Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-19 13:51:10 UTC
Update Date2022-09-01 01:16:22 UTC
Metabolite IDMMDBc0045491
Metabolite Identification
Common NamePC(16:1(11Z)/20:0)
DescriptionPC(16:1(11Z)/20:0) is a phosphatidylchloline (PC). It is a glycerophospholipid in which a phosphorylcholine moiety occupies a glycerol substitution site. As is the case with diacylglycerols, phosphatidylcholines can have many different combinations of fatty acids of varying lengths and saturation attached to the C-1 and C-2 positions. PC(16:1(11Z)/20:0), in particular, consists of one 11Z-hexadecenoyl chain to the C-1 atom, and one eicosanoyl to the C-2 atom. In E. coli, PCs can be found in the integral component of the cell outer membrane. They are hydrolyzed by Phospholipases to a 2-acylglycerophosphocholine and a carboxylate.
Structure
SynonymsNot Available
Molecular FormulaC44H86NO8P
Average Mass788.145
Monoisotopic Mass787.609105731
IUPAC Name(2-{[(2R)-3-[(11Z)-hexadec-11-enoyloxy]-2-(icosanoyloxy)propyl phosphono]oxy}ethyl)trimethylazanium
Traditional Name(2-{[(2R)-3-[(11Z)-hexadec-11-enoyloxy]-2-(icosanoyloxy)propyl phosphono]oxy}ethyl)trimethylazanium
CAS Registry NumberNot Available
SMILES
[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC
InChI Identifier
InChI=1S/C44H86NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2/h13,15,42H,6-12,14,16-41H2,1-5H3/b15-13-/t42-/m1/s1
InChI KeyXIVWUBIXWIFUMH-FASREOMLSA-N