Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-18 01:38:04 UTC
Update Date2022-08-31 18:12:51 UTC
Metabolite IDMMDBc0031533
Metabolite Identification
Common Name1-Acyl-sn-glycero-3-phosphoethanolamine (N-C14:1)
Description1-Acyl-sn-glycero-3-phosphoethanolamine (n-C14:1) 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 FormulaC19H35NO7P
Average Mass420.4575
Monoisotopic Mass420.215113991
IUPAC Name{2-[(2-hydroxy-3-{[(7E)-1-(λ³-oxidanyliumylidene)tetradec-7-en-1-yl]oxy}propyl phosphonato)oxy]ethyl}azanylidene
Traditional Name{2-[(2-hydroxy-3-{[(7E)-1-(λ³-oxidanyliumylidene)tetradec-7-en-1-yl]oxy}propyl phosphonato)oxy]ethyl}azanylidene
CAS Registry NumberNot Available
SMILES
[H]\C(CCCCCC)=C(\[H])CCCCCC(=[O+])OCC(O)COP([O-])(=O)OCC[N]
InChI Identifier
InChI=1S/C19H36NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-19(22)25-16-18(21)17-27-28(23,24)26-15-14-20/h7-8,18,21H,2-6,9-17H2,1H3,(H,23,24)/q+1/p-1/b8-7+
InChI KeyOYQMBAUDNLREGY-BQYQJAHWSA-M