Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-19 14:03:23 UTC
Update Date2022-09-01 01:19:16 UTC
Metabolite IDMMDBc0045744
Metabolite Identification
Common NamePE-NMe(15:1(11Z)/18:1(11Z))
DescriptionPE-NMe(15:1(11Z)/18:1(11Z)) is a monomethylphosphatidylethanolamine. It is a glycerophospholipid, and is formed by sequential methylation of phosphatidylethanolamine as part of a mechanism for biosynthesis of phosphatidylcholine. Monomethylphosphatidylethanolamines are usually found at trace levels in animal or plant tissues. They can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. PE-NMe(15:1(11Z)/18:1(11Z)), in particular, consists of one 11Z-pentadecenoyl chain to the C-1 atom, and one 11Z-octadecenoyl to the C-2 atom. Fatty acids containing 16, 18 and 20 carbons are the most common. Phospholipids, are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling.
Structure
SynonymsNot Available
Molecular FormulaC39H74NO8P
Average Mass715.994
Monoisotopic Mass715.515205345
IUPAC Name[2-(methylamino)ethoxy]({2-[(11Z)-octadec-11-enoyloxy]-3-[(11Z)-pentadec-11-enoyloxy]propoxy})phosphinic acid
Traditional Name2-(methylamino)ethoxy(2-[(11Z)-octadec-11-enoyloxy]-3-[(11Z)-pentadec-11-enoyloxy]propoxy)phosphinic acid
CAS Registry NumberNot Available
SMILES
[H]C(COC(=O)CCCCCCCCC\C=C/CCC)(COP(O)(=O)OCCNC)OC(=O)CCCCCCCCC\C=C/CCCCCC
InChI Identifier
InChI=1S/C39H74NO8P/c1-4-6-8-10-12-14-16-18-19-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40-3)35-45-38(41)31-29-27-25-23-21-17-15-13-11-9-7-5-2/h9,11,14,16,37,40H,4-8,10,12-13,15,17-36H2,1-3H3,(H,43,44)/b11-9-,16-14-
InChI KeyWNVJPCJXAPRADA-PKBMPLIDSA-N