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CHEBI:131687 - 1-pentadecyl-2-acetyl-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:131687
ChEBI Name1-pentadecyl-2-acetyl-sn-glycero-3-phosphocholine
Stars
ASCII Name1-pentadecyl-2-acetyl-sn-glycero-3-phosphocholine
DefinitionA 2-acyl-1-alkyl-sn-glycero-3-phosphocholine in which the alkyl and the acyl groups at positions 1 and 2 are specified as pentadecyl and acetyl respectively.
Last Modified16 November 2016
Submittermwilliams
DownloadsMolfile
FormulaC25H52NO7P
Net Charge0
Average Mass509.665
Monoisotopic Mass509.34814
SMILESCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(C)=O
InChIInChI=1S/C25H52NO7P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-20-30-22-25(33-24(2)27)23-32-34(28,29)31-21-19-26(3,4)5/h25H,6-23H2,1-5H3/t25-/m1/s1
InChIKeyHHOGWFNRRRCYSF-RUZDIDTESA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - MetaboLights (MTBLS334)
Homo sapiens (ncbitaxon:9606) - PubMed (24996486)
Roles Classification
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
1-pentadecyl-2-acetyl-sn-glycero-3-phosphocholine (CHEBI:131687) has role human metabolite (CHEBI:77746)
1-pentadecyl-2-acetyl-sn-glycero-3-phosphocholine (CHEBI:131687) has role mouse metabolite (CHEBI:75771)
1-pentadecyl-2-acetyl-sn-glycero-3-phosphocholine (CHEBI:131687) is a 2-acyl-1-alkyl-sn-glycero-3-phosphocholine (CHEBI:36702)
IUPAC Name 
(2R)-2-(acetyloxy)-3-(pentadecyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonym  Source
PC(O-15:0/2:0)LIPID MAPS
Manual XrefsDatabases
24822847ChemSpider
LMGP01020024LIPID MAPS
Registry NumbersSources
Reaxys:7836536Reaxys
Citations