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CHEBI:86432 - 1-hexadecyl-2-[(9Z)-eicosenoyl]-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:86432
ChEBI Name1-hexadecyl-2-[(9Z)-eicosenoyl]-sn-glycero-3-phosphocholine
Stars
ASCII Name1-hexadecyl-2-[(9Z)-eicosenoyl]-sn-glycero-3-phosphocholine
DefinitionA phosphatidylcholine O-36:1 in which the alkyl and acyl groups specified at positions 1 and 2 are hexadecyl and (9Z)-eicosenoyl respectively.
Last Modified13 July 2015
Submitternamrata
DownloadsMolfile
FormulaC44H88NO7P
Net Charge0
Average Mass774.162
Monoisotopic Mass773.62984
SMILESCCCCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C44H88NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-44(46)52-43(42-51-53(47,48)50-40-38-45(3,4)5)41-49-39-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h23-24,43H,6-22,25-42H2,1-5H3/b24-23-/t43-/m1/s1
InChIKeyKDJNGPJWWLDTBH-IJPQMANRSA-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-hexadecyl-2-[(9Z)-eicosenoyl]-sn-glycero-3-phosphocholine (CHEBI:86432) has functional parent gadoleic acid (CHEBI:32419)
1-hexadecyl-2-[(9Z)-eicosenoyl]-sn-glycero-3-phosphocholine (CHEBI:86432) is a 2-acyl-1-alkyl-sn-glycero-3-phosphocholine (CHEBI:36702)
1-hexadecyl-2-[(9Z)-eicosenoyl]-sn-glycero-3-phosphocholine (CHEBI:86432) is a phosphatidylcholine O-36:1 (CHEBI:67066)
IUPAC Name 
(2R)-3-(hexadecyloxy)-2-{[(9Z)-icos-9-enoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonym  Source
PC(O-16:0/20:1(9Z))LIPID MAPS
Manual XrefsDatabases
LMGP01020052LIPID MAPS