1.0 2011-09-21 00:14:46 UTC 2015-07-21 06:57:14 UTC FDB022486 N'-Formylkynurenine Plays an especially improtant role in photobiological responses. The excited states of N-formylkynurenine react to produce hydroxyl radicals. [HMDB] 3-(2-Formamidobenzoyl)alanine 3-(N-formylanthraniloyl)-Alanine alpha-amino-2-(formylamino)-gamma-oxo-Benzenebutanoate alpha-amino-2-(formylamino)-gamma-oxo-Benzenebutanoic acid Formylkynurenine N-formyl-D-kynurenine N-formyl-delta-kynurenine N-Formyl-L-kynurenine N-Formylkynurenine N'-formyl-Kynurenine N'-Formylkynurenine C11H12N2O4 236.224 236.079706882 2-amino-4-(2-formamidophenyl)-4-oxobutanoic acid N-formylkynurenine 1022-31-7 NC(CC(=O)C1=CC=CC=C1NC=O)C(O)=O InChI=1S/C11H12N2O4/c12-8(11(16)17)5-10(15)7-3-1-2-4-9(7)13-6-14/h1-4,6,8H,5,12H2,(H,13,14)(H,16,17) BYHJHXPTQMMKCA-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 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 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 Primary aliphatic amine Primary amine Secondary carboxylic acid amide Vinylogous amide non-proteinogenic alpha-amino acid non-proteinogenic amino acid derivative Solid logp -1.85 ALOGPS logs -2.35 ALOGPS solubility 1.05e+00 g/l ALOGPS logp -1.9 ChemAxon pka_strongest_acidic 1.65 ChemAxon pka_strongest_basic 8.96 ChemAxon iupac 2-amino-4-(2-formamidophenyl)-4-oxobutanoic acid ChemAxon average_mass 236.224 ChemAxon mono_mass 236.079706882 ChemAxon smiles NC(CC(=O)C1=CC=CC=C1NC=O)C(O)=O ChemAxon formula C11H12N2O4 ChemAxon inchi InChI=1S/C11H12N2O4/c12-8(11(16)17)5-10(15)7-3-1-2-4-9(7)13-6-14/h1-4,6,8H,5,12H2,(H,13,14)(H,16,17) ChemAxon inchikey BYHJHXPTQMMKCA-UHFFFAOYSA-N ChemAxon polar_surface_area 109.49 ChemAxon refractivity 60.72 ChemAxon polarizability 23.06 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Tryptophan Metabolism SMP00063 map00380 Specdb::CMs 2409 Specdb::CMs 37971 Specdb::CMs 157755 Specdb::MsMs 178086 Specdb::MsMs 178087 Specdb::MsMs 178088 Specdb::MsMs 180399 Specdb::MsMs 180400 Specdb::MsMs 180401 Specdb::MsMs 2807969 Specdb::MsMs 2807970 Specdb::MsMs 2807971 Specdb::MsMs 2897799 Specdb::MsMs 2897800 Specdb::MsMs 2897801 Specdb::NmrOneD 21462 Specdb::NmrOneD 21463 Specdb::NmrOneD 21464 Specdb::NmrOneD 21465 Specdb::NmrOneD 21466 Specdb::NmrOneD 21467 Specdb::NmrOneD 21468 Specdb::NmrOneD 21469 Specdb::NmrOneD 21470 Specdb::NmrOneD 21471 Specdb::NmrOneD 21472 Specdb::NmrOneD 21473 Specdb::NmrOneD 21474 Specdb::NmrOneD 21475 Specdb::NmrOneD 21476 Specdb::NmrOneD 21477 Specdb::NmrOneD 21478 Specdb::NmrOneD 21479 Specdb::NmrOneD 21480 Specdb::NmrOneD 21481 HMDB01200 18377 #<Reference:0x0000561273614780> 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