Source:http://biocyc.org/biopax/biopax-level3ChemicalStructure174650
| Predicate | Object |
|---|---|
| rdf:type | |
| biopax3:structureData |
<cml> <molecule id="DEOXYINOSINE" title="deoxyinosine" formalCharge="0" dictRef="dictDEOXYINOSINE"> <atomArray> <atom id="DEOXYINOSINE-atom1" elementType="O" x2="-8153.0" y2="-8740.0"/> <atom id="DEOXYINOSINE-atom2" elementType="N" x2="-1376.0" y2="17974.0"/> <atom id="DEOXYINOSINE-atom3" elementType="C" x2="-15225.0" y2="19053.0"/> <atom id="DEOXYINOSINE-atom4" elementType="N" x2="-1573.0" y2="2946.0"/> <atom id="DEOXYINOSINE-atom5" elementType="C" x2="-1573.0" y2="-13750.0"/> <atom id="DEOXYINOSINE-atom6" elementType="C" x2="-17680.0" y2="-4224.0"/> <atom id="DEOXYINOSINE-atom7" elementType="C" x2="-8544.0" y2="7170.0"/> <atom id="DEOXYINOSINE-atom8" elementType="O" x2="-15225.0" y2="27206.0"/> <atom id="DEOXYINOSINE-atom9" elementType="C" x2="-3831.0" y2="-22294.0"/> <atom id="DEOXYINOSINE-atom10" elementType="N" x2="-15323.0" y2="2946.0"/> <atom id="DEOXYINOSINE-atom11" elementType="C" x2="-14930.0" y2="-13554.0"/> <atom id="DEOXYINOSINE-atom12" elementType="O" x2="-12374.0" y2="-27304.0"/> <atom id="DEOXYINOSINE-atom13" elementType="N" x2="-22196.0" y2="15323.0"/> <atom id="DEOXYINOSINE-atom14" elementType="C" x2="-8544.0" y2="15028.0"/> <atom id="DEOXYINOSINE-atom15" elementType="C" x2="-22196.0" y2="7072.0"/> <atom id="DEOXYINOSINE-atom16" elementType="O" x2="-25928.0" y2="-4224.0"/> <atom id="DEOXYINOSINE-atom17" elementType="C" x2="-12374.0" y2="-22294.0"/> <atom id="DEOXYINOSINE-atom18" elementType="C" x2="4126.0" y2="10215.0"/> </atomArray> <bondArray> <bond id="DEOXYINOSINE-bond1" atomRefs="DEOXYINOSINE-atom18 DEOXYINOSINE-atom2" order="2"/> <bond id="DEOXYINOSINE-bond2" atomRefs="DEOXYINOSINE-atom17 DEOXYINOSINE-atom9" order="1"/> <bond id="DEOXYINOSINE-bond3" atomRefs="DEOXYINOSINE-atom16 DEOXYINOSINE-atom6" order="1"/> <bond id="DEOXYINOSINE-bond4" atomRefs="DEOXYINOSINE-atom15 DEOXYINOSINE-atom10" order="2"/> <bond id="DEOXYINOSINE-bond5" atomRefs="DEOXYINOSINE-atom14 DEOXYINOSINE-atom3" order="1"/> <bond id="DEOXYINOSINE-bond6" atomRefs="DEOXYINOSINE-atom14 DEOXYINOSINE-atom7" order="2"/> <bond id="DEOXYINOSINE-bond7" atomRefs="DEOXYINOSINE-atom13 DEOXYINOSINE-atom15" order="1"/> <bond id="DEOXYINOSINE-bond8" atomRefs="DEOXYINOSINE-atom12 DEOXYINOSINE-atom17" order="1"/> <bond id="DEOXYINOSINE-bond9" atomRefs="DEOXYINOSINE-atom11 DEOXYINOSINE-atom1" order="1"/> <bond id="DEOXYINOSINE-bond10" atomRefs="DEOXYINOSINE-atom11 DEOXYINOSINE-atom17" order="1"/> <bond id="DEOXYINOSINE-bond11" atomRefs="DEOXYINOSINE-atom10 DEOXYINOSINE-atom7" order="1"/> <bond id="DEOXYINOSINE-bond12" atomRefs="DEOXYINOSINE-atom8 DEOXYINOSINE-atom3" order="2"/> <bond id="DEOXYINOSINE-bond13" atomRefs="DEOXYINOSINE-atom7 DEOXYINOSINE-atom4" order="1"/> <bond id="DEOXYINOSINE-bond14" atomRefs="DEOXYINOSINE-atom6 DEOXYINOSINE-atom11" order="1"/> <bond id="DEOXYINOSINE-bond15" atomRefs="DEOXYINOSINE-atom5 DEOXYINOSINE-atom4" order="1"/> <bond id="DEOXYINOSINE-bond16" atomRefs="DEOXYINOSINE-atom5 DEOXYINOSINE-atom9" order="1"/> <bond id="DEOXYINOSINE-bond17" atomRefs="DEOXYINOSINE-atom4 DEOXYINOSINE-atom18" order="1"/> <bond id="DEOXYINOSINE-bond18" atomRefs="DEOXYINOSINE-atom3 DEOXYINOSINE-atom13" order="1"/> <bond id="DEOXYINOSINE-bond19" atomRefs="DEOXYINOSINE-atom2 DEOXYINOSINE-atom14" order="1"/> <bond id="DEOXYINOSINE-bond20" atomRefs="DEOXYINOSINE-atom1 DEOXYINOSINE-atom5" order="1"/> </bondArray> <formula concise="H 12 C 10 N 4 O 4"/> <float title="molecularWeight" units="g/mol">252.229</float> <string title="smiles">C2(NC(=O)C3(N=CN(C1(OC(CO)C(O)C1))C(N=2)=3))</string> </molecule> </cml>
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| biopax3:structureFormat |
CML
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