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CHEBI:84798 - 1,2-di-(9E-hexadecenoyl)-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:84798
ChEBI Name1,2-di-(9E-hexadecenoyl)-sn-glycero-3-phosphocholine
Stars
ASCII Name1,2-di-(9E-hexadecenoyl)-sn-glycero-3-phosphocholine
DefinitionA phosphatidylcholine 32:2 in which the acyl group at both positions 1 and 2 is (9E)-hexadecenoyl respectively.
Last Modified13 February 2015
Submitternamrata
DownloadsMolfile
FormulaC40H76NO8P
Net Charge0
Average Mass730.021
Monoisotopic Mass729.53086
SMILESCCCCCC/C=C/CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C/CCCCCC
InChIInChI=1S/C40H76NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h16-19,38H,6-15,20-37H2,1-5H3/b18-16+,19-17+/t38-/m1/s1
InChIKeyGPWHCUUIQMGELX-SGZUMCNSSA-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)
1,2-di-(9E-hexadecenoyl)-sn-glycero-3-phosphocholine (CHEBI:84798) has role mouse metabolite (CHEBI:75771)
1,2-di-(9E-hexadecenoyl)-sn-glycero-3-phosphocholine (CHEBI:84798) is a phosphatidylcholine 32:2 (CHEBI:66848)
IUPAC Name 
(2R)-2,3-bis[(9E)-hexadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
Synonyms  Source
PC(16:1(9E)/16:1(9E))LIPID MAPS
PC(16:1/16:1)LIPID MAPS
Manual XrefsDatabases
LMGP01010682LIPID MAPS