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CHEBI:85037 - 1-palmitoyl-2-(11Z-octadecenoyl)-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:85037
ChEBI Name1-palmitoyl-2-(11Z-octadecenoyl)-sn-glycero-3-phosphocholine
Stars
ASCII Name1-palmitoyl-2-(11Z-octadecenoyl)-sn-glycero-3-phosphocholine
DefinitionA phosphatidylcholine 34:1 in which the 1- and 2-acyl groups are specified as hexadecanoyl (palmitoyl) and 11Z-octadecenoyl (cis-vaccenoyl) respectively.
Last Modified23 October 2015
Submitternamrata
DownloadsMolfile
FormulaC42H82NO8P
Net Charge0
Average Mass760.091
Monoisotopic Mass759.57781
SMILESCCCCCC/C=C\CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C42H82NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h16,18,40H,6-15,17,19-39H2,1-5H3/b18-16-/t40-/m1/s1
InChIKeyAEPVLLKGEBHLEJ-KWNHIAGJSA-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-palmitoyl-2-(11Z-octadecenoyl)-sn-glycero-3-phosphocholine (CHEBI:85037) has functional parent cis-vaccenic acid (CHEBI:50464)
1-palmitoyl-2-(11Z-octadecenoyl)-sn-glycero-3-phosphocholine (CHEBI:85037) has functional parent hexadecanoic acid (CHEBI:15756)
1-palmitoyl-2-(11Z-octadecenoyl)-sn-glycero-3-phosphocholine (CHEBI:85037) is a phosphatidylcholine 34:1 (CHEBI:64517)
IUPAC Name 
(2R)-3-(hexadecanoyloxy)-2-[(11Z)-octadec-11-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
Synonyms  Source
GPCho(16:0/18:1)HMDB
PC(16:0/18:1(11Z))HMDB
1-hexadecanoyl-2-(11Z-octadecenoyl)-sn-glycero-3-phosphocholineLIPID MAPS
1-Palmitoyl-2-vaccenoyl-sn-glycero-3-phosphocholineHMDB
Manual XrefsDatabases
HMDB0007971HMDB
LMGP01010576LIPID MAPS