Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-19 05:08:24 UTC
Update Date2024-04-30 20:18:36 UTC
Metabolite IDMMDBc0033913
Metabolite Identification
Common NamePC(18:3(6Z,9Z,12Z)/P-16:0)
DescriptionPC(18:3(6Z,9Z,12Z)/P-16:0) is a phosphatidylcholine (PC or GPCho). It is a glycerophospholipid in which a phosphorylcholine moiety occupies a glycerol substitution site. As is the case with diacylglycerols, glycerophosphocholines can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. Fatty acids containing 16, 18 and 20 carbons are the most common. PC(18:3(6Z,9Z,12Z)/P-16:0), in particular, consists of one chain of g-linolenic acid at the C-1 position and one chain of plasmalogen 16:0 at the C-2 position. The g-linolenic acid moiety is derived from animal fats, while the plasmalogen 16:0 moiety is derived from animal fats, liver and kidney. Phospholipids, are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling.
Structure
SynonymsNot Available
Molecular FormulaC42H78NO7P
Average Mass740.045
Monoisotopic Mass739.551590367
IUPAC Name(2-{[2-(hexadec-1-en-1-yloxy)-3-(octadeca-6,9,12-trienoyloxy)propyl phosphono]oxy}ethyl)trimethylazanium
Traditional Name(2-{[2-(hexadec-1-en-1-yloxy)-3-(octadeca-6,9,12-trienoyloxy)propyl phosphono]oxy}ethyl)trimethylazanium
CAS Registry NumberNot Available
SMILES
CCCCCCCCCCCCCCC=COC(COC(=O)CCCCC=CCC=CCC=CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C
InChI Identifier
InChI=1S/C42H78NO7P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-42(44)48-39-41(40-50-51(45,46)49-38-36-43(3,4)5)47-37-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h14,16,20,22,25,27,34,37,41H,6-13,15,17-19,21,23-24,26,28-33,35-36,38-40H2,1-5H3
InChI KeyXRJDZRCUSSFZDP-UHFFFAOYSA-N