Met004188: Nakinadine F

  Metabolite Information

Name
Nakinadine F
IUPAC Name
(E,2S,3R)-2-phenyl-16-pyridin-3-yl-3-[[(Z)-14-pyridin-3-yltetradec-11-enyl]amino]hexadec-13-enoic acid
Molecular Formula
C46H67N3O2
Molecular Weight
694
Exact Mass
693.5233284
SMILES
C1=CC=C(C=C1)C(C(CCCCCCCCCC=CCCC2=CN=CC=C2)NCCCCCCCCCCC=CCCC3=CN=CC=C3)C(=O)O
InChIKey
XMZHAKHAERJJSJ-IQCQHLOGSA-N
InChI
InChI=1S/C46H67N3O2/c50-46(51)45(43-33-23-20-24-34-43)44(35-25-18-14-10-6-3-5-9-13-17-22-30-42-32-28-37-48-40-42)49-38-26-19-15-11-7-2-1-4-8-12-16-21-29-41-31-27-36-47-39-41/h12-13,16-17,20,23-24,27-28,31-34,36-37,39-40,44-45,49H,1-11,14-15,18-19,21-22,25-26,29-30,35,38H2,(H,50,51)/b16-12-,17-13+/t44-,45+/m1/s1
Other Databases Link
PubChem:101842597

  Structure

  2D Structure
  3D Structure

  Classification 

(data sourced from ClassyFire)

Kingdom: Organic compounds
    Superclass: Lipids and lipid-like molecules
        Class: Fatty Acyls
            Subclass: Fatty acids and conjugates

  Crops containing this metabolite

pea
peanut

  Metabolite Spectrum Accession Label

PEA00425p
PEAN00021p