{"ymdb_id":"YMDB00007","created_at":"2011-05-29T15:47:51.000Z","updated_at":"2016-09-08T18:34:53.000Z","name":"Quinolinic acid","cas":"89-00-9","state":"Solid","melting_point":"190 oC","description":"Quinolinic acid is a dicarboxylic acid. It is formed from the metabolism of tryptophan in the kynurenine pathway. Quinolinic acid is used in the formation of NAD.","experimental_water_solubility":"11 mg/mL at 25 oC [YALKOWSKY,SH \u0026 HE,Y (2003)]","experimental_logp_hydrophobicity":"","location":"Cytoplasm, Nucleus","synthesis_reference":"Akhmerova, S. G.; Islamgulova, V. R.; Koksharov, V. G.; Sapozhnikov, Yu. E.; Manaeva, R. M.  Methods of preparation of quinolinic acid.    Bashkirskii Khimicheskii Zhurnal  (2001),  8(2),  9-14.","chebi_id":"16675","hmdb_id":"HMDB00232","kegg_id":"C03722","pubchem_id":"1066","cs_id":"1037","foodb_id":null,"wikipedia_link":"Quinolinic_acid","biocyc_id":"QUINOLINATE","iupac":"pyridine-2,3-dicarboxylic acid","traditional_iupac":"quinolinic acid","logp":"-1.0261279053302073","pka":"4.095867548424451","alogps_solubility":"4.07e+00 g/l","alogps_logp":"0.15","alogps_logs":"-1.61","acceptor_count":"5","donor_count":"2","rotatable_bond_count":"2","polar_surface_area":"87.49000000000001","refractivity":"38.0415","polarizability":"14.34239790996518","formal_charge":"0","physiological_charge":"-2","pka_strongest_basic":"5.743217331848265","pka_strongest_acidic":"0.30900716364465675","bioavailability":"1","number_of_rings":"1","rule_of_five":"1","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["2,3-pyridinedicarboxylate","2,3-pyridinedicarboxylic acid","3,4-Pyridinedicarboxylic acid","Pyridin-2,3-dicarbonsaeure","pyridine-2,3-carboxylate","Pyridine-2,3-dicarboxylate","Pyridine-2,3-dicarboxylic acid","Pyridine-3,4-dicarboxylic acid","Quinolinate","Quinolinic acid","Quinolinic acid, copper(2+) salt","Quinolinic acid, disodium salt","Quinolinic acid, strontium salt"],"pathways":[{"name":"Nicotinate and nicotinamide metabolism","kegg_map_id":"00760"},{"name":"Tryptophan metabolism","kegg_map_id":"00380"},{"name":"beta-Alanine metabolism","kegg_map_id":"00410"},{"name":"NAD metabolism","kegg_map_id":null}],"growth_conditions":[],"references":[{"pubmed_id":21051339,"citation":"UniProt Consortium (2011). \"Ongoing and future developments at the Universal Protein Resource.\" Nucleic Acids Res 39:D214-D219."},{"pubmed_id":18846089,"citation":"Herrgard, M. J., Swainston, N., Dobson, P., Dunn, W. B., Arga, K. Y., Arvas, M., Bluthgen, N., Borger, S., Costenoble, R., Heinemann, M., Hucka, M., Le Novere, N., Li, P., Liebermeister, W., Mo, M. L., Oliveira, A. P., Petranovic, D., Pettifer, S., Simeonidis, E., Smallbone, K., Spasic, I., Weichart, D., Brent, R., Broomhead, D. S., Westerhoff, H. V., Kirdar, B., Penttila, M., Klipp, E., Palsson, B. O., Sauer, U., Oliver, S. G., Mendes, P., Nielsen, J., Kell, D. B. (2008). \"A consensus yeast metabolic network reconstruction obtained from a community approach to systems biology.\" Nat Biotechnol 26:1155-1160."},{"pubmed_id":12062417,"citation":"Panozzo, C., Nawara, M., Suski, C., Kucharczyka, R., Skoneczny, M., Becam, A. M., Rytka, J., Herbert, C. J. (2002). \"Aerobic and anaerobic NAD+ metabolism in Saccharomyces cerevisiae.\" FEBS Lett 517:97-102."},{"pubmed_id":18321072,"citation":"di Luccio, E., Wilson, D. K. (2008). \"Comprehensive X-ray structural studies of the quinolinate phosphoribosyl transferase (BNA6) from Saccharomyces cerevisiae.\" Biochemistry 47:4039-4050."}],"proteins":[{"created_at":"2011-05-26T17:48:34.000Z","updated_at":"2011-05-27T15:01:02.000Z","name":"Nicotinate-nucleotide pyrophosphorylase [carboxylating]","uniprot_id":"P43619","uniprot_name":"NADC_YEAST","enzyme":true,"transporter":false,"gene_name":"BNA6","num_residues":295,"molecular_weight":"32364.69922","theoretical_pi":"5.64","general_function":"Involved in catalytic activity","specific_function":"Involved in the catabolism of quinolinic acid (QA)","reactions":[{"id":1780,"direction":"\u003e","locations":"mitochondrion;cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2484,"direction":"\u003e","locations":"Cytoplasm. Nucleus","altext":"Nicotinate D-ribonucleotide + diphosphate + CO(2) = pyridine-2,3-dicarboxylate + 5-phospho-alpha-D-ribose 1-diphosphate.","export":false,"pw_reaction_id":null,"source":null},{"id":4180,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006480","source":"Smpdb"}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":"Cytoplasm. Nucleus","genbank_gene_id":null,"genbank_protein_id":null,"gene_card_id":"BNA6","chromosome_location":"chromosome 6","locus":"YFR047C","synonyms":["Quinolinate phosphoribosyltransferase [decarboxylating]","QAPRTase"],"enzyme_classes":["2.4.2.19"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" nicotinate-nucleotide diphosphorylase (carboxylating) activity"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" transferase activity"},{"category":"Function","description":" transferase activity, transferring glycosyl groups"},{"category":"Function","description":" transferase activity, transferring pentosyl groups"},{"category":"Process","description":" pyridine nucleotide biosynthetic process"},{"category":"Process","description":" nicotinamide nucleotide biosynthetic process"},{"category":"Process","description":" NAD biosynthetic process"},{"category":"Process","description":" metabolic process"},{"category":"Process","description":" cellular metabolic process"},{"category":"Process","description":" cofactor metabolic process"},{"category":"Process","description":" coenzyme metabolic process"},{"category":"Process","description":" coenzyme biosynthetic process"}],"pfams":[{"name":"QRPTase_C","identifier":"PF01729"},{"name":"QRPTase_N","identifier":"PF02749"}],"pathways":[{"name":"Nicotinate and nicotinamide metabolism","kegg_map_id":"00760"},{"name":"NAD metabolism","kegg_map_id":null}],"gene_sequence":"ATGCCTGTTTATGAACACTTATTGCCCGTTAATGGAGCATGGAGACAAGACGTCACCAATTGGCTGAGCGAGGACGTTCCTTCTTTTGATTTTGGTGGATATGTTGTTGGTTCCGACCTAAAGGAGGCCAATTTGTACTGTAAGCAGGATGGTATGCTGTGTGGTGTCCCCTTTGCGCAAGAAGTCTTTAATCAGTGCGAATTGCAAGTTGAGTGGTTGTTTAAGGAAGGCTCCTTCTTGGAGCCTTCGAAGAATGACTCTGGTAAGATTGTTGTAGCTAAAATTACTGGGCCCGCTAAAAACATTCTATTAGCTGAAAGAACCGCCTTGAACATCCTTAGTAGAAGTAGTGGAATTGCCACCGCCTCACATAAGATAATCAGTTTGGCGCGTTCGACTGGTTACAAGGGGACCATTGCGGGGACAAGAAAGACTACACCAGGTTTACGTAGATTAGAAAAGTATTCCATGCTTGTAGGTGGCTGCGACACGCACAGATACGACCTTTCCTCTATGGTCATGCTCAAAGATAATCATATTTGGGCTACTGGTTCTATAACAAACGCAGTTAAGAACGCCAGGGCCGTGTGCGGGTTTGCTGTGAAGATCGAAGTGGAGTGTTTGAGTGAAGATGAAGCCACAGAGGCCATTGAAGCTGGTGCAGACGTTATCATGTTGGATAATTTCAAAGGTGACGGTTTGAAAATGTGCGCCCAAAGTCTTAAGAACAAATGGAATGGTAAAAAGCATTTCCTCTTGGAATGTAGTGGAGGCTTGAATTTGGACAACCTCGAGGAGTATTTGTGCGATGACATTGACATTTACAGCACTAGTAGCATTCATCAAGGCACACCAGTGATTGATTTCTCATTGAAACTGGCTCATTGA","protein_sequence":"MPVYEHLLPVNGAWRQDVTNWLSEDVPSFDFGGYVVGSDLKEANLYCKQDGMLCGVPFAQEVFNQCELQVEWLFKEGSFLEPSKNDSGKIVVAKITGPAKNILLAERTALNILSRSSGIATASHKIISLARSTGYKGTIAGTRKTTPGLRRLEKYSMLVGGCDTHRYDLSSMVMLKDNHIWATGSITNAVKNARAVCGFAVKIEVECLSEDEATEAIEAGADVIMLDNFKGDGLKMCAQSLKNKWNGKKHFLLECSGGLNLDNLEEYLCDDIDIYSTSSIHQGTPVIDFSLKLAH"}]}