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CHEBI:86449 - 1-icosyl-2-[(11Z)-docosenoyl]-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:86449
ChEBI Name1-icosyl-2-[(11Z)-docosenoyl]-sn-glycero-3-phosphocholine
Stars
ASCII Name1-icosyl-2-[(11Z)-docosenoyl]-sn-glycero-3-phosphocholine
DefinitionA phosphatidylcholine O-42:1 in which the alkyl and acyl groups specified at positions 1 and 2 are icosyl and (11Z)-docosenoyl respectively.
Last Modified13 July 2015
Submitternamrata
DownloadsMolfile
FormulaC50H100NO7P
Net Charge0
Average Mass858.324
Monoisotopic Mass857.72374
SMILESCCCCCCCCCC/C=C\CCCCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C50H100NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-27-29-31-33-35-37-39-41-43-50(52)58-49(48-57-59(53,54)56-46-44-51(3,4)5)47-55-45-42-40-38-36-34-32-30-28-25-23-21-19-17-15-13-11-9-7-2/h24,26,49H,6-23,25,27-48H2,1-5H3/b26-24-/t49-/m1/s1
InChIKeyARBABUWZWGEHBW-XXPSLULPSA-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-icosyl-2-[(11Z)-docosenoyl]-sn-glycero-3-phosphocholine (CHEBI:86449) has functional parent cetoleic acid (CHEBI:32428)
1-icosyl-2-[(11Z)-docosenoyl]-sn-glycero-3-phosphocholine (CHEBI:86449) is a 2-acyl-1-alkyl-sn-glycero-3-phosphocholine (CHEBI:36702)
1-icosyl-2-[(11Z)-docosenoyl]-sn-glycero-3-phosphocholine (CHEBI:86449) is a phosphatidylcholine O-42:1 (CHEBI:85583)
IUPAC Name 
(2R)-2-{[(11Z)-docos-11-enoyl]oxy}-3-(icosyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
1-eicosyl-2-(11Z-docosenoyl)-glycero-3-phosphocholineLIPID MAPS
PC(O-20:0/22:1(11Z))LIPID MAPS
Manual XrefsDatabases
LMGP01020241LIPID MAPS