1.0 2011-09-21 00:36:37 UTC 2015-10-09 22:33:01 UTC FDB023903 D-Glucurono-6,3-lactone D-glucurono-6,3-lactone participates in ascorbate and aldarate metabolism. D-glucurono-6,3-lactone is produced by the reaction between D-glucaric acid and the enzyme, aldehyde dehydrogenase (NAD+) [EC: 1.2.1.3]. [HMDB] D-glucurone D-Glucuronic acid lactone D-Glucurono-3,6-lactone D-glucuronolactone Dicurone Glucofuranurono-6,3-lactone Glucoxy Glucurolactone Glucuron Glucurone Glucuronic acid lactone Glucuronolactone Glucuronosan Gluronsan Glycurone Guronsan Reulatt s.s. C6H8O6 176.1241 176.032087988 (3R,3aR,5R,6R,6aR)-3,5,6-trihydroxy-hexahydrofuro[3,2-b]furan-2-one (3R,3aR,5R,6R,6aR)-3,5,6-trihydroxy-tetrahydro-3H-furo[3,2-b]furan-2-one 32449-92-6 O[C@@H]1O[C@@H]2[C@@H](O)C(=O)O[C@@H]2[C@H]1O InChI=1S/C6H8O6/c7-1-3-4(12-5(1)9)2(8)6(10)11-3/h1-5,7-9H/t1-,2-,3-,4-,5-/m1/s1 OGLCQHRZUSEXNB-WHDMSYDLSA-N belongs to the class of organic compounds known as isosorbides. These are organic polycyclic compounds containing an isosorbide(1,4-Dianhydrosorbitol) moiety, which consists of two -oxolan-3-ol rings. Isosorbides Organic compounds Organoheterocyclic compounds Furofurans Isosorbides Aliphatic heteropolycyclic compounds Carbonyl compounds Carboxylic acid esters Gamma butyrolactones Hemiacetals Hydrocarbon derivatives Monocarboxylic acids and derivatives Monosaccharides Organic oxides Oxacyclic compounds Polyols Secondary alcohols Tetrahydrofurans Alcohol Aliphatic heteropolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Gamma butyrolactone Hemiacetal Hydrocarbon derivative Isosorbide Lactone Monocarboxylic acid or derivatives Monosaccharide Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Polyol Secondary alcohol Tetrahydrofuran Solid logp -1.93 ALOGPS logs 0.76 ALOGPS solubility 1.01e+03 g/l ALOGPS logp -1.9 ChemAxon pka_strongest_acidic 11.14 ChemAxon pka_strongest_basic -4 ChemAxon iupac (3R,3aR,5R,6R,6aR)-3,5,6-trihydroxy-hexahydrofuro[3,2-b]furan-2-one ChemAxon average_mass 176.1241 ChemAxon mono_mass 176.032087988 ChemAxon smiles O[C@@H]1O[C@@H]2[C@@H](O)C(=O)O[C@@H]2[C@H]1O ChemAxon formula C6H8O6 ChemAxon inchi InChI=1S/C6H8O6/c7-1-3-4(12-5(1)9)2(8)6(10)11-3/h1-5,7-9H/t1-,2-,3-,4-,5-/m1/s1 ChemAxon inchikey OGLCQHRZUSEXNB-WHDMSYDLSA-N ChemAxon polar_surface_area 96.22 ChemAxon refractivity 32.3 ChemAxon polarizability 14.7 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrTwoD 1973 Specdb::MsMs 95676 Specdb::MsMs 95677 Specdb::MsMs 95678 Specdb::MsMs 159990 Specdb::MsMs 159991 Specdb::MsMs 159992 Specdb::MsMs 2758665 Specdb::MsMs 2758666 Specdb::MsMs 2758667 Specdb::MsMs 2950860 Specdb::MsMs 2950861 Specdb::MsMs 2950862 Specdb::CMs 13606 Specdb::CMs 39008 Specdb::CMs 134045 Specdb::CMs 141779 Specdb::NmrOneD 2039 Specdb::NmrOneD 74252 Specdb::NmrOneD 74253 Specdb::NmrOneD 74254 Specdb::NmrOneD 74255 Specdb::NmrOneD 74256 Specdb::NmrOneD 74257 Specdb::NmrOneD 74258 Specdb::NmrOneD 74259 Specdb::NmrOneD 74260 Specdb::NmrOneD 74261 Specdb::NmrOneD 74262 Specdb::NmrOneD 74263 Specdb::NmrOneD 74264 Specdb::NmrOneD 74265 Specdb::NmrOneD 74266 Specdb::NmrOneD 74267 Specdb::NmrOneD 74268 Specdb::NmrOneD 74269 Specdb::NmrOneD 74270 Specdb::NmrOneD 74271 Specdb::MsIr 2395 Specdb::MsIr 2396 Specdb::MsIr 2397 HMDB06355 18268 #<Reference:0x000055ce2f4161f0> 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 mentholic very mild D-glucuronyl C5-epimerase O94923 GLCE Dermatan-sulfate epimerase Q9UL01 DSE