Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-18 01:38:11 UTC
Update Date2022-08-31 18:12:52 UTC
Metabolite IDMMDBc0031536
Metabolite Identification
Common Name1-Acyl-sn-glycero-3-phosphoethanolamine (N-C18:0)
Description1-acyl-sn-glycero-3-phosphoethanolamine (n-c18:0) belongs to the class of Lysophosphatidylethanolamines. These are glycerophosphoetahnolamines (molecules containing an ethanolamine moiety attached to the phosphate group linked to a glycerol) with one saturated fatty acid bonded to the glycerol moiety through an ester linkage. (inferred from compound structure)
Structure
Synonyms
ValueSource
(2-Aminoethoxy)[2-hydroxy-3-(octadecanoyloxy)propoxy]phosphinateGenerator
Molecular FormulaC23H48NO7P
Average Mass481.6035
Monoisotopic Mass481.316839407
IUPAC Name(2-aminoethoxy)[2-hydroxy-3-(octadecanoyloxy)propoxy]phosphinic acid
Traditional Name2-aminoethoxy(2-hydroxy-3-(octadecanoyloxy)propoxy)phosphinic acid
CAS Registry NumberNot Available
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC(O)COP(O)(=O)OCCN
InChI Identifier
InChI=1S/C23H48NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)29-20-22(25)21-31-32(27,28)30-19-18-24/h22,25H,2-21,24H2,1H3,(H,27,28)
InChI KeyBBYWOYAFBUOUFP-UHFFFAOYSA-N