input word = C00000117

Metabolite InformationStructural formula
Name Indole-3-acetyl-L-aspartic acid
Formula C14H14N2O5
Mw 290.09027157
CAS RN 2456-73-7
C_ID C00000117 ,
InChIKey VAFNMNRKDDAKRM-UHFFFAOYNA-N
InChICode InChI=1S/C14H14N2O5/c17-12(16-11(14(20)21)6-13(18)19)5-8-7-15-10-4-2-1-3-9(8)10/h1-4,7,11,15H,5-6H2,(H,16,17)(H,18,19)(H,20,21)/t11-/m1/s1
SMILES c1ccc2c(c1)c(c[nH]2)CC(=O)N[C@H](CC(=O)O)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
PlantaeFabaceaeGlycine max. Ref.
PlantaeFabaceaeLupinus angustifolius Ref.
PlantaeMagnoliaceaeMagnolia sp. Ref.
PlantaePapaveraceaePapaver somniferum Ref.
PlantaeSolanaceaeSolanum lycopersicum Ref.
--Gleditschia triacanthos Ref.
zoom in