1.0 2011-09-21 00:07:22 UTC 2018-05-28 18:30:48 UTC FDB022036 2-Methylglutaric acid 2-Methylglutaric acid is an organic acid normally found in human urine, in healthy adults and children. 2-Methylglutaric acid is a metabolite of succinic acid, a citric acid cycle intermediate. (PMID: 2925825, 8087979, 16379391, 1688138) [HMDB] (+-)-2-Methylglutaric acid 2-Methylglutarate 2-Methylglutaric acid 2-Methylpentanedioate 2-Methylpentanedioic acid a-Methylglutarate a-Methylglutaric acid alpha-Methylglutarate alpha-Methylglutaric acid α-methylglutarate α-methylglutaric acid C6H10O4 146.1412 146.057908808 2-methylpentanedioic acid α-methylglutaric acid 617-62-9 CC(CCC(O)=O)C(O)=O InChI=1S/C6H10O4/c1-4(6(9)10)2-3-5(7)8/h4H,2-3H2,1H3,(H,7,8)(H,9,10) AQYCMVICBNBXNA-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 0.33 ALOGPS logs -0.56 ALOGPS solubility 4.06e+01 g/l ALOGPS logp 0.59 ChemAxon pka_strongest_acidic 3.89 ChemAxon iupac 2-methylpentanedioic acid ChemAxon average_mass 146.1412 ChemAxon mono_mass 146.057908808 ChemAxon smiles CC(CCC(O)=O)C(O)=O ChemAxon formula C6H10O4 ChemAxon inchi InChI=1S/C6H10O4/c1-4(6(9)10)2-3-5(7)8/h4H,2-3H2,1H3,(H,7,8)(H,9,10) ChemAxon inchikey AQYCMVICBNBXNA-UHFFFAOYSA-N ChemAxon polar_surface_area 74.6 ChemAxon refractivity 32.71 ChemAxon polarizability 13.96 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 499 Specdb::MsIr 500 Specdb::MsIr 501 Specdb::NmrOneD 5061 Specdb::NmrOneD 5062 Specdb::NmrOneD 143810 Specdb::NmrOneD 143811 Specdb::NmrOneD 143812 Specdb::NmrOneD 143813 Specdb::NmrOneD 143814 Specdb::NmrOneD 143815 Specdb::NmrOneD 143816 Specdb::NmrOneD 143817 Specdb::NmrOneD 143818 Specdb::NmrOneD 143819 Specdb::NmrOneD 143820 Specdb::NmrOneD 143821 Specdb::NmrOneD 143822 Specdb::NmrOneD 143823 Specdb::NmrOneD 143824 Specdb::NmrOneD 143825 Specdb::NmrOneD 143826 Specdb::NmrOneD 143827 Specdb::NmrOneD 143828 Specdb::NmrOneD 143829 Specdb::NmrTwoD 1306 Specdb::CMs 549 Specdb::CMs 1105 Specdb::CMs 2535 Specdb::CMs 30430 Specdb::CMs 31141 Specdb::CMs 32032 Specdb::CMs 37521 Specdb::CMs 131071 Specdb::CMs 138805 Specdb::CMs 1061347 Specdb::CMs 1061349 Specdb::CMs 1061351 Specdb::CMs 1061353 Specdb::CMs 1061354 Specdb::MsMs 624 Specdb::MsMs 625 Specdb::MsMs 4051 Specdb::MsMs 178374 Specdb::MsMs 178375 Specdb::MsMs 178376 Specdb::MsMs 180690 Specdb::MsMs 180691 Specdb::MsMs 180692 Specdb::MsMs 439236 Specdb::MsMs 2252326 Specdb::MsMs 2254137 Specdb::MsMs 2254376 Specdb::MsMs 2256211 Specdb::MsMs 2258269 Specdb::MsMs 3052478 Specdb::MsMs 3052479 Specdb::MsMs 3052480 Specdb::MsMs 3115423 Specdb::MsMs 3115424 Specdb::MsMs 3115425 HMDB00422 #<Reference:0x000055ce317ef6a8> #<Reference:0x000055ce317ef4f0> #<Reference:0x000055ce317ef338> #<Reference:0x000055ce317ef180> Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Beer Type 2 specific 0.034 0.034 0.034 mg/100 g 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