Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-19 13:49:55 UTC
Update Date2022-09-01 01:16:00 UTC
Metabolite IDMMDBc0045465
Metabolite Identification
Common NamePC(10:0/25:1(9Z))
DescriptionPC(10:0/25:1(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(10:0/25:1(9Z)), in particular, consists of one decanoyl chain to the C-1 atom, and one 9Z-pentacosenoyl 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)-3-(decanoyloxy)-2-[(9Z)-pentacos-9-enoyloxy]propyl phosphono]oxy}ethyl)trimethylazanium
Traditional Name(2-{[(2R)-3-(decanoyloxy)-2-[(9Z)-pentacos-9-enoyloxy]propyl phosphono]oxy}ethyl)trimethylazanium
CAS Registry NumberNot Available
SMILES
[H][C@@](COC(=O)CCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCCCCCCCCC
InChI Identifier
InChI=1S/C43H84NO8P/c1-6-8-10-12-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44(3,4)5)39-49-42(45)35-33-31-29-13-11-9-7-2/h24-25,41H,6-23,26-40H2,1-5H3/b25-24-/t41-/m1/s1
InChI KeyHBDXZXHKUBKMRH-FQCGFKQYSA-N