Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-19 05:12:12 UTC
Update Date2024-04-30 20:19:46 UTC
Metabolite IDMMDBc0034003
Metabolite Identification
Common NamePC(20:2(11Z,14Z)/P-18:1(9Z))
DescriptionPC(20:2(11Z,14Z)/P-18:1(9Z)) 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(20:2(11Z,14Z)/P-18:1(9Z)), in particular, consists of one chain of eicosadienoic acid at the C-1 position and one chain of plasmalogen 18:1n9 at the C-2 position. The eicosadienoic acid moiety is derived from fish oils and liver, while the plasmalogen 18:1n9 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 FormulaC46H86NO7P
Average Mass796.1513
Monoisotopic Mass795.614190623
IUPAC Name(2-{[3-(icosa-11,14-dienoyloxy)-2-(octadeca-1,9-dien-1-yloxy)propyl phosphonato]oxy}ethyl)trimethylazanium
Traditional Name(2-{[3-(icosa-11,14-dienoyloxy)-2-(octadeca-1,9-dien-1-yloxy)propyl phosphonato]oxy}ethyl)trimethylazanium
CAS Registry NumberNot Available
SMILES
CCCCCCCCC=CCCCCCCC=COC(COC(=O)CCCCCCCCCC=CCC=CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C
InChI Identifier
InChI=1S/C46H86NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)52-43-45(44-54-55(49,50)53-42-40-47(3,4)5)51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h14,16,20-23,38,41,45H,6-13,15,17-19,24-37,39-40,42-44H2,1-5H3
InChI KeyMNYVVMFJSOVVPD-UHFFFAOYSA-N