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CHEBI:86438 - 1-octadecyl-2-[(9Z)-eicosenoyl]-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:86438
ChEBI Name1-octadecyl-2-[(9Z)-eicosenoyl]-sn-glycero-3-phosphocholine
Stars
ASCII Name1-octadecyl-2-[(9Z)-eicosenoyl]-sn-glycero-3-phosphocholine
DefinitionA phosphatidylcholine O-38:1 in which the alkyl and acyl groups at positions 1 and 2 are octadecyl and (9Z)-eicosenoyl respectively.
Last Modified13 July 2015
Submitternamrata
DownloadsMolfile
FormulaC46H92NO7P
Net Charge0
Average Mass802.216
Monoisotopic Mass801.66114
SMILESCCCCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C46H92NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h24-25,45H,6-23,26-44H2,1-5H3/b25-24-/t45-/m1/s1
InChIKeyDBNUPYDJSILSJX-VABJTFOOSA-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-[(9Z)-eicosenoyl]-sn-glycero-3-phosphocholine (CHEBI:86438) has functional parent gadoleic acid (CHEBI:32419)
1-octadecyl-2-[(9Z)-eicosenoyl]-sn-glycero-3-phosphocholine (CHEBI:86438) is a 2-acyl-1-alkyl-sn-glycero-3-phosphocholine (CHEBI:36702)
1-octadecyl-2-[(9Z)-eicosenoyl]-sn-glycero-3-phosphocholine (CHEBI:86438) is a phosphatidylcholine O-38:1 (CHEBI:67070)
IUPAC Name 
(2R)-2-{[(9Z)-icos-9-enoyl]oxy}-3-(octadecyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonym  Source
PC(O-18:0/20:1(9Z))LIPID MAPS
Manual XrefsDatabases
LMGP01020099LIPID MAPS