1.0 2011-09-21 00:23:09 UTC 2015-07-21 06:57:28 UTC FDB023005 3,3-Dimethylglutaric acid 3,3-Dimethylglutaric acid is a compound that has occasionally found in human urine. (PMID: 699273) [HMDB] 3,3-dimethylglutarate 3,3-dimethylglutaric acid 3,3-Dimethylpentanedioate 3,3-Dimethylpentanedioic acid b,b-Dimethylglutarate b,b-Dimethylglutaric acid C7H12O4 160.1678 160.073558872 3,3-dimethylpentanedioic acid β,β-dimethylglutaric acid 4839-46-7 CC(C)(CC(O)=O)CC(O)=O InChI=1S/C7H12O4/c1-7(2,3-5(8)9)4-6(10)11/h3-4H2,1-2H3,(H,8,9)(H,10,11) DUHQIGLHYXLKAE-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 0.63 ALOGPS logs -0.88 ALOGPS solubility 2.10e+01 g/l ALOGPS logp 0.63 ChemAxon pka_strongest_acidic 4.04 ChemAxon iupac 3,3-dimethylpentanedioic acid ChemAxon average_mass 160.1678 ChemAxon mono_mass 160.073558872 ChemAxon smiles CC(C)(CC(O)=O)CC(O)=O ChemAxon formula C7H12O4 ChemAxon inchi InChI=1S/C7H12O4/c1-7(2,3-5(8)9)4-6(10)11/h3-4H2,1-2H3,(H,8,9)(H,10,11) ChemAxon inchikey DUHQIGLHYXLKAE-UHFFFAOYSA-N ChemAxon polar_surface_area 74.6 ChemAxon refractivity 37.16 ChemAxon polarizability 15.49 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18814 Specdb::CMs 38421 Specdb::CMs 171688 Specdb::NmrOneD 122458 Specdb::NmrOneD 122459 Specdb::NmrOneD 122460 Specdb::NmrOneD 122461 Specdb::NmrOneD 122462 Specdb::NmrOneD 122463 Specdb::NmrOneD 122464 Specdb::NmrOneD 122465 Specdb::NmrOneD 122466 Specdb::NmrOneD 122467 Specdb::NmrOneD 122468 Specdb::NmrOneD 122469 Specdb::NmrOneD 122470 Specdb::NmrOneD 122471 Specdb::NmrOneD 122472 Specdb::NmrOneD 122473 Specdb::NmrOneD 122474 Specdb::NmrOneD 122475 Specdb::NmrOneD 122476 Specdb::NmrOneD 122477 Specdb::MsIr 1777 Specdb::MsIr 1778 Specdb::MsIr 1779 Specdb::MsMs 307810 Specdb::MsMs 307811 Specdb::MsMs 307812 Specdb::MsMs 351847 Specdb::MsMs 351848 Specdb::MsMs 351849 Specdb::MsMs 3052658 Specdb::MsMs 3052659 Specdb::MsMs 3052660 Specdb::MsMs 3113930 Specdb::MsMs 3113931 Specdb::MsMs 3113932 HMDB02441 #<Reference:0x000055ce324c58f0> 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