CHEBI:86190 - 1-[(9Z)-octadecenoyl]-2-docosanoyl-sn-glycero-3-phosphocholine

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ChEBI Name 1-[(9Z)-octadecenoyl]-2-docosanoyl-sn-glycero-3-phosphocholine
ChEBI ID CHEBI:86190
ChEBI ASCII Name 1-[(9Z)-octadecenoyl]-2-docosanoyl-sn-glycero-3-phosphocholine
Definition A phosphatidylcholine 40:1 in which the acyl groups specified at positions 1 and 2 are (9Z)-octadecenoyl and docosanoyl 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/h21,26,46H,6-20,22-25,27-45H2,1-5H3/b26-21-/t46-/m1/s1
InChIKey VKFMYKGEBZVPJU-MLLRONJJSA-N
SMILES CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C
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-[(9Z)-octadecenoyl]-2-docosanoyl-sn-glycero-3-phosphocholine (CHEBI:86190) has functional parent docosanoic acid (CHEBI:28941)
1-[(9Z)-octadecenoyl]-2-docosanoyl-sn-glycero-3-phosphocholine (CHEBI:86190) has functional parent oleic acid (CHEBI:16196)
1-[(9Z)-octadecenoyl]-2-docosanoyl-sn-glycero-3-phosphocholine (CHEBI:86190) is a phosphatidylcholine 40:1 (CHEBI:66865)
IUPAC Name
(2R)-2-(docosanoyloxy)-3-{[(9Z)-octadec-9-enoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms Sources
1-Oleoyl-2-behenoyl-sn-glycero-3-phosphocholine HMDB
GPCho(18:1n9/22:0) HMDB
GPCho(18:1w9/22:0) HMDB
PC(18:1(9Z)/22:0) LIPID MAPS
PC(18:1n9/22:0) HMDB
PC(18:1w9/22:0) HMDB
Phosphatidylcholine(18:1n9/22:0) HMDB
Phosphatidylcholine(18:1w9/22:0) HMDB
Manual Xrefs Databases
HMDB0008117 HMDB
LMGP01010909 LIPID MAPS
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Last Modified
26 June 2015