1.0 2011-09-21 00:27:48 UTC 2015-07-21 06:57:38 UTC FDB023305 4-(2-Amino-3-hydroxyphenyl)-2,4-dioxobutanoic acid 4-(2 Amino-3-hydroxyphenyl)-2,4-dioxobutanoate is found in the tryptophan metabolic pathway and is an intermediate in tryptophan degradation [Kegg: C05645]. More specifically it is an intermediate in the conversion of 3-hydroxy-L-kynurenine to xanthurenate. The conversion is catalyzed by kynurenine aminotransferase (EC 2.6.1.7). [HMDB] 4-(2-Amino-3-hydroxyphenyl)-2,4-dioxobutanoate 4-(2-Amino-3-hydroxyphenyl)-2,4-dioxobutanoic acid C10H9NO5 223.1822 223.048072403 4-(2-amino-3-hydroxyphenyl)-2,4-dioxobutanoic acid 4-(2-amino-3-hydroxyphenyl)-2,4-dioxobutanoic acid 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. Alkyl-phenylketones Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aromatic homomonocyclic compounds 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 dioxo monocarboxylic acid Solid logp 0.91 ALOGPS logs -2.50 ALOGPS solubility 7.10e-01 g/l 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 Tryptophan Metabolism SMP00063 map00380 Specdb::CMs 15537 Specdb::CMs 38709 Specdb::CMs 136251 Specdb::CMs 143985 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 HMDB04083 Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823 Kynurenine--oxoglutarate transaminase 1 Q16773 CCBL1 Kynurenine--oxoglutarate transaminase 3 Q6YP21 CCBL2 Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial Q8N5Z0 AADAT