RefMet Compound Details

MW structure78551 (View MW Metabolite Database details)
RefMet name5-Hydroxy-N-formylkynurenine
Systematic name2-amino-4-(2-formamido-5-hydroxy-phenyl)-4-oxo-butanoic acid
SMILESNC(CC(=O)c1cc(O)ccc1NC=O)C(O)=O
Exact mass252.074623 (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
FormulaC11H12N2O5View other entries in RefMet with this formula
InChIInChI=1S/C11H12N2O5/c12-8(11(17)18)4-10(16)7-3-6(15)1-2-9(7)13-5-14/h1-3,5,8,15H,4,12H2,(H,13,14)(H,17,18)
InChIKeyLSTOUSIIVKMJBU-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic oxygen compounds
Main ClassCarbonyl compounds
Sub ClassKetones
Pubchem CID440744
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving 5-Hydroxy-N-formylkynurenine

Rxn IDKEGG ReactionEnzyme
R02702 5-Hydroxy-L-tryptophan + Oxygen <=> 5-Hydroxy-N-formylkynurenine5-hydroxy-L-tryptophan:oxygen 2,3-dioxygenase (indole-decyclizing)
R04911 5-Hydroxy-N-formylkynurenine + H2O <=> 5-Hydroxykynurenine + FormateAryl-formylamine amidohydrolase

Table of KEGG human pathways containing 5-Hydroxy-N-formylkynurenine

Pathway IDHuman Pathway# of reactions
hsa00380 Tryptophan metabolism 2
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