23" elementType="C" x2="2.4449" y2="-2.9855"/> <atom id="7,8-dihydropteroate-atom24" elementType="N" x2="1.2069" y2="-2.306"/> <bond id="7,8-dihydropteroate-bond1" atomRefs="7,8-dihydropteroate-atom24 7,8-dihydropteroate-atom23" order="A"/> <bond id="7,8-dihydropteroate-bond2" atomRefs="7,8-dihydropteroate-atom23 7,8-dihydropteroate-atom22" order="A"/> <bond id="7,8-dihydropteroate-bond3" atomRefs="7,8-dihydropteroate-atom22 7,8-dihydropteroate-atom21" order="A"/> <bond id="7,8-dihydropteroate-bond4" atomRefs="7,8-dihydropteroate-atom18 7,8-dihydropteroate-atom24" order="A"/> <bond id="7,8-dihydropteroate-bond5" atomRefs="7,8-dihydropteroate-atom16 7,8-dihydropteroate-atom20" order="1"/> <bond id="7,8-dihydropteroate-bond6" atomRefs="7,8-dihydropteroate-atom15 7,8-dihydropteroate-atom21" order="1"/> <bond id="7,8-dihydropteroate-bond7" atomRefs="7,8-dihydropteroate-atom14 7,8-dihydropteroate-atom19" order="1"/> <bond id="7,8-dihydropteroate-bond8" atomRefs="7,8-dihydropteroate-atom21 7,8-dihydropteroate-atom13" order="A"/> <bond id="7,8-dihydropteroate-bond9" atomRefs="7,8-dihydropteroate-atom13 7,8-dihydropteroate-atom18" order="A"/> <bond id="7,8-dihydropteroate-bond10" atomRefs="7,8-dihydropteroate-atom12 7,8-dihydropteroate-atom22" order="1"/> <bond id="7,8-dihydropteroate-bond11" atomRefs="7,8-dihydropteroate-atom12 7,8-dihydropteroate-atom17" order="2"/> <bond id="7,8-dihydropteroate-bond12" atomRefs="7,8-dihydropteroate-atom11 7,8-dihydropteroate-atom17" order="1"/> <bond id="7,8-dihydropteroate-bond13" atomRefs="7,8-dihydropteroate-atom11 7,8-dihydropteroate-atom15" order="1"/> <bond id="7,8-dihydropteroate-bond14" atomRefs="7,8-dihydropteroate-atom10 7,8-dihydropteroate-atom17" order="1"/> <bond id="7,8-dihydropteroate-bond15" atomRefs="7,8-dihydropteroate-atom10 7,8-dihydropteroate-atom14" order="1"/> <bond id="7,8-dihydropteroate-bond16" atomRefs="7,8-dihydropteroate-atom9 7,8-dihydropteroate-atom20" order="A"/> <bond id="7,8-dihydropteroate-bond17" atomRefs="7,8-dihydropteroate-atom20 7,8-dihydropteroate-atom8" order="A"/> <bond id="7,8-dihydropteroate-bond18" atomRefs="7,8-dihydropteroate-atom19 7,8-dihydropteroate-atom7" order="A"/> <bond id="7,8-dihydropteroate-bond19" atomRefs="7,8-dihydropteroate-atom7 7,8-dihydropteroate-atom9" order="A"/> <bond id="7,8-dihydropteroate-bond20" atomRefs="7,8-dihydropteroate-atom6 7,8-dihydropteroate-atom19" order="A"/> <bond id="7,8-dihydropteroate-bond21" atomRefs="7,8-dihydropteroate-atom8 7,8-dihydropteroate-atom6" order="A"/> <bond id="7,8-dihydropteroate-bond22" atomRefs="7,8-dihydropteroate-atom5 7,8-dihydropteroate-atom16" order="1"/> <bond id="7,8-dihydropteroate-bond23" atomRefs="7,8-dihydropteroate-atom4 7,8-dihydropteroate-atom23" order="2"/> <bond id="7,8-dihydropteroate-bond24" atomRefs="7,8-dihydropteroate-atom3 7,8-dihydropteroate-atom16" order="2"/> <bond id="7,8-dihydropteroate-bond25" atomRefs="7,8-dihydropteroate-atom2 7,8-dihydropteroate-atom18" order="1"/> <bond id="7,8-dihydropteroate-bond26" atomRefs="7,8-dihydropteroate-atom1 7,8-dihydropteroate-atom24" order="1"/> <formula concise="C 14 H 14 N 6 O 3" formalCharge="0"/> 314.303 C(Nc1(ccc(C(O)=O)cc1))C2(=Nc3(c(NC2)nc(N)[nH]c3=O))
<cml> <molecule id="THF-GLU-N" title="a tetrahydrofolate polyglutamate" dictRef="dictTHF-GLU-N"> <atomArray> <atom id="THF-GLU-N-atom1" elementType="H" x2="6.2042" y2="-6.6369"/> <atom id="THF-GLU-N-atom2" elementType="H" x2="0.0" y2="-2.8483"/> <atom id="THF-GLU-N-atom3" elementType="H" x2="7.1632" y2="-1.4542"/> <atom id="THF-GLU-N-atom4" elementType="N" x2="0.1037" y2="0.0"/> <atom id="THF-GLU-N-atom5" elementType="O" x2="2.3729" y2="-4.2456"/> <atom id="THF-GLU-N-atom6" elementType="R" x2="8.3027" y2="-5.1244"/> <atom id="THF-GLU-N-atom7" elementType="C" x2="5.96" y2="-0.854"/> <atom id="THF-GLU-N-atom8" elementType="C" x2="6.7653" y2="-3.5623"/> <atom id="THF-GLU-N-atom9" elementType="N" x2="2.3729" y2="-0.1461"/> <atom id="THF-GLU-N-atom10" elementType="N" x2="4.8129" y2="-0.1461"/> <atom id="THF-GLU-N-atom11" elementType="N" x2="4.8129" y2="-2.8543"/> <atom id="THF-GLU-N-atom12" elementType="C" x2="1.2259" y2="-0.854"/> <atom id="THF-GLU-N-atom13" elementType="C" x2="3.6172" y2="-0.854"/> <atom id="THF-GLU-N-atom14" elementType="C" x2="3.6172" y2="-2.171"/> <atom id="THF-GLU-N-atom15" elementType="C" x2="2.3729" y2="-2.8543"/> <atom id="THF-GLU-N-atom16" elementType="N" x2="6.7653" y2="-5.1244"/> <atom id="THF-GLU-N-atom17" elementType="N" x2="1.2259" y2="-2.171"/> <atom id="THF-GLU-N-atom18" elementType="C" x2="5.96" y2="-2.171"/> </atomArray> <bondArray> <bond id="THF-GLU-N-bond1" atomRefs="THF-GLU-N-atom15 THF-GLU-N-atom17" order="A"/> <bond id="THF-GLU-N-bond2" atomRefs="THF-GLU-N-atom14 THF-GLU-N-atom15" order="A"/> <bond id="THF-GLU-N-bond3" atomRefs="THF-GLU-N-atom13 THF-GLU-N-atom14" order="A"/> <bond id="THF-GLU-N-bond4" atomRefs="THF-GLU-N-atom17 THF-GLU-N-atom12" order="A"/> <bond id="THF-GLU-N-bond5" atomRefs="THF-GLU-N-atom11 THF-GLU-N-atom18" order="1"/> <bond id="THF-GLU-N-bond6" atomRefs="THF-GLU-N-atom11 THF-GLU-N-atom14" order="1"/> <bond id="THF-GLU-N-bond7" atomRefs="THF-GLU-N-atom10 THF-GLU-N-atom13" order="1"/> <bond id="THF-GLU-N-bond8" atomRefs="THF-GLU-N-atom9 THF-GLU-N-atom13" order="A"/> <bond id="THF-GLU-N-bond9" atomRefs="THF-GLU-N-atom12 THF-GLU-N-atom9" order="A"/> <bond id="THF-GLU-N-bond10" atomRefs="THF-GLU-N-atom18 THF-GLU-N-atom8" order="1"/> <bond id="THF-GLU-N-bond11" atomRefs="THF-GLU-N-atom8 THF-GLU-N-atom16" order="1"/> <bond id="THF-GLU-N-bond12" atomRefs="THF-GLU-N-atom7 THF-GLU-N-atom18" order="1"/> <bond id="THF-GLU-N-bond13" atomRefs="THF-GLU-N-atom7 THF-GLU-N-atom10" order="1"/> <bond id="THF-GLU-N-bond14" atomRefs="THF-GLU-N-atom6 THF-GLU-N-atom16" order="1"/> <bond id="THF-GLU-N-bond15" atomRefs="THF-GLU-N-atom5 THF-GLU-N-atom15" order="2"/> <bond id="THF-GLU-N-bond16" atomRefs="THF-GLU-N-atom4 THF-GLU-N-atom12" order="1"/> <bond id="THF-GLU-N-bond17" atomRefs="THF-GLU-N-atom18 THF-GLU-N-atom3" order="1"/> <bond id="THF-GLU-N-bond18" atomRefs="THF-GLU-N-atom2 THF-GLU-N-atom17" order="1"/> <bond id="THF-GLU-N-bond19" atomRefs="THF-GLU-N-atom1 THF-GLU-N-atom16" order="1"/> </bondArray> <formula concise="C 7 H 11 N 6 O 1 R 1" formalCharge="0"/> </molecule> </cml>
<cml> <molecule id="FORMYL-THF-GLU-N" title="an N10-formyl-tetrahydrofolate"> <atomArray> <atom id="FORMYL-THF-GLU-N-atom1" elementType="C" x2="-0.6563877" y2="0.51101315"/> <atom id="FORMYL-THF-GLU-N-atom2" elementType="R" x2="0.9955946" y2="-0.37004405"/> <atom id="FORMYL-THF-GLU-N-atom3" elementType="H" x2="-1.0" y2="0.0484581"/> <atom id="FORMYL-THF-GLU-N-atom4" elementType="N" x2="-0.37444937" y2="0.6740087"/> <atom id="FORMYL-THF-GLU-N-atom5" elementType="C" x2="0.60792947" y2="-0.07048464"/> <atom id="FORMYL-THF-GLU-N-atom6" elementType="N" x2="-0.94273126" y2="0.6740087"/> <atom id="FORMYL-THF-GLU-N-atom7" elementType="N" x2="-0.6563877" y2="0.185022"/> <atom id="FORMYL-THF-GLU-N-atom8" elementType="C" x2="0.47577083" y2="0.185022"/> <atom id="FORMYL-THF-GLU-N-atom9" elementType="C" x2="-0.37444937" y2="0.02202642"/> <atom id="FORMYL-THF-GLU-N-atom10" elementType="C" x2="0.47577083" y2="0.51101315"/> <atom id="FORMYL-THF-GLU-N-atom11" elementType="N" x2="0.19383252" y2="0.6740087"/> <atom id="FORMYL-THF-GLU-N-atom12" elementType="O" x2="0.5418502" y2="-1.0"/> <atom id="FORMYL-THF-GLU-N-atom13" elementType="O" x2="-0.37444937" y2="-0.30837005"/> <atom id="FORMYL-THF-GLU-N-atom14" elementType="N" x2="0.19383252" y2="0.02202642"/> <atom id="FORMYL-THF-GLU-N-atom15" elementType="C" x2="-0.09251106" y2="0.185022"/> <atom id="FORMYL-THF-GLU-N-atom16" elementType="C" x2="0.44933915" y2="-0.66519827"/> <atom id="FORMYL-THF-GLU-N-atom17" elementType="N" x2="0.60792947" y2="-0.37004405"/> <atom id="FORMYL-THF-GLU-N-atom18" elementType="C" x2="-0.09251106" y2="0.51101315"/> </atomArray> <bondArray> <bond id="FORMYL-THF-GLU-N-bond1" atomRefs="FORMYL-THF-GLU-N-atom18 FORMYL-THF-GLU-N-atom15" order="A"/> <bond id="FORMYL-THF-GLU-N-bond2" atomRefs="FORMYL-THF-GLU-N-atom18 FORMYL-THF-GLU-N-atom11" order="1"/> <bond id="FORMYL-THF-GLU-N-bond3" atomRefs="FORMYL-THF-GLU-N-atom17 FORMYL-THF-GLU-N-atom2" order="1"/> <bond id="FORMYL-THF-GLU-N-bond4" atomRefs="FORMYL-THF-GLU-N-atom17 FORMYL-THF-GLU-N-atom16" order="1"/> <bond id="FORMYL-THF-GLU-N-bond5" atomRefs="FORMYL-THF-GLU-N-atom16 FORMYL-THF-GLU-N-atom12" order="2"/> <bond id="FORMYL-THF-GLU-N-bond6" atomRefs="FORMYL-THF-GLU-N-atom15 FORMYL-THF-GLU-N-atom9" order="A"/> <bond id="FORMYL-THF-GLU-N-bond7" atomRefs="FORMYL-THF-GLU-N-atom14 FORMYL-THF-GLU-N-atom15" order="1"/> <bond id="FORMYL-THF-GLU-N-bond8" atomRefs="FORMYL-THF-GLU-N-atom14 FORMYL-THF-GLU-N-atom8" order="1"/> <bond id="FORMYL-THF-GLU-N-bond9" atomRefs="FORMYL-THF-GLU-N-atom11 FORMYL-THF-GLU-N-atom10" order="1"/> <bond id="FORMYL-THF-GLU-N-bond10" atomRefs="FORMYL-THF-GLU-N-atom10 FORMYL-THF-GLU-N-atom8" order="1"/> <bond id="FORMYL-THF-GLU-N-bond11" atomRefs="FORMYL-THF-GLU-N-atom9 FORMYL-THF-GLU-N-atom7" order="A"/> <bond id="FORMYL-THF-GLU-N-bond12" atomRefs="FORMYL-THF-GLU-N-atom9 FORMYL-THF-GLU-N-atom13" order="2"/> <bond id="FORMYL-THF-GLU-N-bond13" atomRefs="FORMYL-THF-GLU-N-atom8 FORMYL-THF-GLU-N-atom5" order="1"/> <bond id="FORMYL-THF-GLU-N-bond14" atomRefs="FORMYL-THF-GLU-N-atom7 FORMYL-THF-GLU-N-atom3" order="1"/> <bond id="FORMYL-THF-GLU-N-bond15" atomRefs="FORMYL-THF-GLU-N-atom7 FORMYL-THF-GLU-N-atom1" order="A"/> <bond id="FORMYL-THF-GLU-N-bond16" atomRefs="FORMYL-THF-GLU-N-atom5 FORMYL-THF-GLU-N-atom17" order="1"/> <bond id="FORMYL-THF-GLU-N-bond17" atomRefs="FORMYL-THF-GLU-N-atom4 FORMYL-THF-GLU-N-atom18" order="A"/> <bond id="FORMYL-THF-GLU-N-bond18" atomRefs="FORMYL-THF-GLU-N-atom1 FORMYL-THF-GLU-N-atom4" order="A"/> <bond id="FORMYL-THF-GLU-N-bond19" atomRefs="FORMYL-THF-GLU-N-atom1 FORMYL-THF-GLU-N-atom6" order="1"/> </bondArray> <formula concise="C 8 H 11 N 6 O 2 R 1" formalCharge="0"/> </molecule> </cml>
Phosphoribosylaminoimidazole-succinocarboxamide synthetase
5,10-methenyltetrahydrofolate synthetase
Carbamoyl-phosphate synthetase (ammonia)
phosphoribosylformylglycinamidine synthetase
formylglycinamide ribotide amidotransferase
branched chain fatty acid biosynthesis --initial steps
Isovaleryl-CoA, initial condensation of condensation of elongation cycle that yields iso-branched fatty acid with an odd number of carbons.
branched fatty acid biosynthesis -- II initial steps
The initial condensation of capsaicin fatty acid biosynthesis that yields isobranched even carbon fatty acids.
branched chain fatty acid biosynthesis -I initial steps
Initial condensation steps of elongation cycle that yields anteiso-branched fatty acid with odd number of carbons.
branched fatty acid biosynthesis -III initial steps
superpathway of aspartate and asparagine biosynthesis; interconversion of aspartate and asparagine.
superpathway of leucine, valine, and isoleucine biosynthesis
superpathway of phenylalanine, tyrosine and tryptophan biosynthesis
complete aromatic amino acid biosynthesis
superpathway of lysine, threonine and methionine biosynthesis I
superpathway of phenylalanine, tyrosine, and tryptophan biosynthesis from chorismate
aromatic amino acid biosynthesis from chorismate
superpathway of lysine, threonine and methionine biosynthesis II
superpathway of serine and glycine biosynthesis I
superpathway of isoleucine and valine biosynthesis
methionine and S-adenosylmethionine synthesis
superpathway of serine and glycine biosynthesis II
β-alanine biosynthesis from proprionate
methionine biosynthesis from homoserine II
UDP-glucuronate biosynthesis (from UDP-glucose)
UDP-glucuronic acid biosynthesis (from UDP-glucose)
glycogen biosynthesis I (from ADP-D-Glucose)
glycogen biosynthesis II (from UDP-D-Glucose)
colanic acid building blocks biosynthesis
enterobacterial common antigen biosynthesis
superpathway of KDO2-lipid A biosynthesis
NIL General Information: The biosynthesis of |FRAME: DELTA3-ISOPENTENYL-PP| (IPP) occurs via two distinct routes: the |FRAME: PWY-922| (MVA pathway) and the |FRAME:NONMEVIPP-PWY| (MEP pathway, this pathway). In the former, IPP is synthesized from the condensation of three acetyl-CoA molecules; in contrast, in the MEP pathway IPP is synthesized via the condensation of |FRAME: PYRUVATE| and |FRAME: GAP|. For many years, the MVA pathway was considered to be the sole source of IPP in all living organisms, however, several inconsistencies led to the discovery of the MEP pathway in bacteria and plants. In plants the MVA pathway is located in the cytosol whilst the MEP pathway is found in plastids |CITS:[LICHTENTHALER97]|. In addition to the plastids of plants, the MEP pathway is present in many bacteria. However, it is not present in mammals.
nonmevalonate isopentenyl diphosphate biosynthesis
isopentenyl diphosphate biosynthesis -- mevalonate-independent
Biosynthesis of isoprenoids (carotenoids, sterols, prenyl side-chains of chlorophylls and plastoquinone) via a novel pyruvate/glyceraldehyde 3-phosphate non-mevalonate pathway in the green alga Scenedesmus obliquus
Journal of the American Chemical Society 118:2564-2566 (1996)
Glyceraldehyde 3-phosphate and pyruvate as precursors of isoprenic units in an alternative non-mevalonate pathway for terpenoid biosynthesis
General Information: |FRAME: FARNESYL-PP| (farnesyl pyrophosphate, FPP) is a crucial compound involved in the biosynthesis of a variety of terpenoids including sesquiterpenoids and sterols. Moreover, FPP is also used in posttranslational modifications of proteins (farnesylation) which is believed to act as a membrane attachment device. The biosynthesis of FPP is largely thought to occur in the cytosol where sesquiterpenoids and sterols are produced. This cytosolic FPP is synthesized from the condensation of |FRAME: CPD-4211| (dimethylallyl pyrophosphate, DMAPP) and two molecules of |FRAME: DELTA3-ISOPENTENYL-PP| (isopentenyl pyrophosphate, IPP) originating from the |FRAME:PWY-922| |CITS:[16179482][11289612]|. In plants FPP is found not only in the cytosol, but also in plastids and mitochondria |CITS:[14630967] [16179482]|) where IPP and DMAPP may originate from the |FRAME:NONMEVIPP-PWY| instead of the mevalonate pathway. The synthesis of FPP is the result of two head-to-tail condensation reactions: first |FRAME: GERANYL-PP| (geranyl pyrophosphate, GPP) is formed from the condensation of DMAPP and IPP; then another IPP molecule is added to form FPP.
trans,trans-farnesyl diphosphate biosynthesis
isopentenyl diphosphate biosynthesis - mevalonate dependent
tryptophan degradation VII (via indole-3-pyruvate)
gibberellin biosynthesis III (early C-13 hydroxylation)
gibberellin biosynthesis II (early C-3 hydroxylation)
superpathway of gibberellin biosynthesis
gibberellin biosynthesis I (non C-3, non C-13 hydroxylation)
gibberellin biosynthesis I (late C-3 hydroxylation)
gibberellin biosynthesis I (late C-13 hydroxylation)
fatty acid biosynthesis - initial steps II (plant)
de novo fatty acid biosynthesis, initial reactions
purine nucleotides de novo biosynthesis I
purine nucleotides de novo biosynthesis II
salvage pathways of purine and pyrimidine nucleotides
salvage pathways of purine nucleosides II (plant)
de novo biosynthesis of pyrimidine ribonucleotides
salvage pathways of pyrimidine ribonucleotides
pyrimidine ribonucleotide/ribonucleoside metabolism
de novo biosynthesis of pyrimidine deoxyribonucleotides
deoxypyrimidine nucleotide/nucleoside metabolism
superpathway of arginine and polyamine biosynthesis
superpathway of polyamine biosynthesis II
glycine betaine biosynthesis I (Gram-negative bacteria)
glycine betaine biosynthesis II (Gram-positive bacteria)
glycine betaine biosynthesis III (plants)
superpathway of pterocarpan biosynthesis (via formononetin)
tryptophan degradation VI (via tryptamine)
Hydroxycinnamic acid serotonin amides belong to the larger group of N-hydroxycinnamic acid amides (HCAAs). HCAAs are synthesized by the condensation of hydroxycinnamoyl-CoA thioesters and aromatic amines. The hydroxycinnamoyl-CoA thioesters include cinnamoyl-CoA, p-coumaroyl-CoA, caffeoyl-CoA, feruloyl-CoA and sinapoyl-CoA. The aromatic amines include tyramine, octopamine, tryptamine, serotonin, dopamine and noradrenaline. The biosynthesis of HCAAs of serotonin is catalyzed by serotonin N-hydroxycinnamoyltransferase. Serotonin amides have only been reported in rice, pepper, and a few other plants. They have been reported to be antioxidants. Their role in plants is not clear.
hydroxycinnamic acid serotonin amides biosynthesis
hydroxycinnamic acid amides biosynthesis
The pungency in food flavored with chilli or hot peppers comes from phenolic alkaloids called capsaicinoids. These are exclusively produced in fruits of plants belonging to the |FRAME: TAX-4071| genus. A quarter of the world consumes hot peppers in some form daily |CITS: [16938870]|. Structurally capsaicinoids have a common aromatic moiety, |FRAME: CPD-9327| and variable lengths of short chain fatty acids that also differ in the degree of unsaturation |CITS: [CURRY99]|. The accumulation of capsaicinoids is strictly correlated with developental stages of the fruit and usually spans the ripening stages after fruit size increase has ceased |CITS: [SUKRASNO93]|. The capsaicinoids are localized in the epidermal cells of the fruit placenta |CITS: [12810854]|. Pungency differs considerably in species ranging from very hot to sweet peppers and has a positive relation with amount of critical capsaicinoids biosynthetic gene expression |CITS: [12810854]|, |FRAME: CAPSAICIN| and |FRAME: CPD-9185| are the most common types, other naturally occurring capsaicinoids include |FRAME: CPD-9182|, |FRAME: CPD-9333|, |FRAME: CPD-9331|, |FRAME: CPD-9181|, and |FRAME: CPD-9330| differing in fatty acid chain length (n=7-10) |CITS: [CURRY99]|. The pathway leading to capsaicin formation has two distinct arms, one that contributes the fatty acid moiety, usually from an amino acid like valine and the other is a aromatic component that is derived from the |FRAME: PWY-361| |CITS: [SUKRASNO93]|. The initial steps of |FRAME: PWY-361| is similar to ones in other plants that give rise to a number of metabolic intermediates, but the steps from |FRAME: FERULIC-ACID| to |FRAME: CPD-9327| production is unique to |FRAME: TAX-4071|. Vanilloid receptor (VR1) is responsible for the perception of these compounds, birds the main dispersal agent of |FRAME: TAX-4071| seeds lack a functional VR1. In humans, the VR1 is involved in the pain sensing pathways |CITS: [10764638]| and capsaicins have been used as analgesics and are an effective treatment against nerve pain and arthritis |CITS: [11387594]|.
phenylpropanoid biosynthesis, initial reactions
|FRAME: GERANYLGERANYL-PP| (also known as geranylgeranyl pyrophosphate, or GGPP) is a crucial compound involved in the biosynthesis of a variety of terpenes and terpenoids, including central compounds such as ubiquinones and menaquinones. In plants, |FRAME: GERANYLGERANYL-PP| is an intermediate in the biosynthesis of essentail compounds such as chlorophylls, carotenoids, tocopherols, plastoquinones, and gibberellins |CITS:[12427975]|, as well as a variety of secondary metabolites. In addition, GGPP is also used in posttranslational modifications of proteins (geranylgeranylation) which is important for membrane adhesion as well as the function of some proteins |CITS:[11500541][16183844]|. GGPP is synthesized from |FRAME: FARNESYL-PP| either by dedicated enzymes, such as the |FRAME: MONOMER-13701| of |FRAME: ORG-5858|, or by the action of polyprenyl transferases such as the |FRAME: MONOMER-13766| from |FRAME: TAX-1061| or |FRAME: CPLX0-7426| from |FRAME: TAX-83333|. It should be noted that the building blocks for |FRAME: FARNESYL-PP| are synthesized in different organisms by different pathways. While most eukaryotes and some bacteria use the |FRAME: PWY-922|, most bacteria, as well as green algae utilize the |FRAME: NONMEVIPP-PWY| (as described in the two superpathways |FRAME: PWY-5910| and |FRAME: PWY-5121|). In plants, GGPP is synthesized using both routes - in the cytosol using the |FRAME: PWY-922|, and in the plastids using the |FRAME: NONMEVIPP-PWY|.
General Information: |FRAME: GERANYLGERANYL-PP| (also known as geranylgeranyl pyrophosphate, or GGPP) is a crucial compound involved in the biosynthesis of a variety of terpenes and terpenoids, including central compounds such as ubiquinones and menaquinones. In plants, |FRAME: GERANYLGERANYL-PP| is an intermediate in the biosynthesis of essentail compounds such as chlorophylls, carotenoids, tocopherols, plastoquinones, and gibberellins |CITS:[12427975]|, as well as a variety of secondary metabolites. In addition, GGPP is also used in posttranslational modifications of proteins (geranylgeranylation) which is important for membrane adhesion as well as the function of some proteins |CITS:[11500541][16183844]|. GGPP is synthesized from |FRAME: FARNESYL-PP| either by dedicated enzymes, such as the |FRAME: MONOMER-13701| of |FRAME: ORG-5858|, or by the action of polyprenyl transferases such as the |FRAME: MONOMER-13766| from |FRAME: TAX-1061| or |FRAME: CPLX0-7426| from |FRAME: TAX-83333|. It should be noted that the building blocks for |FRAME: FARNESYL-PP| are synthesized in different organisms by different pathways. While most eukaryotes and some bacteria use the |FRAME: PWY-922|, most bacteria, as well as green algae utilize the |FRAME: NONMEVIPP-PWY| (as described in the two superpathways |FRAME: PWY-5910| and |FRAME: PWY-5121|). In plants, GGPP is synthesized using both routes - in the cytosol using the |FRAME: PWY-922|, and in the plastids using the |FRAME: NONMEVIPP-PWY|. This superpathway describes the production of GGPP via the |FRAME:NONMEVIPP-PWY|. In plants, plastidic GGPP is a central metabolite, involved in the biosythesis of a variety of compounds (see list given above).
superpathway of geranylgeranyldiphosphate biosynthesis II (via MEP)
General information on carotenoids: Carotenoids with cyclic ends are integral constituents of plants, algae and cyanobacteria photosynthetic reaction centers |CITS:[GOODWIN80],[YOUNG93]|. Animals, including humans, cannot synthesize carotenoids, although they are an essential source of retinoids and vitamin A. These isoprenoids pigments are lipid-soluble and are involved in a variety of functions including: protection against photooxidative stress through energy-dissipation of excess light absorbed by the antenna pigments; light-harvest for photosynthesis; the prominent lutein, as well as zeaxanthin, are involved in the reduction of cataract and macular degeneration; others are exploited as coloring agents in flowers and fruits to attract pollinators (and in industry as food colorant) and agents of seed dispersal; finally they are precursors for the plant growth hormone abscisic acid and vitamin A (for a succinct review of the applications of carotenoids, see |CITS:[15012246]|). Carotenoids are C40 isoprenoids which consist of eight isoprene units and can be divided in two major groups: carotene and xanthophylls. Carotenes are linear or cyclized hydrocarbons such as lycopene, α-carotene and β-carotene. Xanthophylls are oxygenated derivatives (epoxy, keto or hydroxyl groups) of carotenes; for example: lutein, zeaxanthin. The carotenoid composition varies from species to species; the concentration and composition of xanthophylls are affected by light intensity and the accumulation of specific carotenoids in fruit and flower chromoplasts is a highly, developmentally regulated process |CITS:[12232210][8485401]|. Important carotenoids variations are observed during fruit ripening (for review, see |CITS:[10205893]|). Higher plant chloroplasts typically accumulate lutein, β-carotene, violaxanthin and neoxanthin in the thylakoid membrane-bound photosystems |CITS:[1885603][RYBERG93]|. β-Carotene is generally found in the reaction center where it plays a critical photoprotective role by quenching triplet chlorophyll and singlet oxygen, and can undergo rapid degradation during photooxidation |CITS:[YOUNG93B]|. Adjacent to the reaction centers, in the core complex proteins, β-carotene and lutein can be found |CITS:[1885603][8444169]|. Finally, the surrounding antenna complexes contain xanthophylls (lutein, violaxanthin and neoxanthin) |CITS:[1885603][8444169]|. In the chromoplasts of ripening fruits and flower petals, and in the chloroplasts of senescing leaves, the carotenoids are found in membranes or in oil bodies or other structures within the stroma. General information on paprika carotenoids: Capsanthin and capsorubin are two disctinctive xanthophylls unique to the Capsicum family. They contain a 'cyclopentane' ring (cyclo- = ring; -pent- = five carbons; -ane = single bonds). These xanthophylls are responsible for the bright red colors of ripe peppers. The major red color in paprika (Capsicum annuum, pepper) comes from the carotenoids capsanthin and capsorubin, while the yellow-orange color is from beta-carotene and violaxanthin |CITS:[reeves87]|. Capsanthin which represents one of the major carotenoid in ripe pepper fruits, contributes up to 60% of the total carotenoids. Capsanthin and capsorubin increase proportionally with increased fruit maturation; capsanthin is the more stable of the two |CITS:[kanner77]|. Both capsanthin and capsorubin have demonstrated significant antioxidant activity. A recent study found that capsanthin's radical-scavenging action was as strong as that of β-carotene, lutein, and zeaxanthin. In addition, it was shown to be more resistant to decomposition, and retained its antioxidant properties longer than the other carotenoids. About 70 - 80% of the capsanthin was found to be 'esterified' with various fatty acids; these esterified xanthophylls were also determined to have antioxidant properties |CITS:[matsufuji98]|.
Antioxidant Activity of Capsanthin and the Fatty Acid Esters in Paprika (Capsicum annuum)
gibberellin biosynthesis IV (Gibberella fujikuroi)
glycerol and glycerophosphodiester degradation
N-acetylglucosamine , N-acetylmannosamine and N-acetylneuraminic acid dissimilation
superpathway of arginine, putrescine, and 4-aminobutyrate degradation
arginine degradation V (arginine deiminase pathway)
superpathway of arginine and ornithine degradation
glutamate degradation VIII (to propionate)
desulfonation of 2-aminobenzenesulfonate, benzenesulfonate and 4-toluenesulfonate
formaldehyde assimilation I (serine pathway)
formaldehyde assimilation II (RuMP Cycle)
Entner-Doudoroff pathway II (non-phosphorylative)
Entner-Doudoroff pathway III (semi-phosphorylative)
sucrose degradation to ethanol and lactate (anaerobic)
superpathway of glycolysis+Entner-Doudoroff
fructose degradation to pyruvate and lactate (anaerobic)
superpathway of glycolysis, pyruvate dehydrogenase, TCA, and glyoxylate bypass
superpathway of glycolysis and TCA variant VIII
non-oxidative branch of the pentose phosphate pathway
oxidative branch of the pentose phosphate pathway
pentose phosphate pathway, Mycoplasma pneumonia
superpathway of oxidative and non-oxidative branches of pentose phosphate pathway
In response to high light, plants have evolved photo protection mechanisms to dissipate the excess absorbed light energy and thus avoid damages to the photosynthetic apparatus. One of the mechanisms is through transfer of the absorbed energy from chlorophyll a to xanthophyll pigment zeaxanthin since excited zeaxanthin decays to the ground level much more rapidly than excited chlorophyll a. Under excessive light condition, violaxanthin is converted to zeaxanthin in the xanthophyll cycle, and thus accelerates the energy dissipation from excited chlorophyll a to zeaxanthin.
C2 photorespiratory carbon oxidation cycle
superpathway of D-glucarate and D-galactarate degradation
D-glucarate and D-galactarate catabolism superpathway
superpathway of histidine, purine and pyrimidine biosynthesis
superpathway of saturated and unsaturated fatty acid elongation
superpathway of ribose and deoxyribose phosphate degradation