RefMet Compound Details

MW structure37365 (View MW Metabolite Database details)
RefMet nameKynurenine
Systematic name(2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid
SMILESNc1ccccc1C(=O)C[C@H](N)C(=O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass208.084793 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC10H12N2O3View other entries in RefMet with this formula
InChIInChI=1S/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15)/t8-/m0/s1
InChIKeyYGPSJZOEDVAXAB-QMMMGPOBSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassAmino acids
Pubchem CID161166
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Kynurenine

Rxn IDKEGG ReactionEnzyme
R01960 L-Kynurenine + Oxygen + NADPH + H+ <=> 3-Hydroxy-L-kynurenine + NADP+ + H2OL-Kynurenine,NADPH:oxygen oxidoreductase (3-hydroxylating)
R00987 L-Kynurenine + H2O <=> Anthranilate + L-AlanineL-Kynurenine hydrolase
R01959 L-Formylkynurenine + H2O <=> Formate + L-KynurenineN-Formyl-L-kynurenine amidohydrolase
R01956 L-Kynurenine + 2-Oxoglutarate <=> 4-(2-Aminophenyl)-2,4-dioxobutanoate + L-GlutamateL-Kynurenine:2-oxoglutarate aminotransferase

Table of KEGG human pathways containing Kynurenine

Pathway IDHuman Pathway# of reactions
hsa00380 Tryptophan metabolism 4
hsa00630 Glyoxylate and dicarboxylate metabolism 1
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