Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-18 01:38:15 UTC
Update Date2022-08-31 18:12:53 UTC
Metabolite IDMMDBc0031538
Metabolite Identification
Common Name1-Acyl-sn-glycero-3-phosphoglycerol (N-C12:0)
Description1-acyl-sn-glycero-3-phosphoglycerol (n-c12:0) 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 dodecanoic acidGenerator
Molecular FormulaC18H36O9P
Average Mass427.4468
Monoisotopic Mass427.209694262
IUPAC Name3-[(2,3-dihydroxypropyl phosphonato)oxy]-2-hydroxypropyl dodecanoate
Traditional Name3-[(2,3-dihydroxypropyl phosphonato)oxy]-2-hydroxypropyl dodecanoate
CAS Registry NumberNot Available
SMILES
CCCCCCCCCCCC(=O)OCC(O)COP([O-])(=O)OCC(O)CO
InChI Identifier
InChI=1S/C18H37O9P/c1-2-3-4-5-6-7-8-9-10-11-18(22)25-13-17(21)15-27-28(23,24)26-14-16(20)12-19/h16-17,19-21H,2-15H2,1H3,(H,23,24)/p-1
InChI KeyIACXMECMZISNLR-UHFFFAOYSA-M