Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-18 01:39:17 UTC
Update Date2022-08-31 18:21:48 UTC
Metabolite IDMMDBc0031562
Metabolite Identification
Common Name2-Acyl-sn-glycero-3-phosphoethanolamine (N-C18:1)
Description2-acyl-sn-glycero-3-phosphoethanolamine (n-c18:1) 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 FormulaC23H43NO7P
Average Mass476.5638
Monoisotopic Mass476.277714247
IUPAC Name{2-[(3-hydroxy-2-{[(11E)-1-(λ³-oxidanyliumylidene)octadec-11-en-1-yl]oxy}propyl phosphonato)oxy]ethyl}azanylidene
Traditional Name{2-[(3-hydroxy-2-{[(11E)-1-(λ³-oxidanyliumylidene)octadec-11-en-1-yl]oxy}propyl phosphonato)oxy]ethyl}azanylidene
CAS Registry NumberNot Available
SMILES
[H]\C(CCCCCC)=C(\[H])CCCCCCCCCC(=[O+])OC(CO)COP([O-])(=O)OCC[N]
InChI Identifier
InChI=1S/C23H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)31-22(20-25)21-30-32(27,28)29-19-18-24/h7-8,22,25H,2-6,9-21H2,1H3,(H,27,28)/q+1/p-1/b8-7+
InChI KeyQLFHRWIZXUHUNT-BQYQJAHWSA-M