1.0 2011-09-21 00:40:00 UTC 2015-07-21 06:58:00 UTC FDB024109 2-Acetolactate 2-Acetolactate is involved in the butanoate metabolism and pantothenate and CoA biosynthesis pathways. In the butanoate metabolism pathway, 2-Acetolactate is created from 2-(alpha-Hydroxyethyl)thiamine diphosphate by acetolactate synthase [EC:2.2.1.6]. 2-Acetolactate is then converted to (R)-Acetoin by acetolactate decarboxylase [EC:4.1.1.5]. In the pantothenate and CoA pathway, 2-Acetolactate is irreversibly created from pyruvate by acetolactate synthase [EC:2.2.1.6]. 2-Acetolactate is then irreversibly converted to 2,3-Dihydroxy-3-methylbutanoate by ketol-acid reductoisomerase [EC:1.1.1.86]. [HMDB] 2-Acetolactic acid C5H8O4 132.1146 132.042258744 2-hydroxy-2-methyl-3-oxobutanoic acid 2-acetyllactic acid CC(=O)C(C)(O)C(O)=O InChI=1S/C5H8O4/c1-3(6)5(2,9)4(7)8/h9H,1-2H3,(H,7,8) NMDWGEGFJUBKLB-UHFFFAOYSA-N belongs to the class of organic compounds known as short-chain keto acids and derivatives. These are keto acids with an alkyl chain the contains less than 6 carbon atoms. Short-chain keto acids and derivatives Organic compounds Organic acids and derivatives Keto acids and derivatives Short-chain keto acids and derivatives Aliphatic acyclic compounds Acyloins Alpha hydroxy acids and derivatives Alpha-hydroxy ketones Beta-hydroxy ketones Beta-keto acids and derivatives Carboxylic acids Hydrocarbon derivatives Hydroxy fatty acids Methyl-branched fatty acids Monocarboxylic acids and derivatives Organic oxides Tertiary alcohols Acyloin Alcohol Aliphatic acyclic compound Alpha-hydroxy acid Alpha-hydroxy ketone Beta-hydroxy ketone Beta-keto acid Branched fatty acid Carbonyl group Carboxylic acid Carboxylic acid derivative Fatty acyl Hydrocarbon derivative Hydroxy acid Hydroxy fatty acid Ketone Methyl-branched fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Short-chain keto acid Tertiary alcohol 2-hydroxy monocarboxylic acid 3-oxo monocarboxylic acid Solid logp -0.65 ALOGPS logs 0.33 ALOGPS solubility 2.86e+02 g/l ALOGPS logp -0.28 ChemAxon pka_strongest_acidic 3.45 ChemAxon pka_strongest_basic -4.6 ChemAxon iupac 2-hydroxy-2-methyl-3-oxobutanoic acid ChemAxon average_mass 132.1146 ChemAxon mono_mass 132.042258744 ChemAxon smiles CC(=O)C(C)(O)C(O)=O ChemAxon formula C5H8O4 ChemAxon inchi InChI=1S/C5H8O4/c1-3(6)5(2,9)4(7)8/h9H,1-2H3,(H,7,8) ChemAxon inchikey NMDWGEGFJUBKLB-UHFFFAOYSA-N ChemAxon polar_surface_area 74.6 ChemAxon refractivity 28.59 ChemAxon polarizability 11.82 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 3070 Specdb::CMs 39108 Specdb::CMs 130949 Specdb::CMs 138683 Specdb::MsIr 2430 Specdb::MsIr 2431 Specdb::MsIr 2432 Specdb::MsMs 25931 Specdb::MsMs 25932 Specdb::MsMs 25933 Specdb::MsMs 32489 Specdb::MsMs 32490 Specdb::MsMs 32491 Specdb::MsMs 2360447 Specdb::MsMs 2360448 Specdb::MsMs 2360449 Specdb::MsMs 2605106 Specdb::MsMs 2605107 Specdb::MsMs 2605108 Specdb::NmrOneD 91832 Specdb::NmrOneD 91833 Specdb::NmrOneD 91834 Specdb::NmrOneD 91835 Specdb::NmrOneD 91836 Specdb::NmrOneD 91837 Specdb::NmrOneD 91838 Specdb::NmrOneD 91839 Specdb::NmrOneD 91840 Specdb::NmrOneD 91841 Specdb::NmrOneD 91842 Specdb::NmrOneD 91843 Specdb::NmrOneD 91844 Specdb::NmrOneD 91845 Specdb::NmrOneD 91846 Specdb::NmrOneD 91847 Specdb::NmrOneD 91848 Specdb::NmrOneD 91849 Specdb::NmrOneD 91850 Specdb::NmrOneD 91851 HMDB06833 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