1.0 2011-09-21 01:25:01 UTC 2018-05-02 12:26:29 UTC FDB027477 Ethyl glucuronide Ethyl glucuronide is a natural human metabolite of Ethanol generated in the liver by UDP glucuonyltransferase. Glucuronidation is used to assist in the excretion of toxic substances, drugs or other substances that cannot be used as an energy source. Glucuronic acid is attached via a glycosidic bond to the substance, and the resulting glucuronide, which has a much higher water solubility than the original substance, is eventually excreted by the kidneys. [HMDB]. Ethyl glucuronide is a general biomarker for the consumption of alcohol. beta-D-Ethyl glucuronide D-Ethyl glucuronide Ethyl beta-D-glucopyranosiduronate Ethyl beta-D-glucopyranosiduronic acid Ethylglucuronide C8H14O7 222.1926 222.073952802 (2S,3S,4S,5R,6R)-6-ethoxy-3,4,5-trihydroxyoxane-2-carboxylic acid (2S,3S,4S,5R,6R)-6-ethoxy-3,4,5-trihydroxyoxane-2-carboxylic acid 17685-04-0 CCO[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O InChI=1S/C8H14O7/c1-2-14-8-5(11)3(9)4(10)6(15-8)7(12)13/h3-6,8-11H,2H2,1H3,(H,12,13)/t3-,4-,5+,6-,8+/m0/s1 IWJBVMJWSPZNJH-UQGZVRACSA-N belongs to the class of organic compounds known as o-glucuronides. These are glucuronides in which the aglycone is linked to the carbohydrate unit through an O-glycosidic bond. O-glucuronides Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aliphatic heteromonocyclic compounds Acetals Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Hexoses Hydrocarbon derivatives Monocarboxylic acids and derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Pyrans Secondary alcohols 1-o-glucuronide Acetal Alcohol Aliphatic heteromonocyclic compound Beta-hydroxy acid Carbonyl group Carboxylic acid Carboxylic acid derivative Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Hydroxy acid Monocarboxylic acid or derivatives Monosaccharide O-glucuronide O-glycosyl compound Organic oxide Organoheterocyclic compound Oxacycle Oxane Polyol Pyran Secondary alcohol beta-D-glucosiduronic acid Solid logp -1.84 ALOGPS logs 0.10 ALOGPS solubility 2.81e+02 g/l ALOGPS logp -1.6 ChemAxon pka_strongest_acidic 3.45 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac (2S,3S,4S,5R,6R)-6-ethoxy-3,4,5-trihydroxyoxane-2-carboxylic acid ChemAxon average_mass 222.1926 ChemAxon mono_mass 222.073952802 ChemAxon smiles CCO[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O ChemAxon formula C8H14O7 ChemAxon inchi InChI=1S/C8H14O7/c1-2-14-8-5(11)3(9)4(10)6(15-8)7(12)13/h3-6,8-11H,2H2,1H3,(H,12,13)/t3-,4-,5+,6-,8+/m0/s1 ChemAxon inchikey IWJBVMJWSPZNJH-UQGZVRACSA-N ChemAxon polar_surface_area 116.45 ChemAxon refractivity 45.29 ChemAxon polarizability 20.6 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 7 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17724 Specdb::CMs 39449 Specdb::CMs 164958 Specdb::NmrOneD 92332 Specdb::NmrOneD 92333 Specdb::NmrOneD 92334 Specdb::NmrOneD 92335 Specdb::NmrOneD 92336 Specdb::NmrOneD 92337 Specdb::NmrOneD 92338 Specdb::NmrOneD 92339 Specdb::NmrOneD 92340 Specdb::NmrOneD 92341 Specdb::NmrOneD 92342 Specdb::NmrOneD 92343 Specdb::NmrOneD 92344 Specdb::NmrOneD 92345 Specdb::NmrOneD 92346 Specdb::NmrOneD 92347 Specdb::NmrOneD 92348 Specdb::NmrOneD 92349 Specdb::NmrOneD 92350 Specdb::NmrOneD 92351 Specdb::MsMs 80748 Specdb::MsMs 80749 Specdb::MsMs 80750 Specdb::MsMs 141696 Specdb::MsMs 141697 Specdb::MsMs 141698 Specdb::MsMs 439954 Specdb::MsMs 450233 Specdb::MsMs 450234 Specdb::MsMs 2242929 Specdb::MsMs 2826550 Specdb::MsMs 2826551 Specdb::MsMs 2826552 Specdb::MsMs 2855953 Specdb::MsMs 2855954 Specdb::MsMs 2855955 HMDB10325 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 Beta-glucuronidase P08236 GUSB UDP-glucuronosyltransferase 1-1 P22309 UGT1A1 UDP-glucuronosyltransferase 1-10 Q9HAW8 UGT1A10 UDP-glucuronosyltransferase 1-3 P35503 UGT1A3 UDP-glucuronosyltransferase 1-4 P22310 UGT1A4 UDP-glucuronosyltransferase 1-6 P19224 UGT1A6 UDP-glucuronosyltransferase 1-7 Q9HAW7 UGT1A7 UDP-glucuronosyltransferase 1-8 Q9HAW9 UGT1A8 UDP-glucuronosyltransferase 1-9 O60656 UGT1A9 UDP-glucuronosyltransferase 2B15 P54855 UGT2B15 UDP-glucuronosyltransferase 2B17 O75795 UGT2B17 UDP-glucuronosyltransferase 2B4 P06133 UGT2B4 UDP-glucuronosyltransferase 2B7 P16662 UGT2B7