Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-18 01:39:11 UTC
Update Date2022-08-31 18:21:46 UTC
Metabolite IDMMDBc0031559
Metabolite Identification
Common Name2-Acyl-sn-glycero-3-phosphoethanolamine (N-C16:0)
Description2-acyl-sn-glycero-3-phosphoethanolamine (n-c16:0) 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-(hexadecanoyloxy)-3-hydroxypropoxy]phosphinateGenerator
Molecular FormulaC21H44NO7P
Average Mass453.5503
Monoisotopic Mass453.285539279
IUPAC Name(2-aminoethoxy)[2-(hexadecanoyloxy)-3-hydroxypropoxy]phosphinic acid
Traditional Name2-aminoethoxy(2-(hexadecanoyloxy)-3-hydroxypropoxy)phosphinic acid
CAS Registry NumberNot Available
SMILES
CCCCCCCCCCCCCCCC(=O)OC(CO)COP(O)(=O)OCCN
InChI Identifier
InChI=1S/C21H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(24)29-20(18-23)19-28-30(25,26)27-17-16-22/h20,23H,2-19,22H2,1H3,(H,25,26)
InChI KeyCKPBBEOJHAPPBT-UHFFFAOYSA-N