Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-19 13:48:43 UTC
Update Date2022-09-01 01:15:47 UTC
Metabolite IDMMDBc0045439
Metabolite Identification
Common NamePC(15:1(9Z)/18:1(11Z))
DescriptionPC(15:1(9Z)/18:1(11Z)) 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(15:1(9Z)/18:1(11Z)), in particular, consists of one 9Z-pentadecenoyl chain to the C-1 atom, and one 11Z-octadecenoyl 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 FormulaC41H78NO8P
Average Mass744.048
Monoisotopic Mass743.546505474
IUPAC Nametrimethyl(2-{[(2R)-2-[(11Z)-octadec-11-enoyloxy]-3-[(9Z)-pentadec-9-enoyloxy]propyl phosphono]oxy}ethyl)azanium
Traditional Nametrimethyl(2-{[(2R)-2-[(11Z)-octadec-11-enoyloxy]-3-[(9Z)-pentadec-9-enoyloxy]propyl phosphono]oxy}ethyl)azanium
CAS Registry NumberNot Available
SMILES
[H][C@@](COC(=O)CCCCCCC\C=C/CCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCC
InChI Identifier
InChI=1S/C41H78NO8P/c1-6-8-10-12-14-16-18-20-21-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42(3,4)5)37-47-40(43)33-31-29-27-25-23-19-17-15-13-11-9-7-2/h15-18,39H,6-14,19-38H2,1-5H3/b17-15-,18-16-/t39-/m1/s1
InChI KeyQYRGGWGWTAPEPT-DQXRBBCZSA-N