CHEBI:196671 - PC(17:2(9Z,12Z)/13:0)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name PC(17:2(9Z,12Z)/13:0)
ChEBI ID CHEBI:196671
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C38H72NO8P
Net Charge 0
Average Mass 701.967
Monoisotopic Mass 701.49956
InChI InChI=1S/C38H72NO8P/c1-6-8-10-12-14-16-18-19-20-21-23-24-26-28-30-37(40)44-34-36(35-46-48(42,43)45-33-32-39(3,4)5)47-38(41)31-29-27-25-22-17-15-13-11-9-7-2/h12,14,18-19,36H,6-11,13,15-17,20-35H2,1-5H3/b14-12-,19-18-/t36-/m1/s1
InChIKey XTJRWWDMKMCQBR-LRJQWVAUSA-N
SMILES P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCC)([O-])=O
ChEBI Ontology
Outgoing PC(17:2(9Z,12Z)/13:0) (CHEBI:196671) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name
[(2R)-3-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-2-tridecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual Xrefs Databases
113375022 ChemSpider
LMGP01011552 LIPID MAPS
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