Source:http://biocyc.org/biopax/biopax-level3ChemicalStructure140590
| Predicate | Object |
|---|---|
| rdf:type | |
| biopax3:structureData |
<cml> <molecule id="INOSINE" title="inosine" formalCharge="0" dictRef="dictINOSINE"> <atomArray> <atom id="INOSINE-atom1" elementType="O" x2="347680.0" y2="-495190.0"/> <atom id="INOSINE-atom2" elementType="O" x2="281570.0" y2="0.0"/> <atom id="INOSINE-atom3" elementType="O" x2="460410.0" y2="-770.0"/> <atom id="INOSINE-atom4" elementType="C" x2="276910.0" y2="-289330.0"/> <atom id="INOSINE-atom5" elementType="C" x2="546760.0" y2="-330340.0"/> <atom id="INOSINE-atom6" elementType="C" x2="225380.0" y2="-169510.0"/> <atom id="INOSINE-atom7" elementType="N" x2="498710.0" y2="-397710.0"/> <atom id="INOSINE-atom8" elementType="N" x2="347910.0" y2="-247420.0"/> <atom id="INOSINE-atom9" elementType="O" x2="164290.0" y2="-133360.0"/> <atom id="INOSINE-atom10" elementType="O" x2="369330.0" y2="-193200.0"/> <atom id="INOSINE-atom11" elementType="C" x2="347910.0" y2="-413210.0"/> <atom id="INOSINE-atom12" elementType="C" x2="419820.0" y2="-372220.0"/> <atom id="INOSINE-atom13" elementType="C" x2="419820.0" y2="-289330.0"/> <atom id="INOSINE-atom14" elementType="C" x2="328620.0" y2="-67150.0"/> <atom id="INOSINE-atom15" elementType="C" x2="411840.0" y2="-67150.0"/> <atom id="INOSINE-atom16" elementType="C" x2="302600.0" y2="-145380.0"/> <atom id="INOSINE-atom17" elementType="C" x2="436670.0" y2="-143720.0"/> <atom id="INOSINE-atom18" elementType="N" x2="276910.0" y2="-372220.0"/> <atom id="INOSINE-atom19" elementType="N" x2="498480.0" y2="-264300.0"/> </atomArray> <bondArray> <bond id="INOSINE-bond1" atomRefs="INOSINE-atom17 INOSINE-atom19" order="1"/> <bond id="INOSINE-bond2" atomRefs="INOSINE-atom15 INOSINE-atom17" order="1"/> <bond id="INOSINE-bond3" atomRefs="INOSINE-atom14 INOSINE-atom16" order="1"/> <bond id="INOSINE-bond4" atomRefs="INOSINE-atom14 INOSINE-atom15" order="1"/> <bond id="INOSINE-bond5" atomRefs="INOSINE-atom13 INOSINE-atom19" order="1"/> <bond id="INOSINE-bond6" atomRefs="INOSINE-atom12 INOSINE-atom13" order="2"/> <bond id="INOSINE-bond7" atomRefs="INOSINE-atom18 INOSINE-atom11" order="1"/> <bond id="INOSINE-bond8" atomRefs="INOSINE-atom11 INOSINE-atom12" order="1"/> <bond id="INOSINE-bond9" atomRefs="INOSINE-atom10 INOSINE-atom17" order="1"/> <bond id="INOSINE-bond10" atomRefs="INOSINE-atom10 INOSINE-atom16" order="1"/> <bond id="INOSINE-bond11" atomRefs="INOSINE-atom13 INOSINE-atom8" order="1"/> <bond id="INOSINE-bond12" atomRefs="INOSINE-atom7 INOSINE-atom12" order="1"/> <bond id="INOSINE-bond13" atomRefs="INOSINE-atom16 INOSINE-atom6" order="1"/> <bond id="INOSINE-bond14" atomRefs="INOSINE-atom6 INOSINE-atom9" order="1"/> <bond id="INOSINE-bond15" atomRefs="INOSINE-atom19 INOSINE-atom5" order="1"/> <bond id="INOSINE-bond16" atomRefs="INOSINE-atom5 INOSINE-atom7" order="2"/> <bond id="INOSINE-bond17" atomRefs="INOSINE-atom4 INOSINE-atom18" order="1"/> <bond id="INOSINE-bond18" atomRefs="INOSINE-atom8 INOSINE-atom4" order="2"/> <bond id="INOSINE-bond19" atomRefs="INOSINE-atom15 INOSINE-atom3" order="1"/> <bond id="INOSINE-bond20" atomRefs="INOSINE-atom14 INOSINE-atom2" order="1"/> <bond id="INOSINE-bond21" atomRefs="INOSINE-atom1 INOSINE-atom11" order="2"/> </bondArray> <formula concise="H 12 N 4 C 10 O 5"/> <float title="molecularWeight" units="g/mol">268.229</float> <string title="smiles">C3(=NC1(=C(N=CN1C2(OC(CO)C(O)C(O)2))C(=O)N3))</string> </molecule> </cml>
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| biopax3:structureFormat |
CML
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