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

ChEBI IDCHEBI:86196
ChEBI Name1-octadecanoyl-2-[(13Z)-docosenoyl]-sn-glycero-3-phosphocholine
Stars
ASCII Name1-octadecanoyl-2-[(13Z)-docosenoyl]-sn-glycero-3-phosphocholine
DefinitionA phosphatidylcholine 40:1 in which the acyl groups specified at positions 1 and 2 are octadecanoyl and (13Z)-docosenoyl respectively.
Last Modified29 June 2015
Submitternamrata
DownloadsMolfile
FormulaC48H94NO8P
Net Charge0
Average Mass844.253
Monoisotopic Mass843.67171
SMILESCCCCCCCC/C=C\CCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=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
InChIKeyPQUQBWAOWNGATH-USIWBXHFSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
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  Source
GPCho(18:0/22:1w9)HMDB
PC(18:0/22:1n9)HMDB
PC(18:0/22:1w9)HMDB
PC(18:0/22:1(13Z))LIPID MAPS
Phosphatidylcholine(18:0/22:1w9)HMDB
GPCho(18:0/22:1n9)HMDB
Manual XrefsDatabases
LMGP01010811LIPID MAPS
HMDB0008052HMDB