RefMet Compound Details

MW structure	41433 (View MW Metabolite Database details)
RefMet name	Hydroxykynurenine
Systematic name	(2S)-2-amino-4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid
SMILES	c1cc(C(=O)C[C@@H](C(=O)O)N)c(c(c1)O)N   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass	224.079708 (neutral)	Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C10H12N2O4	View other entries in RefMet with this formula
InChI	InChI=1S/C10H12N2O4/c11-6(10(15)16)4-8(14)5-2-1-3-7(13)9(5)12/h1-3,6,13H,4,11-12H2,(H,15,16)/t6-/m0/s1
InChIKey	VCKPUUFAIGNJHC-LURJTMIESA-N	View other enantiomers/diastereomers of this metabolite in RefMet
Super Class	Organic acids
Main Class	Amino acids and peptides
Sub Class	Amino acids
Pubchem CID	11811
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Hydroxykynurenine

Rxn ID	KEGG Reaction	Enzyme
R01960	L-Kynurenine + Oxygen + NADPH + H+ <=> 3-Hydroxy-L-kynurenine + NADP+ + H2O	L-Kynurenine,NADPH:oxygen oxidoreductase (3-hydroxylating)
R02668	3-Hydroxy-L-kynurenine + H2O <=> 3-Hydroxyanthranilate + L-Alanine	3-Hydroxy-L-kynurenine hydrolase
R04171	3-Hydroxy-L-kynurenine + 2-Oxoglutarate <=> 4-(2-Amino-3-hydroxyphenyl)-2,4-dioxobutanoate + L-Glutamate	3-Hydroxy-L-kynurenine:2-oxoglutarate aminotransferase

Table of KEGG human pathways containing Hydroxykynurenine

Pathway ID	Human Pathway	# of reactions
hsa00380	Tryptophan metabolism	3