Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-18 01:38:09 UTC
Update Date2022-08-31 18:12:52 UTC
Metabolite IDMMDBc0031535
Metabolite Identification
Common Name1-Acyl-sn-glycero-3-phosphoethanolamine (N-C16:1)
Description1-acyl-sn-glycero-3-phosphoethanolamine (n-c16:1) 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
SynonymsNot Available
Molecular FormulaC21H39NO7P
Average Mass448.5106
Monoisotopic Mass448.246414119
IUPAC Name{2-[(2-hydroxy-3-{[(9E)-1-(λ³-oxidanyliumylidene)hexadec-9-en-1-yl]oxy}propyl phosphonato)oxy]ethyl}azanylidene
Traditional Name{2-[(2-hydroxy-3-{[(9E)-1-(λ³-oxidanyliumylidene)hexadec-9-en-1-yl]oxy}propyl phosphonato)oxy]ethyl}azanylidene
CAS Registry NumberNot Available
SMILES
[H]\C(CCCCCC)=C(\[H])CCCCCCCC(=[O+])OCC(O)COP([O-])(=O)OCC[N]
InChI Identifier
InChI=1S/C21H40NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(24)27-18-20(23)19-29-30(25,26)28-17-16-22/h7-8,20,23H,2-6,9-19H2,1H3,(H,25,26)/q+1/p-1/b8-7+
InChI KeyCPSHTZILDYABSV-BQYQJAHWSA-M