1.0 2011-09-21 01:51:20 UTC 2017-03-11 23:00:50 UTC FDB029180 5-Hydroxykynurenine 5-Hydroxykynurenine is found in the tryptophan metabolism pathway. It is created from 5-Hydroxy-N-formylkynurenine through the action of arylformamidase [EC:3.5.1.9]. 5-Hydroxykynurenine is then converted to 5-Hydroxykynurenamine by the action of dopa decarboxylase [EC:4.1.1.28]. [HMDB] 5-Hydroxy-L-kynurenine C10H12N2O4 224.2133 224.079706882 2-amino-4-(2-amino-5-hydroxyphenyl)-4-oxobutanoic acid 5-hydroxykynurenine 720-00-3 NC(CC(=O)C1=C(N)C=CC(O)=C1)C(O)=O InChI=1S/C10H12N2O4/c11-7-2-1-5(13)3-6(7)9(14)4-8(12)10(15)16/h1-3,8,13H,4,11-12H2,(H,15,16) OTDQYOVYQQZAJL-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 Alpha amino acids Amino acids Aniline and substituted anilines Aryl alkyl ketones Benzoyl derivatives Beta-amino ketones Butyrophenones Carboxylic acids Gamma-keto acids and derivatives Hydrocarbon derivatives Monoalkylamines Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Vinylogous amides p-Aminophenols 1-hydroxy-2-unsubstituted benzenoid Alkyl-phenylketone Alpha-amino acid Alpha-amino acid or derivatives Amine Amino acid Amino acid or derivatives Aminophenol Aniline or substituted anilines Aromatic homomonocyclic compound Aryl alkyl ketone Benzenoid Benzoyl Beta-aminoketone Butyrophenone Carboxylic acid Carboxylic acid derivative Gamma-keto acid Hydrocarbon derivative Keto acid Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic nitrogen compound Organic oxide Organonitrogen compound Organopnictogen compound P-aminophenol Phenol Primary aliphatic amine Primary amine Vinylogous amide hydroxykynurenine Solid logp -2.17 ALOGPS logs -1.86 ALOGPS solubility 3.12e+00 g/l ALOGPS logp -2.2 ChemAxon pka_strongest_acidic 0.98 ChemAxon pka_strongest_basic 8.91 ChemAxon iupac 2-amino-4-(2-amino-5-hydroxyphenyl)-4-oxobutanoic acid ChemAxon average_mass 224.2133 ChemAxon mono_mass 224.079706882 ChemAxon smiles NC(CC(=O)C1=C(N)C=CC(O)=C1)C(O)=O ChemAxon formula C10H12N2O4 ChemAxon inchi InChI=1S/C10H12N2O4/c11-7-2-1-5(13)3-6(7)9(14)4-8(12)10(15)16/h1-3,8,13H,4,11-12H2,(H,15,16) ChemAxon inchikey OTDQYOVYQQZAJL-UHFFFAOYSA-N ChemAxon polar_surface_area 126.64 ChemAxon refractivity 57.03 ChemAxon polarizability 21.53 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Tryptophan Metabolism SMP00063 map00380 Specdb::CMs 23292 Specdb::CMs 39997 Specdb::CMs 154442 Specdb::NmrOneD 97838 Specdb::NmrOneD 97839 Specdb::NmrOneD 97840 Specdb::NmrOneD 97841 Specdb::NmrOneD 97842 Specdb::NmrOneD 97843 Specdb::NmrOneD 97844 Specdb::NmrOneD 97845 Specdb::NmrOneD 97846 Specdb::NmrOneD 97847 Specdb::NmrOneD 97848 Specdb::NmrOneD 97849 Specdb::NmrOneD 97850 Specdb::NmrOneD 97851 Specdb::NmrOneD 97852 Specdb::NmrOneD 97853 Specdb::NmrOneD 97854 Specdb::NmrOneD 97855 Specdb::NmrOneD 97856 Specdb::NmrOneD 97857 Specdb::MsMs 317668 Specdb::MsMs 317669 Specdb::MsMs 317670 Specdb::MsMs 364192 Specdb::MsMs 364193 Specdb::MsMs 364194 Specdb::MsMs 3046765 Specdb::MsMs 3046766 Specdb::MsMs 3046767 Specdb::MsMs 3096328 Specdb::MsMs 3096329 Specdb::MsMs 3096330 HMDB12819 2076 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 Aromatic-L-amino-acid decarboxylase P20711 DDC