CHEBI:86216 - 1-eicosanoyl-2-[(13Z)-docosenoyl]-sn-glycero-3-phosphocholine

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ChEBI Name 1-eicosanoyl-2-[(13Z)-docosenoyl]-sn-glycero-3-phosphocholine
ChEBI ID CHEBI:86216
ChEBI ASCII Name 1-eicosanoyl-2-[(13Z)-docosenoyl]-sn-glycero-3-phosphocholine
Definition A phosphatidylcholine 42:1 in which the acyl groups specified at positions 1 and 2 are eicosanoyl and (13Z)-docosenoyl respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C50H98NO8P
Net Charge 0
Average Mass 872.28880
Monoisotopic Mass 871.70301
InChI InChI=1S/C50H98NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h20,22,48H,6-19,21,23-47H2,1-5H3/b22-20-/t48-/m1/s1
InChIKey QXFAPNLFOQKMLO-RURDTVAGSA-N
SMILES CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via phosphatidylcholine 42:1 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1-eicosanoyl-2-[(13Z)-docosenoyl]-sn-glycero-3-phosphocholine (CHEBI:86216) has functional parent erucic acid (CHEBI:28792)
1-eicosanoyl-2-[(13Z)-docosenoyl]-sn-glycero-3-phosphocholine (CHEBI:86216) has functional parent icosanoic acid (CHEBI:28822)
1-eicosanoyl-2-[(13Z)-docosenoyl]-sn-glycero-3-phosphocholine (CHEBI:86216) is a phosphatidylcholine 42:1 (CHEBI:66970)
IUPAC Name
(2R)-2-{[(13Z)-docos-13-enoyl]oxy}-3-(icosanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms Sources
1-Arachidonyl-2-erucoyl-sn-glycero-3-phosphocholine HMDB
GPCho(20:0/22:1n9) HMDB
GPCho(20:0/22:1w9) HMDB
PC(20:0/22:1(13Z)) LIPID MAPS
PC(20:0/22:1n9) HMDB
PC(20:0/22:1w9) HMDB
Phosphatidylcholine(20:0/22:1n9) HMDB
Phosphatidylcholine(20:0/22:1w9) HMDB
Manual Xrefs Databases
HMDB0008283 HMDB
LMGP01011026 LIPID MAPS
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Last Modified
23 October 2015