{"ymdb_id":"YMDB01725","created_at":"2011-08-31T03:39:44.000Z","updated_at":"2016-09-08T18:37:03.000Z","name":"Kynurenic acid","cas":"492-27-3","state":"Solid","melting_point":"280 oC","description":"Kynurenic acid is known as a product of the normal metabolism of amino acid L-tryptophan in mammals. In many eukaryotes, tryptophan is used for the synthesis of the enzymatic cofactor NAD+. A putative kynurenine aminotransferase (Bna3p), which converts L-kynurenine to kynurenic acid, has been identified in S. cerevisiae. [Biocyc PWY-6309] [PMID: 18205391]","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":"18344","hmdb_id":"HMDB00715","kegg_id":"C01717","pubchem_id":"3845","cs_id":"3712","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"4-oxo-1,4-dihydroquinoline-2-carboxylic acid","traditional_iupac":"acid, kynurenic","logp":"1.5775564513333333","pka":"11.430451481237121","alogps_solubility":"9.54e-01 g/l","alogps_logp":"1.16","alogps_logs":"-2.30","acceptor_count":"4","donor_count":"2","rotatable_bond_count":"1","polar_surface_area":"66.4","refractivity":"52.324000000000005","polarizability":"18.04775467429836","formal_charge":"0","physiological_charge":"-1","pka_strongest_basic":"-4.369517156660836","pka_strongest_acidic":"3.1660666326673232","bioavailability":"1","number_of_rings":"2","rule_of_five":"1","ghose_filter":"1","veber_rule":"0","mddr_like_rule":"0","synonyms":["2-Carboxy-4-hydroxyquinoline","2-Quinolinecarboxylic acid, 4-hydroxy-","4-Hydroxy-2-chinolincarbonsaeure","4-hydroxy-2-quinolinecarboxylic acid","4-hydroxy-Quinaldate","4-hydroxy-Quinaldic acid","4-Hydroxyquinaldate","4-Hydroxyquinaldic acid","4-Hydroxyquinaldinate","4-Hydroxyquinaldinic acid","4-Hydroxyquinoline-2-carboxylate","4-Hydroxyquinoline-2-carboxylic acid","Kinurenic acid","kynurenate","Kynurenic acid","Kynurensaeure","Kynuronic acid","Quinaldic acid, 4-hydroxy-","Quinurenic acid","TRANSTORINE"],"pathways":[],"growth_conditions":[],"references":[{"pubmed_id":19889834,"citation":"Boer, V. M., Crutchfield, C. A., Bradley, P. H., Botstein, D., Rabinowitz, J. D. (2010). \"Growth-limiting intracellular metabolites in yeast growing under diverse nutrient limitations.\" Mol Biol Cell 21:198-211."}],"proteins":[]}