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CHEBI:86443 - 1-octadecyl-2-[(11Z)-docosenoyl]-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:86443
ChEBI Name1-octadecyl-2-[(11Z)-docosenoyl]-sn-glycero-3-phosphocholine
Stars
ASCII Name1-octadecyl-2-[(11Z)-docosenoyl]-sn-glycero-3-phosphocholine
DefinitionA phosphatidylcholine O-40:1 in which the alkyl and acyl groups at positions 1 and 2 are octadecyl and (11Z)-docosenoyl respectively.
Last Modified13 July 2015
Submitternamrata
DownloadsMolfile
FormulaC48H96NO7P
Net Charge0
Average Mass830.270
Monoisotopic Mass829.69244
SMILESCCCCCCCCCC/C=C\CCCCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C48H96NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)56-47(46-55-57(51,52)54-44-42-49(3,4)5)45-53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h24-25,47H,6-23,26-46H2,1-5H3/b25-24-/t47-/m1/s1
InChIKeyCINFSHUMMMEHQB-ITQMVGCCSA-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-octadecyl-2-[(11Z)-docosenoyl]-sn-glycero-3-phosphocholine (CHEBI:86443) has functional parent cetoleic acid (CHEBI:32428)
1-octadecyl-2-[(11Z)-docosenoyl]-sn-glycero-3-phosphocholine (CHEBI:86443) is a 2-acyl-1-alkyl-sn-glycero-3-phosphocholine (CHEBI:36702)
1-octadecyl-2-[(11Z)-docosenoyl]-sn-glycero-3-phosphocholine (CHEBI:86443) is a phosphatidylcholine O-40:1 (CHEBI:85574)
IUPAC Name 
(2R)-2-{[(11Z)-docos-11-enoyl]oxy}-3-(octadecyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonym  Source
PC(O-18:0/22:1(11Z))LIPID MAPS
Manual XrefsDatabases
LMGP01020213LIPID MAPS