Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-19 13:47:05 UTC
Update Date2022-09-01 01:15:29 UTC
Metabolite IDMMDBc0045403
Metabolite Identification
Common NamePC(14:1(9Z)/15:1(9Z))
DescriptionPC(14:1(9Z)/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(14:1(9Z)/15:1(9Z)), in particular, consists of one 9Z-tetradecenoyl 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 FormulaC37H70NO8P
Average Mass687.94
Monoisotopic Mass687.483905216
IUPAC Nametrimethyl(2-{[(2R)-2-[(9Z)-pentadec-9-enoyloxy]-3-[(9Z)-tetradec-9-enoyloxy]propyl phosphono]oxy}ethyl)azanium
Traditional Nametrimethyl(2-{[(2R)-2-[(9Z)-pentadec-9-enoyloxy]-3-[(9Z)-tetradec-9-enoyloxy]propyl phosphono]oxy}ethyl)azanium
CAS Registry NumberNot Available
SMILES
[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCC
InChI Identifier
InChI=1S/C37H70NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-37(40)46-35(34-45-47(41,42)44-32-31-38(3,4)5)33-43-36(39)29-27-25-23-21-19-17-15-13-11-9-7-2/h13-16,35H,6-12,17-34H2,1-5H3/b15-13-,16-14-/t35-/m1/s1
InChI KeyPBZVRZXEXGGJBW-NAFNZUQFSA-N