1.0 2011-09-21 00:05:54 UTC 2015-07-21 06:56:54 UTC FDB021960 (R)-3-Hydroxyisobutyric acid The chiral metabolites 3-hydroxyisobutyric acid (HIBA) and 3-aminoisobutyric acid (AIBA) are intermediates in the pathways of l-valine and thymine and play an important role in the diagnosis of the very rare inherited metabolic diseases 3-hydroxyisobutyric aciduria (OMIM 236795) and methylmalonic semialdehyde dehydrogenase deficiency (OMIM 603178). (PMID 10686279) [HMDB] (R)-3-Hydroxy-2-methylpropionate (R)-3-Hydroxy-2-methylpropionic acid 2-methyl-(R)-Hydracrylate 2-methyl-(R)-Hydracrylic acid 3-Hydroxy-2-methylpropionate D-(-)-3-Hydroxyisobutyrate D-(-)-3-Hydroxyisobutyric acid D-b-Hydroxyisobutyrate D-b-Hydroxyisobutyric acid delta-(-)-3-Hydroxyisobutyrate delta-(-)-3-Hydroxyisobutyric acid delta-beta-Hydroxyisobutyrate delta-beta-Hydroxyisobutyric acid R-b-Hydroxyisobutyrate R-b-Hydroxyisobutyric acid R-beta-Hydroxyisobutyrate R-beta-Hydroxyisobutyric acid C4H8O3 104.1045 104.047344122 (2R)-3-hydroxy-2-methylpropanoic acid (R)-3-hydroxyisobutyric acid 1910-47-0 C[C@H](CO)C(O)=O InChI=1S/C4H8O3/c1-3(2-5)4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m1/s1 DBXBTMSZEOQQDU-GSVOUGTGSA-N belongs to the class of organic compounds known as beta hydroxy acids and derivatives. Beta hydroxy acids and derivatives are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom. Beta hydroxy acids and derivatives Organic compounds Organic acids and derivatives Hydroxy acids and derivatives Beta hydroxy acids and derivatives Aliphatic acyclic compounds Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Primary alcohols Alcohol Aliphatic acyclic compound Beta-hydroxy acid Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Primary alcohol Hydroxy fatty acids Solid logp -0.47 ALOGPS logs 0.74 ALOGPS solubility 5.71e+02 g/l ALOGPS logp -0.26 ChemAxon pka_strongest_acidic 4.37 ChemAxon pka_strongest_basic -2.7 ChemAxon iupac (2R)-3-hydroxy-2-methylpropanoic acid ChemAxon average_mass 104.1045 ChemAxon mono_mass 104.047344122 ChemAxon smiles C[C@H](CO)C(O)=O ChemAxon formula C4H8O3 ChemAxon inchi InChI=1S/C4H8O3/c1-3(2-5)4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m1/s1 ChemAxon inchikey DBXBTMSZEOQQDU-GSVOUGTGSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 23.62 ChemAxon polarizability 9.98 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::NmrTwoD 1277 Specdb::MsMs 93789 Specdb::MsMs 93790 Specdb::MsMs 93791 Specdb::MsMs 157632 Specdb::MsMs 157633 Specdb::MsMs 157634 Specdb::MsMs 2787823 Specdb::MsMs 2787824 Specdb::MsMs 2787825 Specdb::MsMs 2917793 Specdb::MsMs 2917794 Specdb::MsMs 2917795 Specdb::CMs 11467 Specdb::CMs 37441 Specdb::CMs 171659 Specdb::CMs 1058862 Specdb::CMs 1058864 Specdb::CMs 1058865 Specdb::CMs 1058867 Specdb::CMs 1058869 Specdb::NmrOneD 1334 Specdb::NmrOneD 143510 Specdb::NmrOneD 143511 Specdb::NmrOneD 143512 Specdb::NmrOneD 143513 Specdb::NmrOneD 143514 Specdb::NmrOneD 143515 Specdb::NmrOneD 143516 Specdb::NmrOneD 143517 Specdb::NmrOneD 143518 Specdb::NmrOneD 143519 Specdb::NmrOneD 143520 Specdb::NmrOneD 143521 Specdb::NmrOneD 143522 Specdb::NmrOneD 143523 Specdb::NmrOneD 143524 Specdb::NmrOneD 143525 Specdb::NmrOneD 143526 Specdb::NmrOneD 143527 Specdb::NmrOneD 143528 Specdb::NmrOneD 143529 HMDB00336 HIU #<Reference:0x000055ce31c26a28> #<Reference:0x000055ce31c26870> #<Reference:0x000055ce31c266b8> 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