Source:http://biocyc.org/biopax/biopax-level3ChemicalStructure141315
| Predicate | Object |
|---|---|
| rdf:type | |
| biopax3:structureData |
<cml> <molecule id="Phytoceramides" title="a phytoceramide" formalCharge="0"> <atomArray> <atom id="Phytoceramides-atom1" elementType="C" x2="-2564.0" y2="-615385.0"/> <atom id="Phytoceramides-atom2" elementType="N" x2="774359.0" y2="-807692.0"/> <atom id="Phytoceramides-atom3" elementType="C" x2="220513.0" y2="-615385.0"/> <atom id="Phytoceramides-atom4" elementType="O" x2="887180.0" y2="-1000000.0"/> <atom id="Phytoceramides-atom5" elementType="C" x2="441026.0" y2="-615385.0"/> <atom id="Phytoceramides-atom6" elementType="O" x2="664103.0" y2="-487179.0"/> <atom id="Phytoceramides-atom7" elementType="C" x2="664103.0" y2="-615385.0"/> <atom id="Phytoceramides-atom8" elementType="C" x2="887180.0" y2="-615385.0"/> <atom id="Phytoceramides-atom9" elementType="C" x2="-1000000.0" y2="-679487.0"/> <atom id="Phytoceramides-atom10" elementType="C" x2="-889744.0" y2="-615385.0"/> <atom id="Phytoceramides-atom11" elementType="C" x2="-779487.0" y2="-679487.0"/> <atom id="Phytoceramides-atom12" elementType="C" x2="-669231.0" y2="-615385.0"/> <atom id="Phytoceramides-atom13" elementType="C" x2="-556410.0" y2="-679487.0"/> <atom id="Phytoceramides-atom14" elementType="C" x2="-446154.0" y2="-615385.0"/> <atom id="Phytoceramides-atom15" elementType="C" x2="-335897.0" y2="-679487.0"/> <atom id="Phytoceramides-atom16" elementType="C" x2="-223077.0" y2="-615385.0"/> <atom id="Phytoceramides-atom17" elementType="C" x2="-112821.0" y2="-679487.0"/> <atom id="Phytoceramides-atom18" elementType="O" x2="553846.0" y2="-787179.0"/> <atom id="Phytoceramides-atom19" elementType="C" x2="107692.0" y2="-679487.0"/> <atom id="Phytoceramides-atom20" elementType="C" x2="887180.0" y2="-871795.0"/> <atom id="Phytoceramides-atom21" elementType="C" x2="330769.0" y2="-679487.0"/> <atom id="Phytoceramides-atom22" elementType="R" x2="997436.0" y2="-807692.0"/> <atom id="Phytoceramides-atom23" elementType="C" x2="553846.0" y2="-679487.0"/> <atom id="Phytoceramides-atom24" elementType="C" x2="774359.0" y2="-679487.0"/> <atom id="Phytoceramides-atom25" elementType="O" x2="997436.0" y2="-679487.0"/> </atomArray> <bondArray> <bond id="Phytoceramides-bond1" atomRefs="Phytoceramides-atom24 Phytoceramides-atom8" order="1"/> <bond id="Phytoceramides-bond2" atomRefs="Phytoceramides-atom24 Phytoceramides-atom2" order="1"/> <bond id="Phytoceramides-bond3" atomRefs="Phytoceramides-atom23 Phytoceramides-atom18" order="1"/> <bond id="Phytoceramides-bond4" atomRefs="Phytoceramides-atom23 Phytoceramides-atom7" order="1"/> <bond id="Phytoceramides-bond5" atomRefs="Phytoceramides-atom21 Phytoceramides-atom5" order="1"/> <bond id="Phytoceramides-bond6" atomRefs="Phytoceramides-atom20 Phytoceramides-atom4" order="2"/> <bond id="Phytoceramides-bond7" atomRefs="Phytoceramides-atom20 Phytoceramides-atom22" order="1"/> <bond id="Phytoceramides-bond8" atomRefs="Phytoceramides-atom19 Phytoceramides-atom3" order="1"/> <bond id="Phytoceramides-bond9" atomRefs="Phytoceramides-atom17 Phytoceramides-atom1" order="1"/> <bond id="Phytoceramides-bond10" atomRefs="Phytoceramides-atom16 Phytoceramides-atom17" order="1"/> <bond id="Phytoceramides-bond11" atomRefs="Phytoceramides-atom15 Phytoceramides-atom16" order="1"/> <bond id="Phytoceramides-bond12" atomRefs="Phytoceramides-atom14 Phytoceramides-atom15" order="1"/> <bond id="Phytoceramides-bond13" atomRefs="Phytoceramides-atom13 Phytoceramides-atom14" order="1"/> <bond id="Phytoceramides-bond14" atomRefs="Phytoceramides-atom12 Phytoceramides-atom13" order="1"/> <bond id="Phytoceramides-bond15" atomRefs="Phytoceramides-atom11 Phytoceramides-atom12" order="1"/> <bond id="Phytoceramides-bond16" atomRefs="Phytoceramides-atom10 Phytoceramides-atom11" order="1"/> <bond id="Phytoceramides-bond17" atomRefs="Phytoceramides-atom9 Phytoceramides-atom10" order="1"/> <bond id="Phytoceramides-bond18" atomRefs="Phytoceramides-atom8 Phytoceramides-atom25" order="1"/> <bond id="Phytoceramides-bond19" atomRefs="Phytoceramides-atom7 Phytoceramides-atom24" order="1"/> <bond id="Phytoceramides-bond20" atomRefs="Phytoceramides-atom7 Phytoceramides-atom6" order="1"/> <bond id="Phytoceramides-bond21" atomRefs="Phytoceramides-atom5 Phytoceramides-atom23" order="1"/> <bond id="Phytoceramides-bond22" atomRefs="Phytoceramides-atom3 Phytoceramides-atom21" order="1"/> <bond id="Phytoceramides-bond23" atomRefs="Phytoceramides-atom2 Phytoceramides-atom20" order="1"/> <bond id="Phytoceramides-bond24" atomRefs="Phytoceramides-atom1 Phytoceramides-atom19" order="1"/> </bondArray> <formula concise=""/> <string title="smiles">C(O)C(C(O)C(CCCCCCCCCCCCCC)O)NC([R])=O</string> </molecule> </cml>
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| biopax3:structureFormat |
CML
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