Source:http://biocyc.org/biopax/biopax-level3ChemicalStructure166062
| Predicate | Object |
|---|---|
| rdf:type | |
| biopax3:structureData |
<cml> <molecule id="CADAVERINE" title="cadaverine" formalCharge="2" dictRef="dictCADAVERINE"> <atomArray> <atom id="CADAVERINE-atom1" elementType="N" x2="-214230.0" y2="-213520.0" formalCharge="1"/> <atom id="CADAVERINE-atom2" elementType="C" x2="69530.0" y2="-213520.0"/> <atom id="CADAVERINE-atom3" elementType="C" x2="-143640.0" y2="-171170.0"/> <atom id="CADAVERINE-atom4" elementType="N" x2="213520.0" y2="-214230.0" formalCharge="1"/> <atom id="CADAVERINE-atom5" elementType="C" x2="-1060.0" y2="-171170.0"/> <atom id="CADAVERINE-atom6" elementType="C" x2="142940.0" y2="-171170.0"/> <atom id="CADAVERINE-atom7" elementType="C" x2="-71640.0" y2="-213520.0"/> </atomArray> <bondArray> <bond id="CADAVERINE-bond1" atomRefs="CADAVERINE-atom7 CADAVERINE-atom3" order="1"/> <bond id="CADAVERINE-bond2" atomRefs="CADAVERINE-atom6 CADAVERINE-atom2" order="1"/> <bond id="CADAVERINE-bond3" atomRefs="CADAVERINE-atom5 CADAVERINE-atom7" order="1"/> <bond id="CADAVERINE-bond4" atomRefs="CADAVERINE-atom4 CADAVERINE-atom6" order="1"/> <bond id="CADAVERINE-bond5" atomRefs="CADAVERINE-atom3 CADAVERINE-atom1" order="1"/> <bond id="CADAVERINE-bond6" atomRefs="CADAVERINE-atom2 CADAVERINE-atom5" order="1"/> </bondArray> <formula concise="H 16 C 5 N 2"/> <float title="molecularWeight" units="g/mol">104.195</float> <string title="smiles">C([N+])CCCC[N+]</string> </molecule> </cml>
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| biopax3:structureFormat |
CML
|