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CHEBI:86097 - 1-octadecanoyl-2-[(9Z)-hexadecenoyl]-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:86097
ChEBI Name1-octadecanoyl-2-[(9Z)-hexadecenoyl]-sn-glycero-3-phosphocholine
Stars
ASCII Name1-octadecanoyl-2-[(9Z)-hexadecenoyl]-sn-glycero-3-phosphocholine
DefinitionA phosphatidylcholine 34:1 in which the acyl groups specified at positions 1 and 2 are octadecanoyl and (9Z)-hexadecenoyl respectively.
Last Modified23 October 2015
Submitternamrata
DownloadsMolfile
FormulaC42H82NO8P
Net Charge0
Average Mass760.091
Monoisotopic Mass759.57781
SMILESCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C42H82NO8P/c1-6-8-10-12-14-16-18-20-21-23-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-25-22-19-17-15-13-11-9-7-2/h17,19,40H,6-16,18,20-39H2,1-5H3/b19-17-/t40-/m1/s1
InChIKeyQRSPNOMDLRZDPG-QCFYSATCSA-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-octadecanoyl-2-[(9Z)-hexadecenoyl]-sn-glycero-3-phosphocholine (CHEBI:86097) has functional parent octadecanoic acid (CHEBI:28842)
1-octadecanoyl-2-[(9Z)-hexadecenoyl]-sn-glycero-3-phosphocholine (CHEBI:86097) has functional parent palmitoleic acid (CHEBI:28716)
1-octadecanoyl-2-[(9Z)-hexadecenoyl]-sn-glycero-3-phosphocholine (CHEBI:86097) is a phosphatidylcholine 34:1 (CHEBI:64517)
IUPAC Name 
(2R)-2-{[(9Z)-hexadec-9-enoyl]oxy}-3-(octadecanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
Phosphatidylcholine(18:0/16:1w7)LIPID MAPS
Phosphatidylcholine(18:0/16:1)LIPID MAPS
GPCho(18:0/16:1)LIPID MAPS
Phosphatidylcholine(18:0/16:1n7)LIPID MAPS
GPCho(18:0/16:1n7)LIPID MAPS
PC(18:0/16:1(9Z))LIPID MAPS
Manual XrefsDatabases
LMGP01010744LIPID MAPS
HMDB0008035HMDB