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CHEBI:86232 - 1-[(1Z)-hexadecenyl]-2-[(9Z)-octadecenoyl]-sn-glycero-3-phosphocholine

Default Structure
ChEBI IDCHEBI:86232
ChEBI Name1-[(1Z)-hexadecenyl]-2-[(9Z)-octadecenoyl]-sn-glycero-3-phosphocholine
Stars
ASCII Name1-[(1Z)-hexadecenyl]-2-[(9Z)-octadecenoyl]-sn-glycero-3-phosphocholine
DefinitionA 1-(Z)-alk-1-enyl-2-oleoyl-sn-glycero-3-phosphocholine in which the alkenyl group specified is (1Z)-hexadecenyl.
Last Modified25 March 2021
Submitternamrata
DownloadsMolfile
FormulaC42H82NO7P
Net Charge0
Average Mass744.092
Monoisotopic Mass743.58289
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](CO/C=C\CCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C42H82NO7P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-42(44)50-41(40-49-51(45,46)48-38-36-43(3,4)5)39-47-37-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h20,22,34,37,41H,6-19,21,23-33,35-36,38-40H2,1-5H3/b22-20-,37-34-/t41-/m1/s1
InChIKeyCRBBMHQTIAELIS-KQBBALDBSA-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-[(1Z)-hexadecenyl]-2-[(9Z)-octadecenoyl]-sn-glycero-3-phosphocholine (CHEBI:86232) has role metabolite (CHEBI:25212)
1-[(1Z)-hexadecenyl]-2-[(9Z)-octadecenoyl]-sn-glycero-3-phosphocholine (CHEBI:86232) is a 1-(Z)-alk-1-enyl-2-oleoyl-sn-glycero-3-phosphocholine (CHEBI:77294)
IUPAC Name 
(2R)-3-{[(1Z)-hexadec-1-en-1-yl]oxy}-2-{[(9Z)-octadec-9-enoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonym  Source
PC(P-16:0/18:1(9Z))LIPID MAPS
UniProt Name  Source
1-O-(1Z-hexadecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholineUniProt
Manual XrefsDatabases
HMDB0011210HMDB
LMGP01030006LIPID MAPS