Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-19 13:46:10 UTC
Update Date2022-09-01 01:15:15 UTC
Metabolite IDMMDBc0045384
Metabolite Identification
Common NamePC(10:0/15:1(9Z))
DescriptionPC(10:0/15:1(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(10:0/15:1(9Z)), in particular, consists of one decanoyl chain to the C-1 atom, and one 9Z-pentadecenoyl 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 FormulaC33H64NO8P
Average Mass633.848
Monoisotopic Mass633.436955023
IUPAC Name(2-{[(2R)-3-(decanoyloxy)-2-[(9Z)-pentadec-9-enoyloxy]propyl phosphono]oxy}ethyl)trimethylazanium
Traditional Name(2-{[(2R)-3-(decanoyloxy)-2-[(9Z)-pentadec-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/CCCCC
InChI Identifier
InChI=1S/C33H64NO8P/c1-6-8-10-12-14-15-16-17-18-20-22-24-26-33(36)42-31(30-41-43(37,38)40-28-27-34(3,4)5)29-39-32(35)25-23-21-19-13-11-9-7-2/h14-15,31H,6-13,16-30H2,1-5H3/b15-14-/t31-/m1/s1
InChI KeyHUJVYEMWNNEZEE-BPRWFLIUSA-N