Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-18 01:38:40 UTC
Update Date2022-08-31 18:21:40 UTC
Metabolite IDMMDBc0031548
Metabolite Identification
Common Name1-Octadec-11-enoyl-sn-glycerol 3-phosphate
Description1-octadec-11-enoyl-sn-glycerol 3-phosphate belongs to the class of Lysophosphatidic Acids. These are glycerophosphates where the glycerol is esterified with one saturated fatty acid. (inferred from compound structure)
Structure
Synonyms
ValueSource
1-Octadec-11-enoyl-sn-glycerol 3-phosphoric acidGenerator
2-Hydroxy-3-(phosphonatooxy)propyl (11E)-octadec-11-enoic acidGenerator
Molecular FormulaC21H39O7P
Average Mass434.5039
Monoisotopic Mass434.243340114
IUPAC Name2-hydroxy-3-(phosphonatooxy)propyl (11E)-octadec-11-enoate
Traditional Name2-hydroxy-3-(phosphonatooxy)propyl (11E)-octadec-11-enoate
CAS Registry NumberNot Available
SMILES
[H]\C(CCCCCC)=C(\[H])CCCCCCCCCC(=O)OCC(O)COP([O-])([O-])=O
InChI Identifier
InChI=1S/C21H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h7-8,20,22H,2-6,9-19H2,1H3,(H2,24,25,26)/p-2/b8-7+
InChI KeyLWSYATLSXCUNTB-BQYQJAHWSA-L