1.0 2011-09-21 00:19:42 UTC 2015-07-21 06:57:21 UTC FDB022793 4-Hydroxyisovaleric acid 4-hydroxyisovaleric acid is a metabolite of isovaleric acid that has been reported to be found in the urine of patients with isovaleric acidemia. It seems to be an intermediate product in the formation of methylsuccinic acid from isovaleric acid by omega- oxidation. [HMDB] 4-Hydroxyisopentanoate 4-Hydroxyisopentanoic acid 4-Hydroxyisovalerate C5H10O3 118.1311 118.062994186 4-hydroxy-3-methylbutanoic acid 4-hydroxyisopentanoate 77220-86-1 CC(CO)CC(O)=O InChI=1S/C5H10O3/c1-4(3-6)2-5(7)8/h4,6H,2-3H2,1H3,(H,7,8) ZGYGEPZZMAXSKH-UHFFFAOYSA-N belongs to the class of organic compounds known as hydroxy fatty acids. These are fatty acids in which the chain bears a hydroxyl group. Hydroxy fatty acids Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Aliphatic acyclic compounds Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Methyl-branched fatty acids Monocarboxylic acids and derivatives Organic oxides Primary alcohols Short-chain hydroxy acids and derivatives Alcohol Aliphatic acyclic compound Branched fatty acid Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Hydroxy fatty acid Methyl-branched fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Primary alcohol Short-chain hydroxy acid Hydroxy fatty acids Solid logp -0.09 ALOGPS logs 0.37 ALOGPS solubility 2.76e+02 g/l ALOGPS logp -0.15 ChemAxon pka_strongest_acidic 4.59 ChemAxon pka_strongest_basic -2.6 ChemAxon iupac 4-hydroxy-3-methylbutanoic acid ChemAxon average_mass 118.1311 ChemAxon mono_mass 118.062994186 ChemAxon smiles CC(CO)CC(O)=O ChemAxon formula C5H10O3 ChemAxon inchi InChI=1S/C5H10O3/c1-4(3-6)2-5(7)8/h4,6H,2-3H2,1H3,(H,7,8) ChemAxon inchikey ZGYGEPZZMAXSKH-UHFFFAOYSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 28.27 ChemAxon polarizability 11.91 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 1523 Specdb::MsIr 1524 Specdb::MsIr 1525 Specdb::CMs 23155 Specdb::CMs 38222 Specdb::CMs 167590 Specdb::MsMs 93258 Specdb::MsMs 93259 Specdb::MsMs 93260 Specdb::MsMs 156996 Specdb::MsMs 156997 Specdb::MsMs 156998 Specdb::MsMs 2273790 Specdb::MsMs 2273791 Specdb::MsMs 2273792 Specdb::MsMs 3091208 Specdb::MsMs 3091209 Specdb::MsMs 3091210 HMDB02011 #<Reference:0x000055ce3078dee0> 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