Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-19 05:05:47 UTC
Update Date2024-04-30 20:17:53 UTC
Metabolite IDMMDBc0033848
Metabolite Identification
Common NamePC(18:1(11Z)/P-18:0)
DescriptionPC(18:1(11Z)/P-18:0) 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(18:1(11Z)/P-18:0), in particular, consists of one chain of vaccenic acid at the C-1 position and one chain of plasmalogen 18:0 at the C-2 position. The vaccenic acid moiety is derived from butter fat and animal fat, while the plasmalogen 18:0 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 FormulaC44H86NO7P
Average Mass772.1299
Monoisotopic Mass771.614190623
IUPAC Nametrimethyl(2-{[2-(octadec-1-en-1-yloxy)-3-(octadec-11-enoyloxy)propyl phosphono]oxy}ethyl)azanium
Traditional Nametrimethyl(2-{[2-(octadec-1-en-1-yloxy)-3-(octadec-11-enoyloxy)propyl phosphono]oxy}ethyl)azanium
CAS Registry NumberNot Available
SMILES
CCCCCCCCCCCCCCCCC=COC(COC(=O)CCCCCCCCCC=CCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C
InChI Identifier
InChI=1S/C44H86NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-43(42-52-53(47,48)51-40-38-45(3,4)5)41-50-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h17,19,36,39,43H,6-16,18,20-35,37-38,40-42H2,1-5H3
InChI KeyFDNRZRXSENYWER-UHFFFAOYSA-N