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CHEBI:181146 - (2-Hydroxy-3-octadeca-6,9,12-trienoyloxypropyl) 2-(trimethylazaniumyl)ethyl phosphate

ChEBI IDCHEBI:181146
ChEBI Name(2-Hydroxy-3-octadeca-6,9,12-trienoyloxypropyl) 2-(trimethylazaniumyl)ethyl phosphate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H48NO7P
Net Charge0
Average Mass517.644
Monoisotopic Mass517.31684
SMILESCCCCCC=CCC=CCC=CCCCCC(=O)OCC(O)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C26H48NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h9-10,12-13,15-16,25,28H,5-8,11,14,17-24H2,1-4H3
InChIKeyMRTUWVDDQVMUCR-UHFFFAOYSA-N
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
(2-Hydroxy-3-octadeca-6,9,12-trienoyloxypropyl) 2-(trimethylazaniumyl)ethyl phosphate (CHEBI:181146) is a 1-O-acyl-sn-glycero-3-phosphocholine (CHEBI:58168)
IUPAC Name 
(2-hydroxy-3-octadeca-6,9,12-trienoyloxypropyl) 2-(trimethylazaniumyl)ethyl phosphate