Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-19 13:49:40 UTC
Update Date2022-09-01 01:15:57 UTC
Metabolite IDMMDBc0045460
Metabolite Identification
Common NamePC(16:1(11Z)/18:0)
DescriptionPC(16:1(11Z)/18:0) 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)/18:0), in particular, consists of one 11Z-hexadecenoyl chain to the C-1 atom, and one octadecanoyl 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 FormulaC42H82NO8P
Average Mass760.091
Monoisotopic Mass759.577805602
IUPAC Name(2-{[(2R)-3-[(11Z)-hexadec-11-enoyloxy]-2-(octadecanoyloxy)propyl phosphono]oxy}ethyl)trimethylazanium
Traditional Name(2-{[(2R)-3-[(11Z)-hexadec-11-enoyloxy]-2-(octadecanoyloxy)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)CCCCCCCCCCCCCCCCC
InChI Identifier
InChI=1S/C42H82NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h13,15,40H,6-12,14,16-39H2,1-5H3/b15-13-/t40-/m1/s1
InChI KeyFYWLUEOPELZXHY-LLVYEJTBSA-N