1.0 2016-09-30 22:41:22 UTC 2020-05-21 16:28:50 UTC BMDB0001123 BMDB01123 2-Aminobenzoic acid 2-Aminobenzoic acid, also known as 2-aminobenzoic acid or 2-aminobenzoic acid, belongs to the class of organic compounds known as aminobenzoic acids. These are benzoic acids containing an amine group attached to the benzene moiety. 2-Aminobenzoic acid exists as a solid, possibly soluble (in water), and a moderately basic compound (based on its pKa) molecule. 2-Aminobenzoic acid exists in all living species, ranging from bacteria to humans. 2-Aminobenzoic acid participates in a number of enzymatic reactions, within cattle. In particular, 2-Aminobenzoic acid and formic acid can be biosynthesized from formyl2-aminobenzoic acid; which is mediated by the enzyme kynurenine formamidase. In addition, 2-Aminobenzoic acid and L-alanine can be biosynthesized from L-kynurenine through the action of the enzyme kynureninase. In cattle, 2-aminobenzoic acid is involved in the metabolic pathway called the tryptophan metabolism pathway. 2-Aminobenzoic acid is a potentially toxic compound. 2-Aminobenzoesaeure 2-Carboxyaniline O-Aminobenzoesaeure O-Aminobenzoic acid O-Carboxyaniline Vitamin L1 Anthranilic acid 2-Aminobenzoate O-Aminobenzoate Anthranilate Anthranilic acid, cadmium salt Anthranilic acid, calcium (2:1) salt Anthranilic acid, monolithium salt Sodium anthranilate Anthranilic acid, dihydrochloride Anthranilic acid, hydrochloride Anthranilic acid, monosodium salt 1-Amino-2-carboxybenzene 2-Amino-benzoate 2-Amino-benzoic acid 2-Aminophenylacetate 2-Aminophenylacetic acid Anthranate Anthranic acid Anthranilic acid GR Carboxyaniline H-2-Abz-OH Kyselina anthranilova Kyselina O-aminobenzoova O-Amino-benzoate O-Amino-benzoic acid O-Anthranilate O-Anthranilic acid Ortho-amidobenzoate Ortho-amidobenzoic acid Ortho-aminobenzoate Ortho-aminobenzoic acid Vitamin L C7H7NO2 137.136 137.047678473 2-aminobenzoic acid 2-aminobenzoic acid 118-92-3 NC1=CC=CC=C1C(O)=O InChI=1S/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10) RWZYAGGXGHYGMB-UHFFFAOYSA-N belongs to the class of organic compounds known as aminobenzoic acids. These are benzoic acids containing an amine group attached to the benzene moiety. Organic compounds Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Aminobenzoic acids Amino acids Aniline and substituted anilines Benzoic acids Benzoyl derivatives Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organooxygen compounds Organopnictogen compounds Primary amines Vinylogous amides Amine Amino acid Amino acid or derivatives Aminobenzoic acid Aniline or substituted anilines Aromatic homomonocyclic compound Benzoic acid Benzoyl Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary amine Vinylogous amide Aromatic homomonocyclic compounds aminobenzoic acid Solid melting_point 146.5 °C water_solubility 3.5 mg/mL logp 1.21 HANSCH,C ET AL. (1995) logp 0.78 ALOGPS logs -1.30 ALOGPS logp 1.45 ChemAxon pka_strongest_acidic 4.89 ChemAxon pka_strongest_basic 1.95 ChemAxon iupac 2-aminobenzoic acid ChemAxon average_mass 137.136 ChemAxon mono_mass 137.047678473 ChemAxon smiles NC1=CC=CC=C1C(O)=O ChemAxon formula C7H7NO2 ChemAxon inchi InChI=1S/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10) ChemAxon inchikey RWZYAGGXGHYGMB-UHFFFAOYSA-N ChemAxon polar_surface_area 63.32 ChemAxon refractivity 38.01 ChemAxon polarizability 13.29 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge -1 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::NmrTwoD 1053 Specdb::NmrTwoD 1587 Specdb::EiMs 321 Specdb::CMs 865 Specdb::CMs 866 Specdb::CMs 867 Specdb::CMs 1180 Specdb::CMs 1297 Specdb::CMs 2604 Specdb::CMs 26997 Specdb::CMs 30062 Specdb::CMs 30175 Specdb::CMs 30480 Specdb::CMs 30823 Specdb::CMs 31277 Specdb::CMs 31278 Specdb::CMs 37934 Specdb::CMs 130719 Specdb::CMs 138453 Specdb::MsIr 1086 Specdb::MsIr 1087 Specdb::MsIr 1088 Specdb::NmrOneD 1646 Specdb::NmrOneD 2175 Specdb::NmrOneD 4822 Specdb::NmrOneD 8682 Specdb::NmrOneD 8683 Specdb::NmrOneD 8684 Specdb::NmrOneD 8685 Specdb::NmrOneD 8686 Specdb::NmrOneD 8687 Specdb::NmrOneD 8688 Specdb::NmrOneD 8689 Specdb::NmrOneD 8690 Specdb::NmrOneD 8691 Specdb::NmrOneD 8692 Specdb::NmrOneD 8693 Specdb::NmrOneD 8694 Specdb::NmrOneD 8695 Specdb::NmrOneD 8696 Specdb::NmrOneD 8697 Specdb::NmrOneD 8698 Specdb::NmrOneD 8699 Specdb::NmrOneD 8700 Specdb::NmrOneD 8701 Specdb::NmrOneD 166595 Specdb::MsMs 6270 Specdb::MsMs 6271 Specdb::MsMs 6272 Specdb::MsMs 6273 Specdb::MsMs 6274 Specdb::MsMs 6275 Specdb::MsMs 6276 Specdb::MsMs 6277 Specdb::MsMs 6278 Specdb::MsMs 6279 Specdb::MsMs 6280 Specdb::MsMs 6281 Specdb::MsMs 6282 Specdb::MsMs 6283 Specdb::MsMs 6284 Specdb::MsMs 6285 Specdb::MsMs 6286 Specdb::MsMs 6287 Specdb::MsMs 6288 Specdb::MsMs 6292 Specdb::MsMs 6293 Specdb::MsMs 20297 Specdb::MsMs 20298 Specdb::MsMs 20299 Specdb::MsMs 21848 Epidermis 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 Fibroblasts 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 C00108 DB04166 FDB000896 222 30754 227 C00007382 ANTHRANILATE Anthranilic_acid 33883 6018 Wang, Chengyin; Yang, Jisheng; Wang, Honghai. Production of o-aminobenzoic acid from by-product o-nitrobenzoic acid. Huaxue Shijie (1999), 40(5), 274-277. BMDBP02928 Kynureninase F1MCH2 KYNU Enzyme BMDBP02929 Kynurenine formamidase E1BLL5 AFMID Enzyme