1.0 2011-09-21 00:09:10 UTC 2015-10-09 22:30:35 UTC FDB022147 Ethylmalonic acid Ethylmalonic acid is identified in the urine of patients with short-chain acyl-coenzyme A dehydrogenase deficiency, which is a fatty acid metabolism disorder. [HMDB] 1,1-Propanedicarboxylate 1,1-Propanedicarboxylic acid 2-Ethylmalonate 2-Ethylmalonic acid a-Carboxybutyrate a-Carboxybutyric acid alpha-Carboxybutyrate alpha-Carboxybutyric acid ethyl-Malonic acid Ethylmalonate Ethylmalonic acid α-carboxybutyrate α-carboxybutyric acid C5H8O4 132.1146 132.042258744 2-ethylpropanedioic acid ethylmalonic acid 601-75-2 CCC(C(O)=O)C(O)=O InChI=1S/C5H8O4/c1-2-3(4(6)7)5(8)9/h3H,2H2,1H3,(H,6,7)(H,8,9) UKFXDFUAPNAMPJ-UHFFFAOYSA-N belongs to the class of organic compounds known as branched fatty acids. These are fatty acids containing a branched chain. Branched fatty acids Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Aliphatic acyclic compounds 1,3-dicarbonyl compounds Carboxylic acids Dicarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides 1,3-dicarbonyl compound Aliphatic acyclic compound Branched fatty acid Carbonyl group Carboxylic acid Carboxylic acid derivative Dicarboxylic acid or derivatives Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Dicarboxylic acids dicarboxylic acid Liquid logp 0.43 ALOGPS logs -0.15 ALOGPS solubility 9.41e+01 g/l ALOGPS logp 0.66 ChemAxon pka_strongest_acidic 2.5 ChemAxon iupac 2-ethylpropanedioic acid ChemAxon average_mass 132.1146 ChemAxon mono_mass 132.042258744 ChemAxon smiles CCC(C(O)=O)C(O)=O ChemAxon formula C5H8O4 ChemAxon inchi InChI=1S/C5H8O4/c1-2-3(4(6)7)5(8)9/h3H,2H2,1H3,(H,6,7)(H,8,9) ChemAxon inchikey UKFXDFUAPNAMPJ-UHFFFAOYSA-N ChemAxon polar_surface_area 74.6 ChemAxon refractivity 28.16 ChemAxon polarizability 11.98 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 868 Specdb::NmrTwoD 1385 Specdb::MsIr 679 Specdb::MsIr 680 Specdb::MsIr 681 Specdb::NmrOneD 1440 Specdb::CMs 578 Specdb::CMs 10139 Specdb::CMs 29829 Specdb::CMs 30142 Specdb::CMs 30538 Specdb::CMs 37655 Specdb::CMs 169360 Specdb::CMs 1070434 Specdb::CMs 1070436 Specdb::CMs 1070437 Specdb::MsMs 843 Specdb::MsMs 844 Specdb::MsMs 845 Specdb::MsMs 288391 Specdb::MsMs 288392 Specdb::MsMs 288393 Specdb::MsMs 327493 Specdb::MsMs 327494 Specdb::MsMs 327495 Specdb::MsMs 440149 Specdb::MsMs 2245336 Specdb::MsMs 2248799 Specdb::MsMs 2249566 Specdb::MsMs 2250878 Specdb::MsMs 2251550 Specdb::MsMs 2347766 Specdb::MsMs 2347767 Specdb::MsMs 2347768 Specdb::MsMs 2587051 Specdb::MsMs 2587052 Specdb::MsMs 2587053 HMDB00622 #<Reference:0x000055ce3204e6f0> #<Reference:0x000055ce3204e538> #<Reference:0x000055ce3204e380> #<Reference:0x000055ce3204e1c8> #<Reference:0x000055ce3204e010> #<Reference:0x000055ce3204de58> #<Reference:0x000055ce3204dca0> #<Reference:0x000055ce3204dae8> #<Reference:0x000055ce3204d930> 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