Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-18 01:39:26 UTC
Update Date2022-08-31 18:21:50 UTC
Metabolite IDMMDBc0031566
Metabolite Identification
Common Name2-Acyl-sn-glycero-3-phosphoglycerol (N-C16:1)
Description2-acyl-sn-glycero-3-phosphoglycerol (n-c16:1) 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).
Structure
Synonyms
ValueSource
1-[(2,3-Dihydroxypropyl phosphonato)oxy]-3-hydroxypropan-2-yl (9E)-hexadec-9-enoic acidGenerator
Molecular FormulaC22H42O9P
Average Mass481.5372
Monoisotopic Mass481.256644454
IUPAC Name1-[(2,3-dihydroxypropyl phosphonato)oxy]-3-hydroxypropan-2-yl (9E)-hexadec-9-enoate
Traditional Name1-[(2,3-dihydroxypropyl phosphonato)oxy]-3-hydroxypropan-2-yl (9E)-hexadec-9-enoate
CAS Registry NumberNot Available
SMILES
[H]\C(CCCCCC)=C(\[H])CCCCCCCC(=O)OC(CO)COP([O-])(=O)OCC(O)CO
InChI Identifier
InChI=1S/C22H43O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(26)31-21(17-24)19-30-32(27,28)29-18-20(25)16-23/h7-8,20-21,23-25H,2-6,9-19H2,1H3,(H,27,28)/p-1/b8-7+
InChI KeyODSTWKSGFQDYQP-BQYQJAHWSA-M