1.0 2011-09-21 00:05:55 UTC 2015-07-21 06:56:54 UTC FDB021961 (S)-3,4-Dihydroxybutyric acid 3,4-Dihydroxybutyric acid is a normal human urinary metabolite that is excreted in increased concentration in patients with succinic semialdehyde dehydrogenase (SSADH) deficiency. (PMID 12127325) Normal adults excrete 0.37 +/- 0.15 (SD) mmoles of 3,4-dihydroxybutyrate per 24 hr. The compound is also detectable in blood. The renal clearance of this compound is roughly equal that of creatinine. [HMDB] (S)-3,4-Dihydroxy-butyric acid (S)-3,4-Dihydroxybutanoate (S)-3,4-Dihydroxybutanoic acid 2-Deoxytetronate 2-Deoxytetronic acid 3,4-Dihydroxybutanoate 3,4-Dihydroxybutanoic acid C4H8O4 120.1039 120.042258744 3,4-dihydroxybutanoic acid 3,4-dihydroxybutanoic acid 51267-44-8 OCC(O)CC(O)=O InChI=1S/C4H8O4/c5-2-3(6)1-4(7)8/h3,5-6H,1-2H2,(H,7,8) DZAIOXUZHHTJKN-UHFFFAOYSA-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 1,2-diols Carbonyl compounds Carboxylic acids Fatty acids and conjugates Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Primary alcohols Secondary alcohols Short-chain hydroxy acids and derivatives 1,2-diol Alcohol Aliphatic acyclic compound Beta-hydroxy acid Carbonyl group Carboxylic acid Carboxylic acid derivative Fatty acid Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Primary alcohol Secondary alcohol Short-chain hydroxy acid omega-hydroxy fatty acid Solid logp -1.54 ALOGPS logs 0.84 ALOGPS solubility 8.32e+02 g/l ALOGPS logp -1.4 ChemAxon pka_strongest_acidic 4.09 ChemAxon pka_strongest_basic -2.9 ChemAxon iupac 3,4-dihydroxybutanoic acid ChemAxon average_mass 120.1039 ChemAxon mono_mass 120.042258744 ChemAxon smiles OCC(O)CC(O)=O ChemAxon formula C4H8O4 ChemAxon inchi InChI=1S/C4H8O4/c5-2-3(6)1-4(7)8/h3,5-6H,1-2H2,(H,7,8) ChemAxon inchikey DZAIOXUZHHTJKN-UHFFFAOYSA-N ChemAxon polar_surface_area 77.76 ChemAxon refractivity 25.01 ChemAxon polarizability 10.91 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 424 Specdb::MsIr 425 Specdb::MsIr 426 Specdb::MsMs 7949 Specdb::MsMs 7950 Specdb::MsMs 7951 Specdb::MsMs 14621 Specdb::MsMs 14622 Specdb::MsMs 14623 Specdb::MsMs 2294391 Specdb::MsMs 2294392 Specdb::MsMs 2294393 Specdb::MsMs 2641441 Specdb::MsMs 2641442 Specdb::MsMs 2641443 Specdb::CMs 20951 Specdb::CMs 32302 Specdb::CMs 37442 Specdb::CMs 99565 Specdb::CMs 154859 Specdb::CMs 1058871 Specdb::CMs 1058872 Specdb::CMs 1058874 Specdb::CMs 1058876 Specdb::CMs 1058878 Specdb::CMs 1058879 Specdb::CMs 1058881 Specdb::CMs 1058883 Specdb::CMs 1058885 Specdb::CMs 1058887 Specdb::CMs 1058888 Specdb::CMs 1058890 Specdb::CMs 1058892 Specdb::NmrOneD 143530 Specdb::NmrOneD 143531 Specdb::NmrOneD 143532 Specdb::NmrOneD 143533 Specdb::NmrOneD 143534 Specdb::NmrOneD 143535 Specdb::NmrOneD 143536 Specdb::NmrOneD 143537 Specdb::NmrOneD 143538 Specdb::NmrOneD 143539 Specdb::NmrOneD 143540 Specdb::NmrOneD 143541 Specdb::NmrOneD 143542 Specdb::NmrOneD 143543 Specdb::NmrOneD 143544 Specdb::NmrOneD 143545 Specdb::NmrOneD 143546 Specdb::NmrOneD 143547 Specdb::NmrOneD 143548 Specdb::NmrOneD 143549 HMDB00337 #<Reference:0x000055ce3188dc68> #<Reference:0x000055ce3188dab0> #<Reference:0x000055ce3188d768> #<Reference:0x000055ce3188d5b0> #<Reference:0x000055ce3188d3f8> 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