CHEBI:86196 - 1-octadecanoyl-2-[(13Z)-docosenoyl]-sn-glycero-3-phosphocholine

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ChEBI Name 1-octadecanoyl-2-[(13Z)-docosenoyl]-sn-glycero-3-phosphocholine
ChEBI ID CHEBI:86196
ChEBI ASCII Name 1-octadecanoyl-2-[(13Z)-docosenoyl]-sn-glycero-3-phosphocholine
Definition A phosphatidylcholine 40:1 in which the acyl groups specified at positions 1 and 2 are octadecanoyl and (13Z)-docosenoyl respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C48H94NO8P
Net Charge 0
Average Mass 844.23560
Monoisotopic Mass 843.67171
InChI InChI=1S/C48H94NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h20,22,46H,6-19,21,23-45H2,1-5H3/b22-20-/t46-/m1/s1
InChIKey PQUQBWAOWNGATH-USIWBXHFSA-N
SMILES CCCCCCCCCCCCCCCCCC(=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 40:1 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1-octadecanoyl-2-[(13Z)-docosenoyl]-sn-glycero-3-phosphocholine (CHEBI:86196) has functional parent erucic acid (CHEBI:28792)
1-octadecanoyl-2-[(13Z)-docosenoyl]-sn-glycero-3-phosphocholine (CHEBI:86196) has functional parent octadecanoic acid (CHEBI:28842)
1-octadecanoyl-2-[(13Z)-docosenoyl]-sn-glycero-3-phosphocholine (CHEBI:86196) is a phosphatidylcholine 40:1 (CHEBI:66865)
IUPAC Name
(2R)-2-{[(13Z)-docos-13-enoyl]oxy}-3-(octadecanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms Sources
1-Stearoyl-2-erucoyl-sn-glycero-3-phosphocholine HMDB
GPCho(18:0/22:1n9) HMDB
GPCho(18:0/22:1w9) HMDB
PC(18:0/22:1(13Z)) LIPID MAPS
PC(18:0/22:1n9) HMDB
PC(18:0/22:1w9) HMDB
Phosphatidylcholine(18:0/22:1n9) HMDB
Phosphatidylcholine(18:0/22:1w9) HMDB
Manual Xrefs Databases
HMDB0008052 HMDB
LMGP01010811 LIPID MAPS
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Last Modified
29 June 2015