1.0 2016-09-30 22:27:08 UTC 2020-05-19 22:01:30 UTC BMDB0000232 BMDB00232 Quinolinic acid Quinolinic acid, also known as quinolinic acid, belongs to the class of organic compounds known as pyridinecarboxylic acids. Pyridinecarboxylic acids are compounds containing a pyridine ring bearing a carboxylic acid group. Quinolinic acid exists as a solid, possibly soluble (in water), and a very strong basic compound (based on its pKa) molecule. Quinolinic acid exists in all living species, ranging from bacteria to humans. Quinolinic acid and phosphoribosyl pyrophosphate can be biosynthesized from nicotinic acid mononucleotide through the action of the enzyme nicotinate-nucleotide pyrophosphorylase [carboxylating]. In cattle, quinolinic acid is involved in a couple of metabolic pathways, which include the tryptophan metabolism pathway and the nicotinate and nicotinamide metabolism pathway. 2,3-Pyridinedicarboxylic acid Pyridine-2,3-dicarboxylate 2,3-Pyridinedicarboxylate Quinolinate Pyridine-2,3-dicarboxylic acid 3,4-Pyridinedicarboxylic acid Pyridin-2,3-dicarbonsaeure Pyridine-2,3-carboxylate Quinolinic acid C7H5NO4 167.1189 167.021857653 pyridine-2,3-dicarboxylic acid quinolinic acid 89-00-9 OC(=O)C1=CC=CN=C1C(O)=O InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12) GJAWHXHKYYXBSV-UHFFFAOYSA-N belongs to the class of organic compounds known as pyridinecarboxylic acids. Pyridinecarboxylic acids are compounds containing a pyridine ring bearing a carboxylic acid group. Organic compounds Organoheterocyclic compounds Pyridines and derivatives Pyridinecarboxylic acids and derivatives Pyridinecarboxylic acids Azacyclic compounds Carboxylic acids Dicarboxylic acids and derivatives Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Aromatic heteromonocyclic compound Azacycle Carboxylic acid Carboxylic acid derivative Dicarboxylic acid or derivatives Heteroaromatic compound Hydrocarbon derivative Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyridine carboxylic acid Aromatic heteromonocyclic compounds pyridinedicarboxylic acid Solid melting_point 190 °C water_solubility 11.0 mg/mL logp 0.15 ALOGPS logs -1.61 ALOGPS logp -1 ChemAxon pka_strongest_acidic 0.31 ChemAxon pka_strongest_basic 5.74 ChemAxon iupac pyridine-2,3-dicarboxylic acid ChemAxon average_mass 167.1189 ChemAxon mono_mass 167.021857653 ChemAxon smiles OC(=O)C1=CC=CN=C1C(O)=O ChemAxon formula C7H5NO4 ChemAxon inchi InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12) ChemAxon inchikey GJAWHXHKYYXBSV-UHFFFAOYSA-N ChemAxon polar_surface_area 87.49 ChemAxon refractivity 38.04 ChemAxon polarizability 14.34 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge -2 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 Nicotinate and Nicotinamide Metabolism SMP0087241 Tryptophan Metabolism SMP0087237 Specdb::NmrTwoD 1003 Specdb::NmrTwoD 1226 Specdb::CMs 480 Specdb::CMs 481 Specdb::CMs 482 Specdb::CMs 3359 Specdb::CMs 29883 Specdb::CMs 29884 Specdb::CMs 30398 Specdb::CMs 30680 Specdb::CMs 30810 Specdb::CMs 31932 Specdb::CMs 32198 Specdb::CMs 37375 Specdb::CMs 135720 Specdb::CMs 143454 Specdb::CMs 1055112 Specdb::CMs 1055114 Specdb::CMs 1055116 Specdb::CMs 1055118 Specdb::CMs 1055120 Specdb::MsMs 388 Specdb::MsMs 389 Specdb::MsMs 390 Specdb::MsMs 3683 Specdb::MsMs 3684 Specdb::MsMs 3685 Specdb::MsMs 3686 Specdb::MsMs 3687 Specdb::MsMs 3688 Specdb::MsMs 3689 Specdb::MsMs 3690 Specdb::MsMs 3691 Specdb::MsMs 3692 Specdb::MsMs 20669 Specdb::MsMs 20670 Specdb::MsMs 20671 Specdb::MsMs 22220 Specdb::MsMs 22221 Specdb::MsMs 22222 Specdb::MsMs 437045 Specdb::MsMs 437046 Specdb::MsMs 438350 Specdb::MsMs 438351 Specdb::MsMs 438352 Specdb::MsMs 438353 Specdb::MsIr 329 Specdb::MsIr 330 Specdb::MsIr 331 Specdb::NmrOneD 1249 Specdb::NmrOneD 4684 Specdb::NmrOneD 4718 Specdb::NmrOneD 4719 Specdb::NmrOneD 143110 Specdb::NmrOneD 143111 Specdb::NmrOneD 143112 Specdb::NmrOneD 143113 Specdb::NmrOneD 143114 Specdb::NmrOneD 143115 Specdb::NmrOneD 143116 Specdb::NmrOneD 143117 Specdb::NmrOneD 143118 Specdb::NmrOneD 143119 Specdb::NmrOneD 143120 Specdb::NmrOneD 143121 Specdb::NmrOneD 143122 Specdb::NmrOneD 143123 Specdb::NmrOneD 143124 Specdb::NmrOneD 143125 Specdb::NmrOneD 143126 Specdb::NmrOneD 143127 Specdb::NmrOneD 143128 Specdb::NmrOneD 143129 Brain Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 Neuron Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 Placenta Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 Prostate Tissue Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 Spleen Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 C03722 144985 DB01796 FDB031142 1066 16675 C00007381 QUINOLINATE Quinolinic_acid 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. BMDBP00636 Nicotinate-nucleotide pyrophosphorylase [carboxylating] Q3T063 QPRT Enzyme