1.0 2011-09-21 00:20:19 UTC 2015-10-09 22:31:29 UTC FDB022833 2,2-Dimethylsuccinic acid 2,2-Dimethylsuccinic acid has been identified in urine samples from children investigated for a possible inherited metabolic disease (PMID 2134344), and in children fed elemental or protein-hydrolysate formulas that use Octanylsuccinic acid-modified cornstarch as an emulsifying agent (PMID 1805153) [HMDB] 2,2-Dimethyl Succinate 2,2-Dimethyl Succinic acid 2,2-Dimethylbutanedioate 2,2-Dimethylbutanedioic acid 2,2,-Dimethylsuccinate alpha,alpha-Dimethyl-succinate alpha,alpha-Dimethyl-succinic acid C6H10O4 146.0 146.0 2,2-dimethylbutanedioic acid 2,2-dimethylsuccinic acid 597-43-3 [H]OC(=O)C([H])([H])C(C(=O)O[H])(C([H])([H])[H])C([H])([H])[H] InChI=1S/C6H10O4/c1-6(2,5(9)10)3-4(7)8/h3H2,1-2H3,(H,7,8)(H,9,10) GOHPTLYPQCTZSE-UHFFFAOYSA-N belongs to the class of organic compounds known as methyl-branched fatty acids. These are fatty acids with an acyl chain that has a methyl branch. Usually, they are saturated and contain only one or more methyl group. However, branches other than methyl may be present. Methyl-branched fatty acids Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Aliphatic acyclic compounds Carbonyl compounds Carboxylic acids Dicarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Aliphatic acyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Dicarboxylic acid or derivatives Hydrocarbon derivative Methyl-branched fatty acid Organic oxide Organic oxygen compound Organooxygen compound Dicarboxylic acids alpha,omega-dicarboxylic acid Solid logp 0.41 ALOGPS logs -0.20 ALOGPS solubility 9.15e+01 g/l ALOGPS logp 0.7 ChemAxon pka_strongest_acidic 4.1 ChemAxon iupac 2,2-dimethylbutanedioic acid ChemAxon average_mass 146.0 ChemAxon mono_mass 146.0 ChemAxon smiles [H]OC(=O)C([H])([H])C(C(=O)O[H])(C([H])([H])[H])C([H])([H])[H] ChemAxon formula C6H10O4 ChemAxon inchi InChI=1S/C6H10O4/c1-6(2,5(9)10)3-4(7)8/h3H2,1-2H3,(H,7,8)(H,9,10) ChemAxon inchikey GOHPTLYPQCTZSE-UHFFFAOYSA-N ChemAxon polar_surface_area 74.6 ChemAxon refractivity 32.61 ChemAxon polarizability 13.75 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::NmrTwoD 1787 Specdb::NmrOneD 1847 Specdb::NmrOneD 109218 Specdb::NmrOneD 109219 Specdb::NmrOneD 109220 Specdb::NmrOneD 109221 Specdb::NmrOneD 109222 Specdb::NmrOneD 109223 Specdb::NmrOneD 109224 Specdb::NmrOneD 109225 Specdb::NmrOneD 109226 Specdb::NmrOneD 109227 Specdb::NmrOneD 109228 Specdb::NmrOneD 109229 Specdb::NmrOneD 109230 Specdb::NmrOneD 109231 Specdb::NmrOneD 109232 Specdb::NmrOneD 109233 Specdb::NmrOneD 109234 Specdb::NmrOneD 109235 Specdb::NmrOneD 109236 Specdb::NmrOneD 109237 Specdb::MsIr 1589 Specdb::MsIr 1590 Specdb::MsIr 1591 Specdb::CMs 1023 Specdb::CMs 26233 Specdb::CMs 31390 Specdb::CMs 32044 Specdb::CMs 38256 Specdb::CMs 169906 Specdb::MsMs 1984 Specdb::MsMs 1985 Specdb::MsMs 1986 Specdb::MsMs 324133 Specdb::MsMs 324134 Specdb::MsMs 324135 Specdb::MsMs 372469 Specdb::MsMs 372470 Specdb::MsMs 372471 Specdb::MsMs 2261611 Specdb::MsMs 2261612 Specdb::MsMs 2261613 Specdb::MsMs 3077430 Specdb::MsMs 3077431 Specdb::MsMs 3077432 HMDB02074 #<Reference:0x000055ce32fb39b0> #<Reference:0x000055ce32fb37f8> Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823