Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-18 01:38:31 UTC
Update Date2022-08-31 18:12:56 UTC
Metabolite IDMMDBc0031544
Metabolite Identification
Common Name1-Acyl-sn-glycero-3-phosphoglycerol (N-C18:1)
Description1-acyl-sn-glycero-3-phosphoglycerol (n-c18:1) belongs to the class of Lysophosphatidylglycerols. These are glycerophosphoglycerols (molecules containing a glycerol moiety attached to the phosphate group linked to a glycerol) in which only one fatty acid is bonded to the 1-glycerol moiety (through an ester linkage). (inferred from compound structure)
Structure
Synonyms
ValueSource
3-[(2,3-Dihydroxypropyl phosphonato)oxy]-2-hydroxypropyl (9E)-octadec-9-enoic acidGenerator
Molecular FormulaC24H46O9P
Average Mass509.5904
Monoisotopic Mass509.287944582
IUPAC Name3-[(2,3-dihydroxypropyl phosphonato)oxy]-2-hydroxypropyl (9E)-octadec-9-enoate
Traditional Name3-[(2,3-dihydroxypropyl phosphonato)oxy]-2-hydroxypropyl (9E)-octadec-9-enoate
CAS Registry NumberNot Available
SMILES
[H]\C(CCCCCCCC)=C(\[H])CCCCCCCC(=O)OCC(O)COP([O-])(=O)OCC(O)CO
InChI Identifier
InChI=1S/C24H47O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(28)31-19-23(27)21-33-34(29,30)32-20-22(26)18-25/h9-10,22-23,25-27H,2-8,11-21H2,1H3,(H,29,30)/p-1/b10-9+
InChI KeyFQQQKGAFQIIGLQ-MDZDMXLPSA-M