Met009284: PE(16:1(9Z)/0:0)
Metabolite Information
Name
PE(16:1(9Z)/0:0)
IUPAC Name
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] (Z)-hexadec-9-enoate
Molecular Formula
C21H42NO7P
Molecular Weight
451.5
Exact Mass
451.2698897
SMILES
CCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)O
InChIKey
DSOWUEHXZJUNID-WHXUGTBJSA-N
InChI
InChI=1S/C21H42NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(24)27-18-20(23)19-29-30(25,26)28-17-16-22/h7-8,20,23H,2-6,9-19,22H2,1H3,(H,25,26)/b8-7-/t20-/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
avocado
banana
chickpea
citrus
kidney_bean
mango
muskmelon
papaya
peanut
banana
chickpea
citrus
kidney_bean
mango
muskmelon
papaya
peanut
Metabolite Spectrum Accession Label