Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-19 13:48:11 UTC
Update Date2022-09-01 01:15:41 UTC
Metabolite IDMMDBc0045427
Metabolite Identification
Common NamePC(16:1(11Z)/16:1(9Z))
DescriptionPC(16:1(11Z)/16:1(9Z)) 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)/16:1(9Z)), in particular, consists of one 11Z-hexadecenoyl chain to the C-1 atom, and one 9Z-hexadecenoyl 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 FormulaC40H76NO8P
Average Mass730.021
Monoisotopic Mass729.530855409
IUPAC Name(2-{[(2R)-3-[(11Z)-hexadec-11-enoyloxy]-2-[(9Z)-hexadec-9-enoyloxy]propyl phosphono]oxy}ethyl)trimethylazanium
Traditional Name(2-{[(2R)-3-[(11Z)-hexadec-11-enoyloxy]-2-[(9Z)-hexadec-9-enoyloxy]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)CCCCCCC\C=C/CCCCCC
InChI Identifier
InChI=1S/C40H76NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h12,14,17,19,38H,6-11,13,15-16,18,20-37H2,1-5H3/b14-12-,19-17-/t38-/m1/s1
InChI KeyOUOKFYYUESMCNX-BLWIVKGYSA-N