1.0 2016-09-30 23:07:47 UTC 2020-05-21 16:28:50 UTC BMDB0004083 BMDB04083 4-(2-Amino-3-hydroxyphenyl)-2,4-dioxobutanoic acid 4-(2-Amino-3-hydroxyphenyl)-2,4-dioxobutanoic acid belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. 4-(2-Amino-3-hydroxyphenyl)-2,4-dioxobutanoic acid is possibly soluble (in water) and a strong basic compound (based on its pKa). 4-(2-Amino-3-hydroxyphenyl)-2,4-dioxobutanoic acid and L-glutamic acid can be biosynthesized from L-3-hydroxykynurenine and oxoglutaric acid through its interaction with the enzyme kynurenine/alpha-aminoadipate aminotransferase, mitochondrial. In cattle, 4-(2-amino-3-hydroxyphenyl)-2,4-dioxobutanoic acid is involved in the metabolic pathway called the tryptophan metabolism pathway. 2-Amino-3-hydroxy-alpha,gamma-dioxobenzenebutanoic acid 2-Amino-3-hydroxy-a,g-dioxobenzenebutanoate 2-Amino-3-hydroxy-a,g-dioxobenzenebutanoic acid 2-Amino-3-hydroxy-alpha,gamma-dioxobenzenebutanoate 2-Amino-3-hydroxy-α,γ-dioxobenzenebutanoate 2-Amino-3-hydroxy-α,γ-dioxobenzenebutanoic acid 4-(2-Amino-3-hydroxyphenyl)-2,4-dioxobutanoate C10H9NO5 223.1822 223.048072403 4-(2-amino-3-hydroxyphenyl)-2,4-dioxobutanoic acid 4-(2-amino-3-hydroxyphenyl)-2,4-dioxobutanoic acid 857760-67-9 NC1=C(C=CC=C1O)C(=O)CC(=O)C(O)=O InChI=1S/C10H9NO5/c11-9-5(2-1-3-6(9)12)7(13)4-8(14)10(15)16/h1-3,12H,4,11H2,(H,15,16) YCJNYHCCOXVYAF-UHFFFAOYSA-N belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Alkyl-phenylketones 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alpha-hydroxy ketones Alpha-keto acids and derivatives Amino acids Aniline and substituted anilines Aryl alkyl ketones Benzoyl derivatives Beta-diketones Butyrophenones Carboxylic acids Gamma-keto acids and derivatives Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Primary amines Vinylogous amides o-Aminophenols 1,3-dicarbonyl compound 1,3-diketone 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Alkyl-phenylketone Alpha-hydroxy ketone Alpha-keto acid Amine Amino acid Amino acid or derivatives Aminophenol Aniline or substituted anilines Aromatic homomonocyclic compound Aryl alkyl ketone Benzenoid Benzoyl Butyrophenone Carboxylic acid Carboxylic acid derivative Gamma-keto acid Hydrocarbon derivative Keto acid Monocarboxylic acid or derivatives Monocyclic benzene moiety O-aminophenol Organic nitrogen compound Organic oxide Organonitrogen compound Organopnictogen compound Phenol Primary amine Vinylogous amide Aromatic homomonocyclic compounds dioxo monocarboxylic acid Solid logp 0.273 logp 0.91 ALOGPS logs -2.50 ALOGPS logp 0.44 ChemAxon pka_strongest_acidic 1.9 ChemAxon pka_strongest_basic 3.34 ChemAxon iupac 4-(2-amino-3-hydroxyphenyl)-2,4-dioxobutanoic acid ChemAxon average_mass 223.1822 ChemAxon mono_mass 223.048072403 ChemAxon smiles NC1=C(C=CC=C1O)C(=O)CC(=O)C(O)=O ChemAxon formula C10H9NO5 ChemAxon inchi InChI=1S/C10H9NO5/c11-9-5(2-1-3-6(9)12)7(13)4-8(14)10(15)16/h1-3,12H,4,11H2,(H,15,16) ChemAxon inchikey YCJNYHCCOXVYAF-UHFFFAOYSA-N ChemAxon polar_surface_area 117.69 ChemAxon refractivity 54.83 ChemAxon polarizability 20.13 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 6 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Tryptophan Metabolism SMP0087237 Specdb::MsMs 300406 Specdb::MsMs 300407 Specdb::MsMs 300408 Specdb::MsMs 342676 Specdb::MsMs 342677 Specdb::MsMs 342678 Specdb::MsMs 2664556 Specdb::MsMs 2664557 Specdb::MsMs 2664558 Specdb::MsMs 3017706 Specdb::MsMs 3017707 Specdb::MsMs 3017708 Specdb::CMs 15537 Specdb::CMs 38709 Specdb::CMs 136251 Specdb::CMs 143985 FDB023305 389612 440741 C05645 27593 46189 BMDBP00239 Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial Q5E9N4 AADAT Enzyme