Met005166: PE(16:0/18:2)
Metabolite Information
Name
PE(16:0/18:2)
IUPAC Name
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-hexadecanoyloxypropan-2-yl] (9Z,12Z)-octadeca-9,12-dienoate
Molecular Formula
C39H74NO8P
Molecular Weight
716
Exact Mass
715.5152053
SMILES
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCC=CCC=CCCCCC
InChIKey
HBZNVZIRJWODIB-NHCUFCNUSA-N
InChI
InChI=1S/C39H74NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,37H,3-10,12,14-16,19-36,40H2,1-2H3,(H,43,44)/b13-11-,18-17-/t37-/m1/s1
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
chickpea
Metabolite Spectrum Accession Label