Met009117: Phosphatidylethanolamine 18:2-18:2
Metabolite Information
Name
Phosphatidylethanolamine 18:2-18:2
IUPAC Name
[3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(4Z,7Z)-octadeca-4,7-dienoyl]oxypropyl] (4Z,7Z)-octadeca-4,7-dienoate
Molecular Formula
C41H74NO8P
Molecular Weight
740
Exact Mass
739.5152053
SMILES
CCCCCCCCCCC=CCC=CCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCC=CCC=CCCCCCCCCCC
InChIKey
WDBJINMJHHHMJV-WRGXGLASSA-N
InChI
InChI=1S/C41H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h21-24,27-30,39H,3-20,25-26,31-38,42H2,1-2H3,(H,45,46)/b23-21-,24-22-,29-27-,30-28-
Other Databases Link
Structure
2D Structure
3D Structure
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Lipids and lipid-like molecules
Class:
Glycerophospholipids
Subclass:
Glycerophosphoethanolamines
Crops containing this metabolite
cowpea
kidney_bean
kidney_bean
Metabolite Spectrum Accession Label