Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-19 13:50:19 UTC
Update Date2022-09-01 01:16:07 UTC
Metabolite IDMMDBc0045473
Metabolite Identification
Common NamePC(15:1(9Z)/20:0)
DescriptionPC(15:1(9Z)/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(15:1(9Z)/20:0), in particular, consists of one 9Z-pentadecenoyl 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 FormulaC43H84NO8P
Average Mass774.118
Monoisotopic Mass773.593455667
IUPAC Name(2-{[(2R)-2-(icosanoyloxy)-3-[(9Z)-pentadec-9-enoyloxy]propyl phosphono]oxy}ethyl)trimethylazanium
Traditional Name(2-{[(2R)-2-(icosanoyloxy)-3-[(9Z)-pentadec-9-enoyloxy]propyl phosphono]oxy}ethyl)trimethylazanium
CAS Registry NumberNot Available
SMILES
[H][C@@](COC(=O)CCCCCCC\C=C/CCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC
InChI Identifier
InChI=1S/C43H84NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44(3,4)5)39-49-42(45)35-33-31-29-27-25-19-17-15-13-11-9-7-2/h15,17,41H,6-14,16,18-40H2,1-5H3/b17-15-/t41-/m1/s1
InChI KeyPPZQIKKCINYMLI-RCENZVMYSA-N