1.0 2016-09-30 23:07:49 UTC 2020-05-21 16:28:50 UTC BMDB0004086 BMDB04086 5-Hydroxy-N-formylkynurenine 5-Hydroxy-N-formylkynurenine 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. 5-Hydroxy-N-formylkynurenine is possibly soluble (in water) and a very strong basic compound (based on its pKa). 5-Hydroxy-N-formylkynurenine participates in a number of enzymatic reactions, within cattle. In particular, 5-Hydroxy-N-formylkynurenine can be converted into 5-hydroxykynurenine and formic acid through the action of the enzyme kynurenine formamidase. In addition, 5-Hydroxy-N-formylkynurenine can be biosynthesized from 5-hydroxy-L-tryptophan; which is catalyzed by the enzyme indoleamine 2,3-dioxygenase 1. In cattle, 5-hydroxy-N-formylkynurenine is involved in the metabolic pathway called the tryptophan metabolism pathway. C11H12N2O5 252.2234 252.074621504 2-amino-4-(2-formamido-5-hydroxyphenyl)-4-oxobutanoic acid 5-hydroxy-N-formylkynurenine NC(CC(=O)C1=C(NC=O)C=CC(O)=C1)C(O)=O InChI=1S/C11H12N2O5/c12-8(11(17)18)4-10(16)7-3-6(15)1-2-9(7)13-5-14/h1-3,5,8,15H,4,12H2,(H,13,14)(H,17,18) LSTOUSIIVKMJBU-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 Alpha amino acids Amino acids Anilides Aryl alkyl ketones Benzoyl derivatives Beta-amino ketones Butyrophenones Carboxylic acids Gamma-keto acids and derivatives Hydrocarbon derivatives Monoalkylamines Monocarboxylic acids and derivatives N-arylamides Organic oxides Organopnictogen compounds Secondary carboxylic acid amides Vinylogous amides 1-hydroxy-2-unsubstituted benzenoid Alkyl-phenylketone Alpha-amino acid Alpha-amino acid or derivatives Amine Amino acid Amino acid or derivatives Anilide Aromatic homomonocyclic compound Aryl alkyl ketone Benzenoid Benzoyl Beta-aminoketone Butyrophenone Carboxamide group Carboxylic acid Carboxylic acid derivative Gamma-keto acid Hydrocarbon derivative Keto acid Monocarboxylic acid or derivatives Monocyclic benzene moiety N-arylamide Organic nitrogen compound Organic oxide Organonitrogen compound Organopnictogen compound Phenol Primary aliphatic amine Primary amine Secondary carboxylic acid amide Vinylogous amide Aromatic homomonocyclic compounds non-proteinogenic alpha-amino acid Solid logp -2.532 logp -1.98 ALOGPS logs -2.08 ALOGPS logp -2.2 ChemAxon pka_strongest_acidic 1.39 ChemAxon pka_strongest_basic 9.27 ChemAxon iupac 2-amino-4-(2-formamido-5-hydroxyphenyl)-4-oxobutanoic acid ChemAxon average_mass 252.2234 ChemAxon mono_mass 252.074621504 ChemAxon smiles NC(CC(=O)C1=C(NC=O)C=CC(O)=C1)C(O)=O ChemAxon formula C11H12N2O5 ChemAxon inchi InChI=1S/C11H12N2O5/c12-8(11(17)18)4-10(16)7-3-6(15)1-2-9(7)13-5-14/h1-3,5,8,15H,4,12H2,(H,13,14)(H,17,18) ChemAxon inchikey LSTOUSIIVKMJBU-UHFFFAOYSA-N ChemAxon polar_surface_area 129.72 ChemAxon refractivity 62.7 ChemAxon polarizability 23.39 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge 0 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::CMs 17857 Specdb::CMs 38711 Specdb::CMs 152452 Specdb::MsMs 305551 Specdb::MsMs 305552 Specdb::MsMs 305553 Specdb::MsMs 348985 Specdb::MsMs 348986 Specdb::MsMs 348987 Specdb::MsMs 2833755 Specdb::MsMs 2833756 Specdb::MsMs 2833757 Specdb::MsMs 2871194 Specdb::MsMs 2871195 Specdb::MsMs 2871196 Specdb::NmrOneD 149780 Specdb::NmrOneD 149781 Specdb::NmrOneD 149782 Specdb::NmrOneD 149783 Specdb::NmrOneD 149784 Specdb::NmrOneD 149785 Specdb::NmrOneD 149786 Specdb::NmrOneD 149787 Specdb::NmrOneD 149788 Specdb::NmrOneD 149789 Specdb::NmrOneD 149790 Specdb::NmrOneD 149791 Specdb::NmrOneD 149792 Specdb::NmrOneD 149793 Specdb::NmrOneD 149794 Specdb::NmrOneD 149795 Specdb::NmrOneD 149796 Specdb::NmrOneD 149797 Specdb::NmrOneD 149798 Specdb::NmrOneD 149799 440744 FDB023307 389615 C05648 2065 46195 BMDBP02929 Kynurenine formamidase E1BLL5 AFMID Enzyme