Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-19 13:47:49 UTC
Update Date2022-09-01 01:15:37 UTC
Metabolite IDMMDBc0045419
Metabolite Identification
Common NamePC(15:0/16:1(11Z))
DescriptionPC(15:0/16:1(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(15:0/16:1(11Z)), in particular, consists of one pentadecanoyl chain to the C-1 atom, and one 11Z-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 FormulaC39H76NO8P
Average Mass718.01
Monoisotopic Mass717.530855409
IUPAC Name(2-{[(2R)-2-[(11Z)-hexadec-11-enoyloxy]-3-(pentadecanoyloxy)propyl phosphono]oxy}ethyl)trimethylazanium
Traditional Name(2-{[(2R)-2-[(11Z)-hexadec-11-enoyloxy]-3-(pentadecanoyloxy)propyl phosphono]oxy}ethyl)trimethylazanium
CAS Registry NumberNot Available
SMILES
[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCC
InChI Identifier
InChI=1S/C39H76NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40(3,4)5)35-45-38(41)31-29-27-25-23-21-19-17-15-13-11-9-7-2/h12,14,37H,6-11,13,15-36H2,1-5H3/b14-12-/t37-/m1/s1
InChI KeyGJBNDISHQQMVJG-SVKAEJSDSA-N