biopax-level3ChemicalStructure171650

Source:http://biocyc.org/biopax/biopax-level3ChemicalStructure171650

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Predicate	Object
rdf:type	biopax3:ChemicalStructure
biopax3:structureData	<cml> <molecule id="UBIQUINONE-8" title="ubiquinone-8" formalCharge="0" dictRef="dictUBIQUINONE-8"> <atomArray> <atom id="UBIQUINONE-8-atom1" elementType="C" x2="-237980.0" y2="-310620.0"/> <atom id="UBIQUINONE-8-atom2" elementType="C" x2="-308020.0" y2="-186070.0"/> <atom id="UBIQUINONE-8-atom3" elementType="C" x2="47790.0" y2="-313850.0"/> <atom id="UBIQUINONE-8-atom4" elementType="C" x2="336660.0" y2="-317050.0"/> <atom id="UBIQUINONE-8-atom5" elementType="C" x2="619300.0" y2="-320300.0"/> <atom id="UBIQUINONE-8-atom6" elementType="C" x2="905060.0" y2="-323530.0"/> <atom id="UBIQUINONE-8-atom7" elementType="C" x2="1190830.0" y2="-326750.0"/> <atom id="UBIQUINONE-8-atom8" elementType="C" x2="1476590.0" y2="-329980.0"/> <atom id="UBIQUINONE-8-atom9" elementType="C" x2="1763840.0" y2="-333210.0"/> <atom id="UBIQUINONE-8-atom10" elementType="O" x2="2050510.0" y2="0.0"/> <atom id="UBIQUINONE-8-atom11" elementType="O" x2="2053280.0" y2="-337360.0"/> <atom id="UBIQUINONE-8-atom12" elementType="C" x2="-165140.0" y2="-187690.0"/> <atom id="UBIQUINONE-8-atom13" elementType="C" x2="120630.0" y2="-190910.0"/> <atom id="UBIQUINONE-8-atom14" elementType="C" x2="406380.0" y2="-194140.0"/> <atom id="UBIQUINONE-8-atom15" elementType="C" x2="692140.0" y2="-197370.0"/> <atom id="UBIQUINONE-8-atom16" elementType="C" x2="977900.0" y2="-200600.0"/> <atom id="UBIQUINONE-8-atom17" elementType="C" x2="1263660.0" y2="-203820.0"/> <atom id="UBIQUINONE-8-atom18" elementType="C" x2="1549410.0" y2="-207050.0"/> <atom id="UBIQUINONE-8-atom19" elementType="C" x2="1835180.0" y2="-210280.0"/> <atom id="UBIQUINONE-8-atom20" elementType="C" x2="-94160.0" y2="-229740.0"/> <atom id="UBIQUINONE-8-atom21" elementType="C" x2="191610.0" y2="-232970.0"/> <atom id="UBIQUINONE-8-atom22" elementType="C" x2="477360.0" y2="-236200.0"/> <atom id="UBIQUINONE-8-atom23" elementType="C" x2="763120.0" y2="-239420.0"/> <atom id="UBIQUINONE-8-atom24" elementType="C" x2="1048880.0" y2="-242650.0"/> <atom id="UBIQUINONE-8-atom25" elementType="C" x2="1334640.0" y2="-245880.0"/> <atom id="UBIQUINONE-8-atom26" elementType="C" x2="1620390.0" y2="-249110.0"/> <atom id="UBIQUINONE-8-atom27" elementType="C" x2="1906160.0" y2="-252330.0"/> <atom id="UBIQUINONE-8-atom28" elementType="C" x2="-22250.0" y2="-189300.0"/> <atom id="UBIQUINONE-8-atom29" elementType="C" x2="263510.0" y2="-192530.0"/> <atom id="UBIQUINONE-8-atom30" elementType="C" x2="549260.0" y2="-195750.0"/> <atom id="UBIQUINONE-8-atom31" elementType="C" x2="835030.0" y2="-198980.0"/> <atom id="UBIQUINONE-8-atom32" elementType="C" x2="1120790.0" y2="-202210.0"/> <atom id="UBIQUINONE-8-atom33" elementType="C" x2="1406550.0" y2="-205440.0"/> <atom id="UBIQUINONE-8-atom34" elementType="C" x2="1692300.0" y2="-208670.0"/> <atom id="UBIQUINONE-8-atom35" elementType="C" x2="-237050.0" y2="-228120.0"/> <atom id="UBIQUINONE-8-atom36" elementType="C" x2="48730.0" y2="-231350.0"/> <atom id="UBIQUINONE-8-atom37" elementType="C" x2="334480.0" y2="-234580.0"/> <atom id="UBIQUINONE-8-atom38" elementType="C" x2="620230.0" y2="-237810.0"/> <atom id="UBIQUINONE-8-atom39" elementType="C" x2="905990.0" y2="-241040.0"/> <atom id="UBIQUINONE-8-atom40" elementType="C" x2="1191760.0" y2="-244260.0"/> <atom id="UBIQUINONE-8-atom41" elementType="C" x2="1477520.0" y2="-247490.0"/> <atom id="UBIQUINONE-8-atom42" elementType="C" x2="1763270.0" y2="-250720.0"/> <atom id="UBIQUINONE-8-atom43" elementType="C" x2="1978070.0" y2="-211900.0"/> <atom id="UBIQUINONE-8-atom44" elementType="C" x2="2123050.0" y2="-211900.0"/> <atom id="UBIQUINONE-8-atom45" elementType="C" x2="2050510.0" y2="-83650.0"/> <atom id="UBIQUINONE-8-atom46" elementType="C" x2="2050510.0" y2="-270460.0"/> <atom id="UBIQUINONE-8-atom47" elementType="C" x2="1978070.0" y2="-128250.0"/> <atom id="UBIQUINONE-8-atom48" elementType="C" x2="1906620.0" y2="-87000.0"/> <atom id="UBIQUINONE-8-atom49" elementType="C" x2="2123050.0" y2="-125470.0"/> <atom id="UBIQUINONE-8-atom50" elementType="O" x2="2198270.0" y2="-270460.0"/> <atom id="UBIQUINONE-8-atom51" elementType="C" x2="2198270.0" y2="-352950.0"/> <atom id="UBIQUINONE-8-atom52" elementType="O" x2="2194490.0" y2="-84220.0"/> <atom id="UBIQUINONE-8-atom53" elementType="C" x2="2194490.0" y2="-1720.0"/> </atomArray> <bondArray> <bond id="UBIQUINONE-8-bond1" atomRefs="UBIQUINONE-8-atom52 UBIQUINONE-8-atom53" order="1"/> <bond id="UBIQUINONE-8-bond2" atomRefs="UBIQUINONE-8-atom50 UBIQUINONE-8-atom51" order="1"/> <bond id="UBIQUINONE-8-bond3" atomRefs="UBIQUINONE-8-atom44 UBIQUINONE-8-atom46" order="1"/> <bond id="UBIQUINONE-8-bond4" atomRefs="UBIQUINONE-8-atom43 UBIQUINONE-8-atom46" order="1"/> <bond id="UBIQUINONE-8-bond5" atomRefs="UBIQUINONE-8-atom50 UBIQUINONE-8-atom44" order="1"/> <bond id="UBIQUINONE-8-bond6" atomRefs="UBIQUINONE-8-atom34 UBIQUINONE-8-atom42" order="1"/> <bond id="UBIQUINONE-8-bond7" atomRefs="UBIQUINONE-8-atom33 UBIQUINONE-8-atom41" order="1"/> <bond id="UBIQUINONE-8-bond8" atomRefs="UBIQUINONE-8-atom32 UBIQUINONE-8-atom40" order="1"/> <bond id="UBIQUINONE-8-bond9" atomRefs="UBIQUINONE-8-atom31 UBIQUINONE-8-atom39" order="1"/> <bond id="UBIQUINONE-8-bond10" atomRefs="UBIQUINONE-8-atom30 UBIQUINONE-8-atom38" order="1"/> <bond id="UBIQUINONE-8-bond11" atomRefs="UBIQUINONE-8-atom29 UBIQUINONE-8-atom37" order="1"/> <bond id="UBIQUINONE-8-bond12" atomRefs="UBIQUINONE-8-atom28 UBIQUINONE-8-atom36" order="1"/> <bond id="UBIQUINONE-8-bond13" atomRefs="UBIQUINONE-8-atom27 UBIQUINONE-8-atom43" order="1"/> <bond id="UBIQUINONE-8-bond14" atomRefs="UBIQUINONE-8-atom26 UBIQUINONE-8-atom34" order="1"/> <bond id="UBIQUINONE-8-bond15" atomRefs="UBIQUINONE-8-atom25 UBIQUINONE-8-atom33" order="1"/> <bond id="UBIQUINONE-8-bond16" atomRefs="UBIQUINONE-8-atom24 UBIQUINONE-8-atom32" order="1"/> <bond id="UBIQUINONE-8-bond17" atomRefs="UBIQUINONE-8-atom23 UBIQUINONE-8-atom31" order="1"/> <bond id="UBIQUINONE-8-bond18" atomRefs="UBIQUINONE-8-atom22 UBIQUINONE-8-atom30" order="1"/> <bond id="UBIQUINONE-8-bond19" atomRefs="UBIQUINONE-8-atom21 UBIQUINONE-8-atom29" order="1"/> <bond id="UBIQUINONE-8-bond20" atomRefs="UBIQUINONE-8-atom20 UBIQUINONE-8-atom28" order="1"/> <bond id="UBIQUINONE-8-bond21" atomRefs="UBIQUINONE-8-atom49 UBIQUINONE-8-atom45" order="1"/> <bond id="UBIQUINONE-8-bond22" atomRefs="UBIQUINONE-8-atom49 UBIQUINONE-8-atom44" order="2"/> <bond id="UBIQUINONE-8-bond23" atomRefs="UBIQUINONE-8-atom47 UBIQUINONE-8-atom45" order="1"/> <bond id="UBIQUINONE-8-bond24" atomRefs="UBIQUINONE-8-atom47 UBIQUINONE-8-atom43" order="2"/> <bond id="UBIQUINONE-8-bond25" atomRefs="UBIQUINONE-8-atom19 UBIQUINONE-8-atom42" order="2"/> <bond id="UBIQUINONE-8-bond26" atomRefs="UBIQUINONE-8-atom19 UBIQUINONE-8-atom27" order="1"/> <bond id="UBIQUINONE-8-bond27" atomRefs="UBIQUINONE-8-atom18 UBIQUINONE-8-atom41" order="2"/> <bond id="UBIQUINONE-8-bond28" atomRefs="UBIQUINONE-8-atom18 UBIQUINONE-8-atom26" order="1"/> <bond id="UBIQUINONE-8-bond29" atomRefs="UBIQUINONE-8-atom17 UBIQUINONE-8-atom40" order="2"/> <bond id="UBIQUINONE-8-bond30" atomRefs="UBIQUINONE-8-atom17 UBIQUINONE-8-atom25" order="1"/> <bond id="UBIQUINONE-8-bond31" atomRefs="UBIQUINONE-8-atom16 UBIQUINONE-8-atom39" order="2"/> <bond id="UBIQUINONE-8-bond32" atomRefs="UBIQUINONE-8-atom16 UBIQUINONE-8-atom24" order="1"/> <bond id="UBIQUINONE-8-bond33" atomRefs="UBIQUINONE-8-atom15 UBIQUINONE-8-atom38" order="2"/> <bond id="UBIQUINONE-8-bond34" atomRefs="UBIQUINONE-8-atom15 UBIQUINONE-8-atom23" order="1"/> <bond id="UBIQUINONE-8-bond35" atomRefs="UBIQUINONE-8-atom14 UBIQUINONE-8-atom37" order="2"/> <bond id="UBIQUINONE-8-bond36" atomRefs="UBIQUINONE-8-atom14 UBIQUINONE-8-atom22" order="1"/> <bond id="UBIQUINONE-8-bond37" atomRefs="UBIQUINONE-8-atom13 UBIQUINONE-8-atom36" order="2"/> <bond id="UBIQUINONE-8-bond38" atomRefs="UBIQUINONE-8-atom13 UBIQUINONE-8-atom21" order="1"/> <bond id="UBIQUINONE-8-bond39" atomRefs="UBIQUINONE-8-atom12 UBIQUINONE-8-atom35" order="2"/> <bond id="UBIQUINONE-8-bond40" atomRefs="UBIQUINONE-8-atom12 UBIQUINONE-8-atom20" order="1"/> <bond id="UBIQUINONE-8-bond41" atomRefs="UBIQUINONE-8-atom11 UBIQUINONE-8-atom46" order="2"/> <bond id="UBIQUINONE-8-bond42" atomRefs="UBIQUINONE-8-atom10 UBIQUINONE-8-atom45" order="2"/> <bond id="UBIQUINONE-8-bond43" atomRefs="UBIQUINONE-8-atom9 UBIQUINONE-8-atom42" order="1"/> <bond id="UBIQUINONE-8-bond44" atomRefs="UBIQUINONE-8-atom8 UBIQUINONE-8-atom41" order="1"/> <bond id="UBIQUINONE-8-bond45" atomRefs="UBIQUINONE-8-atom7 UBIQUINONE-8-atom40" order="1"/> <bond id="UBIQUINONE-8-bond46" atomRefs="UBIQUINONE-8-atom6 UBIQUINONE-8-atom39" order="1"/> <bond id="UBIQUINONE-8-bond47" atomRefs="UBIQUINONE-8-atom5 UBIQUINONE-8-atom38" order="1"/> <bond id="UBIQUINONE-8-bond48" atomRefs="UBIQUINONE-8-atom4 UBIQUINONE-8-atom37" order="1"/> <bond id="UBIQUINONE-8-bond49" atomRefs="UBIQUINONE-8-atom3 UBIQUINONE-8-atom36" order="1"/> <bond id="UBIQUINONE-8-bond50" atomRefs="UBIQUINONE-8-atom2 UBIQUINONE-8-atom35" order="1"/> <bond id="UBIQUINONE-8-bond51" atomRefs="UBIQUINONE-8-atom1 UBIQUINONE-8-atom35" order="1"/> <bond id="UBIQUINONE-8-bond52" atomRefs="UBIQUINONE-8-atom47 UBIQUINONE-8-atom48" order="1"/> <bond id="UBIQUINONE-8-bond53" atomRefs="UBIQUINONE-8-atom49 UBIQUINONE-8-atom52" order="1"/> </bondArray> <formula concise="H 74 O 4 C 49"/> <float title="molecularWeight" units="g/mol">727.121</float> <string title="smiles">CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(=C(C)C(=O)C(OC)=C(OC)C(=O)1)</string> </molecule> </cml>
biopax3:structureFormat	CML