RefMet Compound Details

RefMet ID	RM0132226
MW structure	37365 (View MW Metabolite Database details)
RefMet name	Kynurenine
Systematic name	(2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid
SMILES	c1ccc(c(c1)C(=O)C[C@@H](C(=O)O)N)N   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass	208.084793 (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	C10H12N2O3	View other entries in RefMet with this formula
InChI	InChI=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
InChIKey	YGPSJZOEDVAXAB-QMMMGPOBSA-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	161166
ChEBI ID	16946
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Kynurenine

Rxn ID	KEGG Reaction	Enzyme
R00987	L-Kynurenine + H2O <=> Anthranilate + L-Alanine	L-Kynurenine hydrolase
R01956	L-Kynurenine + 2-Oxoglutarate <=> 4-(2-Aminophenyl)-2,4-dioxobutanoate + L-Glutamate	L-Kynurenine:2-oxoglutarate aminotransferase
R01959	L-Formylkynurenine + H2O <=> Formate + L-Kynurenine	N-Formyl-L-kynurenine amidohydrolase
R01960	L-Kynurenine + Oxygen + NADPH + H+ <=> 3-Hydroxy-L-kynurenine + NADP+ + H2O	L-Kynurenine,NADPH:oxygen oxidoreductase (3-hydroxylating)

Table of KEGG human pathways containing Kynurenine

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