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CHEBI:84809 - 1-[(2Z)-hexadecenoyl]-2-[(9Z)-octadecenoyl]-sn-glycero-3-phosphocholine

Default Structure
ChEBI IDCHEBI:84809
ChEBI Name1-[(2Z)-hexadecenoyl]-2-[(9Z)-octadecenoyl]-sn-glycero-3-phosphocholine
Stars
ASCII Name1-[(2Z)-hexadecenoyl]-2-[(9Z)-octadecenoyl]-sn-glycero-3-phosphocholine
DefinitionA phosphatidylcholine 34:2 in which the 1- and 2-acyl groups are specified as (2Z)-hexadecenoyl and (9Z)-octadecenoyl respectively.
Last Modified16 February 2015
Submitternamrata
DownloadsMolfile
FormulaC42H80NO8P
Net Charge0
Average Mass758.075
Monoisotopic Mass757.56216
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)/C=C\CCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C42H80NO8P/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/h20-21,32,34,40H,6-19,22-31,33,35-39H2,1-5H3/b21-20-,34-32-/t40-/m1/s1
InChIKeyVPPFFEUDOLPGFB-QTNCRPRLSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - MetaboLights (MTBLS143)
Roles Classification
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
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-[(2Z)-hexadecenoyl]-2-[(9Z)-octadecenoyl]-sn-glycero-3-phosphocholine (CHEBI:84809) has functional parent oleic acid (CHEBI:16196)
1-[(2Z)-hexadecenoyl]-2-[(9Z)-octadecenoyl]-sn-glycero-3-phosphocholine (CHEBI:84809) has role mouse metabolite (CHEBI:75771)
1-[(2Z)-hexadecenoyl]-2-[(9Z)-octadecenoyl]-sn-glycero-3-phosphocholine (CHEBI:84809) is a phosphatidylcholine 34:2 (CHEBI:64516)
IUPAC Name 
(2R)-3-[(2Z)-hexadec-2-enoyloxy]-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
Synonyms  Source
PC(16:1/18:1)LIPID MAPS
PC(16:1(2Z)/18:1(9Z))LIPID MAPS
Manual XrefsDatabases
LMGP01010678LIPID MAPS