Source:http://biocyc.org/biopax/biopax-level3ChemicalStructure174363
| Predicate | Object |
|---|---|
| rdf:type | |
| biopax3:structureData |
<cml> <molecule id="2R-HYDROXY-FATTY-ACIDS" title="a 2(R)-hydroxy fatty acid" formalCharge="-1" dictRef="dict2R-HYDROXY-FATTY-ACIDS"> <atomArray> <atom id="2R-HYDROXY-FATTY-ACIDS-atom1" elementType="C" x2="-2950.0" y2="-1366.0"/> <atom id="2R-HYDROXY-FATTY-ACIDS-atom2" elementType="O" x2="3715.0" y2="11198.0"/> <atom id="2R-HYDROXY-FATTY-ACIDS-atom3" elementType="O" x2="-11254.0" y2="3497.0" formalCharge="-1"/> <atom id="2R-HYDROXY-FATTY-ACIDS-atom4" elementType="O" x2="-2950.0" y2="-11254.0"/> <atom id="2R-HYDROXY-FATTY-ACIDS-atom5" elementType="C" x2="11199.0" y2="-1366.0"/> <atom id="2R-HYDROXY-FATTY-ACIDS-atom6" elementType="C" x2="3715.0" y2="3497.0"/> <atom id="2R-HYDROXY-FATTY-ACIDS-atom7" elementType="C" x2="18343.0" y2="2759.0"/> <atom id="2R-HYDROXY-FATTY-ACIDS-atom8" elementType="R" x2="25488.0" y2="-1366.0"/> </atomArray> <bondArray> <bond id="2R-HYDROXY-FATTY-ACIDS-bond1" atomRefs="2R-HYDROXY-FATTY-ACIDS-atom6 2R-HYDROXY-FATTY-ACIDS-atom2" order="1"/> <bond id="2R-HYDROXY-FATTY-ACIDS-bond2" atomRefs="2R-HYDROXY-FATTY-ACIDS-atom6 2R-HYDROXY-FATTY-ACIDS-atom5" order="1"/> <bond id="2R-HYDROXY-FATTY-ACIDS-bond3" atomRefs="2R-HYDROXY-FATTY-ACIDS-atom4 2R-HYDROXY-FATTY-ACIDS-atom1" order="2"/> <bond id="2R-HYDROXY-FATTY-ACIDS-bond4" atomRefs="2R-HYDROXY-FATTY-ACIDS-atom3 2R-HYDROXY-FATTY-ACIDS-atom1" order="1"/> <bond id="2R-HYDROXY-FATTY-ACIDS-bond5" atomRefs="2R-HYDROXY-FATTY-ACIDS-atom1 2R-HYDROXY-FATTY-ACIDS-atom6" order="1"/> <bond id="2R-HYDROXY-FATTY-ACIDS-bond6" atomRefs="2R-HYDROXY-FATTY-ACIDS-atom5 2R-HYDROXY-FATTY-ACIDS-atom7" order="1"/> <bond id="2R-HYDROXY-FATTY-ACIDS-bond7" atomRefs="2R-HYDROXY-FATTY-ACIDS-atom7 2R-HYDROXY-FATTY-ACIDS-atom8" order="1"/> </bondArray> <formula concise=""/> <string title="smiles">C([R])CC(C([O-])=O)O</string> </molecule> </cml>
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| biopax3:structureFormat |
CML
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