Source:http://biocyc.org/biopax/biopax-level3ChemicalStructure156450
| Predicate | Object |
|---|---|
| rdf:type | |
| biopax3:structureData |
<cml> <molecule id="DEOXYADENOSINE" title="deoxyadenosine" formalCharge="0" dictRef="dictDEOXYADENOSINE"> <atomArray> <atom id="DEOXYADENOSINE-atom1" elementType="O" x2="27825.0" y2="8855.0"/> <atom id="DEOXYADENOSINE-atom2" elementType="C" x2="9583.0" y2="-2235.0"/> <atom id="DEOXYADENOSINE-atom3" elementType="C" x2="-2000.0" y2="-12443.0"/> <atom id="DEOXYADENOSINE-atom4" elementType="C" x2="20080.0" y2="6012.0"/> <atom id="DEOXYADENOSINE-atom5" elementType="C" x2="10695.0" y2="-16568.0"/> <atom id="DEOXYADENOSINE-atom6" elementType="N" x2="5846.0" y2="-9894.0"/> <atom id="DEOXYADENOSINE-atom7" elementType="O" x2="6741.0" y2="5510.0"/> <atom id="DEOXYADENOSINE-atom8" elementType="N" x2="-16289.0" y2="-20693.0"/> <atom id="DEOXYADENOSINE-atom9" elementType="C" x2="13228.0" y2="10607.0"/> <atom id="DEOXYADENOSINE-atom10" elementType="C" x2="-9145.0" y2="-24818.0"/> <atom id="DEOXYADENOSINE-atom11" elementType="N" x2="5846.0" y2="-23242.0"/> <atom id="DEOXYADENOSINE-atom12" elementType="N" x2="-9145.0" y2="-8318.0"/> <atom id="DEOXYADENOSINE-atom13" elementType="O" x2="5623.0" y2="22704.0"/> <atom id="DEOXYADENOSINE-atom14" elementType="C" x2="-16289.0" y2="-12443.0"/> <atom id="DEOXYADENOSINE-atom15" elementType="N" x2="-9145.0" y2="-33068.0"/> <atom id="DEOXYADENOSINE-atom16" elementType="C" x2="-2000.0" y2="-20693.0"/> <atom id="DEOXYADENOSINE-atom17" elementType="C" x2="17827.0" y2="-1925.0"/> <atom id="DEOXYADENOSINE-atom18" elementType="C" x2="12918.0" y2="18851.0"/> </atomArray> <bondArray> <bond id="DEOXYADENOSINE-bond1" atomRefs="DEOXYADENOSINE-atom9 DEOXYADENOSINE-atom18" order="1"/> <bond id="DEOXYADENOSINE-bond2" atomRefs="DEOXYADENOSINE-atom16 DEOXYADENOSINE-atom3" order="1"/> <bond id="DEOXYADENOSINE-bond3" atomRefs="DEOXYADENOSINE-atom11 DEOXYADENOSINE-atom16" order="1"/> <bond id="DEOXYADENOSINE-bond4" atomRefs="DEOXYADENOSINE-atom15 DEOXYADENOSINE-atom10" order="1"/> <bond id="DEOXYADENOSINE-bond5" atomRefs="DEOXYADENOSINE-atom14 DEOXYADENOSINE-atom12" order="1"/> <bond id="DEOXYADENOSINE-bond6" atomRefs="DEOXYADENOSINE-atom13 DEOXYADENOSINE-atom18" order="1"/> <bond id="DEOXYADENOSINE-bond7" atomRefs="DEOXYADENOSINE-atom12 DEOXYADENOSINE-atom3" order="2"/> <bond id="DEOXYADENOSINE-bond8" atomRefs="DEOXYADENOSINE-atom5 DEOXYADENOSINE-atom11" order="2"/> <bond id="DEOXYADENOSINE-bond9" atomRefs="DEOXYADENOSINE-atom16 DEOXYADENOSINE-atom10" order="2"/> <bond id="DEOXYADENOSINE-bond10" atomRefs="DEOXYADENOSINE-atom9 DEOXYADENOSINE-atom7" order="1"/> <bond id="DEOXYADENOSINE-bond11" atomRefs="DEOXYADENOSINE-atom9 DEOXYADENOSINE-atom4" order="1"/> <bond id="DEOXYADENOSINE-bond12" atomRefs="DEOXYADENOSINE-atom8 DEOXYADENOSINE-atom14" order="2"/> <bond id="DEOXYADENOSINE-bond13" atomRefs="DEOXYADENOSINE-atom10 DEOXYADENOSINE-atom8" order="1"/> <bond id="DEOXYADENOSINE-bond14" atomRefs="DEOXYADENOSINE-atom7 DEOXYADENOSINE-atom2" order="1"/> <bond id="DEOXYADENOSINE-bond15" atomRefs="DEOXYADENOSINE-atom6 DEOXYADENOSINE-atom5" order="1"/> <bond id="DEOXYADENOSINE-bond16" atomRefs="DEOXYADENOSINE-atom4 DEOXYADENOSINE-atom17" order="1"/> <bond id="DEOXYADENOSINE-bond17" atomRefs="DEOXYADENOSINE-atom3 DEOXYADENOSINE-atom6" order="1"/> <bond id="DEOXYADENOSINE-bond18" atomRefs="DEOXYADENOSINE-atom2 DEOXYADENOSINE-atom6" order="1"/> <bond id="DEOXYADENOSINE-bond19" atomRefs="DEOXYADENOSINE-atom2 DEOXYADENOSINE-atom17" order="1"/> <bond id="DEOXYADENOSINE-bond20" atomRefs="DEOXYADENOSINE-atom4 DEOXYADENOSINE-atom1" order="1"/> </bondArray> <formula concise="H 13 N 5 C 10 O 3"/> <float title="molecularWeight" units="g/mol">251.244</float> <string title="smiles">C2(N(C1(CC(O)C(O1)CO))C3(=NC=NC(=C(N=2)3)N))</string> </molecule> </cml>
|
| biopax3:structureFormat |
CML
|