Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-18 01:39:22 UTC
Update Date2022-08-31 18:21:49 UTC
Metabolite IDMMDBc0031564
Metabolite Identification
Common Name2-Acyl-sn-glycero-3-phosphoglycerol (N-C14:1)
Description2-Acyl-sn-glycero-3-phosphoglycerol (n-C14:1) 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 (7E)-tetradec-7-enoic acidGenerator
Molecular FormulaC20H38O9P
Average Mass453.4841
Monoisotopic Mass453.225344326
IUPAC Name1-[(2,3-dihydroxypropyl phosphonato)oxy]-3-hydroxypropan-2-yl (7E)-tetradec-7-enoate
Traditional Name1-[(2,3-dihydroxypropyl phosphonato)oxy]-3-hydroxypropan-2-yl (7E)-tetradec-7-enoate
CAS Registry NumberNot Available
SMILES
[H]\C(CCCCCC)=C(\[H])CCCCCC(=O)OC(CO)COP([O-])(=O)OCC(O)CO
InChI Identifier
InChI=1S/C20H39O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-20(24)29-19(15-22)17-28-30(25,26)27-16-18(23)14-21/h7-8,18-19,21-23H,2-6,9-17H2,1H3,(H,25,26)/p-1/b8-7+
InChI KeyBHICCPXVDIQMCF-BQYQJAHWSA-M