Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-19 05:02:59 UTC
Update Date2024-04-30 20:17:05 UTC
Metabolite IDMMDBc0033781
Metabolite Identification
Common NamePC(16:0/P-18:1(11Z))
DescriptionPC(16:0/P-18:1(11Z)) 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(16:0/P-18:1(11Z)), in particular, consists of one chain of palmitic acid at the C-1 position and one chain of plasmalogen 18:1n7 at the C-2 position. The palmitic acid moiety is derived from fish oils, milk fats, vegetable oils and animal fats, while the plasmalogen 18:1n7 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 FormulaC42H82NO7P
Average Mass744.0767
Monoisotopic Mass743.582890495
IUPAC Name(2-{[3-(hexadecanoyloxy)-2-(octadeca-1,11-dien-1-yloxy)propyl phosphono]oxy}ethyl)trimethylazanium
Traditional Name(2-{[3-(hexadecanoyloxy)-2-(octadeca-1,11-dien-1-yloxy)propyl phosphono]oxy}ethyl)trimethylazanium
CAS Registry NumberNot Available
SMILES
CCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)OC=CCCCCCCCCC=CCCCCCC
InChI Identifier
InChI=1S/C42H82NO7P/c1-6-8-10-12-14-16-18-20-21-22-24-26-28-30-32-34-37-47-41(40-50-51(45,46)49-38-36-43(3,4)5)39-48-42(44)35-33-31-29-27-25-23-19-17-15-13-11-9-7-2/h16,18,34,37,41H,6-15,17,19-33,35-36,38-40H2,1-5H3
InChI KeyMPQGNHKVOVYEEN-UHFFFAOYSA-N