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CHEBI:84826 - 1-(1Z-octadecenyl)-2-hexadecanoyl-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:84826
ChEBI Name1-(1Z-octadecenyl)-2-hexadecanoyl-sn-glycero-3-phosphocholine
Stars
ASCII Name1-(1Z-octadecenyl)-2-hexadecanoyl-sn-glycero-3-phosphocholine
DefinitionA 1-O-(alk-1-enyl)-2-O-acyl-sn-glycero-3-phosphocholine in which the alkenyl group at position 1 is (1Z)-octadecenyl and the acyl group at position 2 is hexadecanoyl respectively.
Last Modified14 July 2015
Submitternamrata
DownloadsMolfile
FormulaC42H84NO7P
Net Charge0
Average Mass746.108
Monoisotopic Mass745.59854
SMILES[H][C@@](CO/C=C\CCCCCCCCCCCCCCCC)(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C42H84NO7P/c1-6-8-10-12-14-16-18-20-21-22-24-26-28-30-32-34-37-47-39-41(40-49-51(45,46)48-38-36-43(3,4)5)50-42(44)35-33-31-29-27-25-23-19-17-15-13-11-9-7-2/h34,37,41H,6-33,35-36,38-40H2,1-5H3/b37-34-/t41-/m1/s1
InChIKeyOIICTMOQBYZCDA-IIKIFWEUSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - MetaboLights (MTBLS143)
Roles Classification
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
1-(1Z-octadecenyl)-2-hexadecanoyl-sn-glycero-3-phosphocholine (CHEBI:84826) has functional parent hexadecanoic acid (CHEBI:15756)
1-(1Z-octadecenyl)-2-hexadecanoyl-sn-glycero-3-phosphocholine (CHEBI:84826) has role mouse metabolite (CHEBI:75771)
1-(1Z-octadecenyl)-2-hexadecanoyl-sn-glycero-3-phosphocholine (CHEBI:84826) is a 1-O-(alk-1-enyl)-2-O-acyl-sn-glycero-3-phosphocholine (CHEBI:17810)
IUPAC Name 
(2R)-2-(hexadecanoyloxy)-3-[(1Z)-octadec-1-en-1-yloxy]propyl 2-(trimethylammonio)ethyl phosphate
Synonym  Source
PC(P-18:0/16:0)LIPID MAPS
Manual XrefsDatabases
LMGP01030052LIPID MAPS