Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-18 01:38:20 UTC
Update Date2022-08-31 18:12:54 UTC
Metabolite IDMMDBc0031540
Metabolite Identification
Common Name1-Acyl-sn-glycero-3-phosphoglycerol (N-C14:1)
Description1-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). (inferred from compound structure)
Structure
Synonyms
ValueSource
3-[(2,3-Dihydroxypropyl phosphonato)oxy]-2-hydroxypropyl tetradec-13-enoic acidGenerator
Molecular FormulaC20H38O9P
Average Mass453.4841
Monoisotopic Mass453.225344326
IUPAC Name3-[(2,3-dihydroxypropyl phosphonato)oxy]-2-hydroxypropyl tetradec-13-enoate
Traditional Name3-[(2,3-dihydroxypropyl phosphonato)oxy]-2-hydroxypropyl tetradec-13-enoate
CAS Registry NumberNot Available
SMILES
OCC(O)COP([O-])(=O)OCC(O)COC(=O)CCCCCCCCCCCC=C
InChI Identifier
InChI=1S/C20H39O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-20(24)27-15-19(23)17-29-30(25,26)28-16-18(22)14-21/h2,18-19,21-23H,1,3-17H2,(H,25,26)/p-1
InChI KeyGESRECYVWPNAJC-UHFFFAOYSA-M