Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-19 14:03:58 UTC
Update Date2022-09-01 01:19:26 UTC
Metabolite IDMMDBc0045756
Metabolite Identification
Common NamePE-NMe(16:1(9Z)/18:1(9Z))
DescriptionPE-NMe(16:1(9Z)/18:1(9Z)) 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(16:1(9Z)/18:1(9Z)), in particular, consists of one 9Z-hexadecenoyl chain to the C-1 atom, and one 9Z-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
Synonyms
ValueSource
MonomethylphosphatidylethanolamineMetBuilder, HMDB
Monomethylphosphatidylethanolamine(16:1(9Z)/18:1(9Z))MetBuilder, HMDB
Molecular FormulaC40H76NO8P
Average Mass730.021
Monoisotopic Mass729.530855409
IUPAC Name{3-[(9Z)-hexadec-9-enoyloxy]-2-[(9Z)-octadec-9-enoyloxy]propoxy}[2-(methylamino)ethoxy]phosphinic acid
Traditional Name3-[(9Z)-hexadec-9-enoyloxy]-2-[(9Z)-octadec-9-enoyloxy]propoxy(2-(methylamino)ethoxy)phosphinic acid
CAS Registry NumberNot Available
SMILES
[H]C(COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCNC)OC(=O)CCCCCCC\C=C/CCCCCCCC
InChI Identifier
InChI=1S/C40H76NO8P/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41-3)36-46-39(42)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2/h15,17-19,38,41H,4-14,16,20-37H2,1-3H3,(H,44,45)/b17-15-,19-18-
InChI KeyXNJQCBSHMDWHHT-FESQGUELSA-N