1.0 2016-09-30 23:07:10 UTC 2020-04-22 15:13:05 UTC BMDB0003974 BMDB03974 Oxalosuccinic acid 1-Oxopropane-1,2,3-tricarboxylate Oxalbernsteinsaeure Oxalosuccinate 1-Oxopropane-1,2,3-tricarboxylic acid Oxalosuccinic acid C6H6O7 190.1076 190.011352546 1-oxopropane-1,2,3-tricarboxylic acid oxalosuccinate 1948-82-9 OC(=O)CC(C(O)=O)C(=O)C(O)=O InChI=1S/C6H6O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2H,1H2,(H,7,8)(H,10,11)(H,12,13) UFSCUAXLTRFIDC-UHFFFAOYSA-N belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups. Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Tricarboxylic acids and derivatives Tricarboxylic acids and derivatives 1,3-dicarbonyl compounds Alpha-hydroxy ketones Alpha-keto acids and derivatives Beta-hydroxy ketones Beta-keto acids and derivatives Carboxylic acids Gamma-keto acids and derivatives Hydrocarbon derivatives Organic oxides 1,3-dicarbonyl compound Aliphatic acyclic compound Alpha-hydroxy ketone Alpha-keto acid Beta-hydroxy ketone Beta-keto acid Carbonyl group Carboxylic acid Gamma-keto acid Hydrocarbon derivative Keto acid Ketone Organic oxide Organic oxygen compound Organooxygen compound Tricarboxylic acid or derivatives Aliphatic acyclic compounds tricarboxylic acid Solid logp -0.55 ALOGPS logs -1.41 ALOGPS logp -0.37 ChemAxon pka_strongest_acidic 2.38 ChemAxon pka_strongest_basic -10 ChemAxon iupac 1-oxopropane-1,2,3-tricarboxylic acid ChemAxon average_mass 190.1076 ChemAxon mono_mass 190.011352546 ChemAxon smiles OC(=O)CC(C(O)=O)C(=O)C(O)=O ChemAxon formula C6H6O7 ChemAxon inchi InChI=1S/C6H6O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2H,1H2,(H,7,8)(H,10,11)(H,12,13) ChemAxon inchikey UFSCUAXLTRFIDC-UHFFFAOYSA-N ChemAxon polar_surface_area 128.97 ChemAxon refractivity 35.17 ChemAxon polarizability 14.95 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 7 ChemAxon donor_count 3 ChemAxon physiological_charge -3 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 3033 Specdb::CMs 38681 Specdb::MsMs 28100 Specdb::MsMs 28101 Specdb::MsMs 28102 Specdb::MsMs 34658 Specdb::MsMs 34659 Specdb::MsMs 34660 Specdb::MsMs 3608797 Specdb::MsMs 3608798 Specdb::MsMs 3608799 Specdb::MsMs 3608800 Specdb::MsMs 3608801 Specdb::MsMs 3608802 Specdb::NmrOneD 288635 Specdb::NmrOneD 288636 Specdb::NmrOneD 288637 Specdb::NmrOneD 288638 Specdb::NmrOneD 288639 Specdb::NmrOneD 288640 Specdb::NmrOneD 288641 Specdb::NmrOneD 288642 Specdb::NmrOneD 288643 Specdb::NmrOneD 288644 Specdb::NmrOneD 288645 Specdb::NmrOneD 288646 Specdb::NmrOneD 288647 Specdb::NmrOneD 288648 Specdb::NmrOneD 288649 Specdb::NmrOneD 288650 Specdb::NmrOneD 288651 Specdb::NmrOneD 288652 Specdb::NmrOneD 288653 Specdb::NmrOneD 288654 FDB031076 947 972 C05379 7815 Oxalosuccinic_acid Takeda, Isao; Iguchi, Takashi. Fermentative production of oxalosuccinic acid from hydrocarbons. Jpn. Tokkyo Koho (1972), 3 pp. BMDBP00448 Isocitrate dehydrogenase [NADP], mitochondrial Q04467 IDH2 Enzyme BMDBP00516 Isocitrate dehydrogenase [NADP] cytoplasmic Q9XSG3 IDH1 Enzyme