Met005085: N-Malonyltryptophan
Metabolite Information
Name
N-Malonyltryptophan
IUPAC Name
2-[(2-carboxyacetyl)amino]-3-(1H-indol-3-yl)propanoic acid
Molecular Formula
C14H14N2O5
Molecular Weight
290.27
Exact Mass
290.0902716
SMILES
C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)CC(=O)O
InChIKey
OVEAWSPZRGBTSS-UHFFFAOYSA-N
InChI
InChI=1S/C14H14N2O5/c17-12(6-13(18)19)16-11(14(20)21)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)
Other Databases Link
Structure
2D Structure
3D Structure
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Organic acids and derivatives
Class:
Carboxylic acids and derivatives
Subclass:
Amino acids, peptides, and analogues
Crops containing this metabolite
soybean
morus
adzuki_bean
avocado
bittermelon
blueberry
broad_bean
cowpea
ginger
kidney_bean
mung_bean
pea
peanut
tomato
morus
adzuki_bean
avocado
bittermelon
blueberry
broad_bean
cowpea
ginger
kidney_bean
mung_bean
pea
peanut
tomato
Metabolite Spectrum Accession Label