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CHEBI:131658 - 1-[(9Z)-hexadecenyl]-2-acetyl-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:131658
ChEBI Name1-[(9Z)-hexadecenyl]-2-acetyl-sn-glycero-3-phosphocholine
Stars
ASCII Name1-[(9Z)-hexadecenyl]-2-acetyl-sn-glycero-3-phosphocholine
DefinitionA 2-acetyl-1-alkyl-sn-glycero-3-phosphocholine in which the alkyl group is specified as (9Z)-hexadecenyl.
Last Modified15 November 2016
Submittermwilliams
DownloadsMolfile
FormulaC26H52NO7P
Net Charge0
Average Mass521.676
Monoisotopic Mass521.34814
SMILESCCCCCC/C=C\CCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(C)=O
InChIInChI=1S/C26H52NO7P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-31-23-26(34-25(2)28)24-33-35(29,30)32-22-20-27(3,4)5/h11-12,26H,6-10,13-24H2,1-5H3/b12-11-/t26-/m1/s1
InChIKeyUURHYSSHOYMCKH-XCMWCYMESA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090)
- PubMed (27471436)
- MetaboLights (MTBLS334)
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-[(9Z)-hexadecenyl]-2-acetyl-sn-glycero-3-phosphocholine (CHEBI:131658) has role mouse metabolite (CHEBI:75771)
1-[(9Z)-hexadecenyl]-2-acetyl-sn-glycero-3-phosphocholine (CHEBI:131658) is a 2-acetyl-1-alkyl-sn-glycero-3-phosphocholine (CHEBI:36707)
IUPAC Name 
(2R)-2-(acetyloxy)-3-{[(9Z)-hexadec-9-en-1-yl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
PC(O-16:1(9Z)/2:0)ChEBI
phosphatidylcholine (O-16:1(9Z)/2:0)ChEBI
Citations