Source:http://biocyc.org/biopax/biopax-level3ChemicalStructure168935
| Predicate | Object |
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| rdf:type | |
| biopax3:structureData |
<cml> <molecule id="P-CHLOROPHENYLALANINE" title="p-chlorophenylalanine" formalCharge="0" dictRef="dictP-CHLOROPHENYLALANINE"> <atomArray> <atom id="P-CHLOROPHENYLALANINE-atom1" elementType="C" x2="-18751.0" y2="-14019.0"/> <atom id="P-CHLOROPHENYLALANINE-atom2" elementType="CL" x2="-26810.0" y2="-14019.0"/> <atom id="P-CHLOROPHENYLALANINE-atom3" elementType="C" x2="-14456.0" y2="-6922.0"/> <atom id="P-CHLOROPHENYLALANINE-atom4" elementType="C" x2="19976.0" y2="-18751.0"/> <atom id="P-CHLOROPHENYLALANINE-atom5" elementType="N" x2="11740.0" y2="-5694.0" formalCharge="1"/> <atom id="P-CHLOROPHENYLALANINE-atom6" elementType="C" x2="4292.0" y2="-18223.0"/> <atom id="P-CHLOROPHENYLALANINE-atom7" elementType="C" x2="11740.0" y2="-13756.0"/> <atom id="P-CHLOROPHENYLALANINE-atom8" elementType="C" x2="-6397.0" y2="-21204.0"/> <atom id="P-CHLOROPHENYLALANINE-atom9" elementType="O" x2="26722.0" y2="-14456.0" formalCharge="-1"/> <atom id="P-CHLOROPHENYLALANINE-atom10" elementType="O" x2="19976.0" y2="-26810.0"/> <atom id="P-CHLOROPHENYLALANINE-atom11" elementType="C" x2="-14544.0" y2="-21204.0"/> <atom id="P-CHLOROPHENYLALANINE-atom12" elementType="C" x2="-6308.0" y2="-6922.0"/> <atom id="P-CHLOROPHENYLALANINE-atom13" elementType="C" x2="-2190.0" y2="-14019.0"/> </atomArray> <bondArray> <bond id="P-CHLOROPHENYLALANINE-bond1" atomRefs="P-CHLOROPHENYLALANINE-atom13 P-CHLOROPHENYLALANINE-atom6" order="1"/> <bond id="P-CHLOROPHENYLALANINE-bond2" atomRefs="P-CHLOROPHENYLALANINE-atom13 P-CHLOROPHENYLALANINE-atom12" order="2"/> <bond id="P-CHLOROPHENYLALANINE-bond3" atomRefs="P-CHLOROPHENYLALANINE-atom11 P-CHLOROPHENYLALANINE-atom8" order="2"/> <bond id="P-CHLOROPHENYLALANINE-bond4" atomRefs="P-CHLOROPHENYLALANINE-atom10 P-CHLOROPHENYLALANINE-atom4" order="2"/> <bond id="P-CHLOROPHENYLALANINE-bond5" atomRefs="P-CHLOROPHENYLALANINE-atom9 P-CHLOROPHENYLALANINE-atom4" order="1"/> <bond id="P-CHLOROPHENYLALANINE-bond6" atomRefs="P-CHLOROPHENYLALANINE-atom8 P-CHLOROPHENYLALANINE-atom13" order="1"/> <bond id="P-CHLOROPHENYLALANINE-bond7" atomRefs="P-CHLOROPHENYLALANINE-atom7 P-CHLOROPHENYLALANINE-atom4" order="1"/> <bond id="P-CHLOROPHENYLALANINE-bond8" atomRefs="P-CHLOROPHENYLALANINE-atom6 P-CHLOROPHENYLALANINE-atom7" order="1"/> <bond id="P-CHLOROPHENYLALANINE-bond9" atomRefs="P-CHLOROPHENYLALANINE-atom5 P-CHLOROPHENYLALANINE-atom7" order="1"/> <bond id="P-CHLOROPHENYLALANINE-bond10" atomRefs="P-CHLOROPHENYLALANINE-atom12 P-CHLOROPHENYLALANINE-atom3" order="1"/> <bond id="P-CHLOROPHENYLALANINE-bond11" atomRefs="P-CHLOROPHENYLALANINE-atom2 P-CHLOROPHENYLALANINE-atom1" order="1"/> <bond id="P-CHLOROPHENYLALANINE-bond12" atomRefs="P-CHLOROPHENYLALANINE-atom3 P-CHLOROPHENYLALANINE-atom1" order="2"/> <bond id="P-CHLOROPHENYLALANINE-bond13" atomRefs="P-CHLOROPHENYLALANINE-atom1 P-CHLOROPHENYLALANINE-atom11" order="1"/> </bondArray> <formula concise="H 10 O 2 N 1 CL 1 C 9"/> <float title="molecularWeight" units="g/mol">199.636</float> <string title="smiles">C1(C=CC(=CC=1)CC([N+])C([O-])=O)Cl</string> </molecule> </cml>
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| biopax3:structureFormat |
CML
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