1.0 2011-09-21 01:24:53 UTC 2024-11-29 22:25:21 UTC FDB027471 Inodxyl glucuronide Inodxyl glucuronide is a natural human metabolite of Inodxyl 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] Indoxyl-beta-D-glucuronide C14H15NO7 309.2714 309.084851839 (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(1H-indol-3-yloxy)oxane-2-carboxylic acid inodxyl glucuronide O[C@@H]1[C@@H](O)[C@H](OC2=CNC3=CC=CC=C23)O[C@@H]([C@H]1O)C(O)=O InChI=1S/C14H15NO7/c16-9-10(17)12(13(19)20)22-14(11(9)18)21-8-5-15-7-4-2-1-3-6(7)8/h1-5,9-12,14-18H,(H,19,20)/t9-,10-,11+,12-,14+/m0/s1 KUYNOZVWCFXSNE-BYNIDDHOSA-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 Aromatic heteropolycyclic compounds Acetals Azacyclic compounds Benzenoids Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Heteroaromatic compounds Hydrocarbon derivatives Indoles Monocarboxylic acids and derivatives Monosaccharides O-glycosyl compounds Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Oxanes Polyols Pyrans Secondary alcohols Substituted pyrroles 1-o-glucuronide Acetal Alcohol Aromatic heteropolycyclic compound Azacycle Benzenoid Beta-hydroxy acid Carbonyl group Carboxylic acid Carboxylic acid derivative Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxy acid Indole Indole or derivatives Monocarboxylic acid or derivatives Monosaccharide O-glucuronide O-glycosyl compound Organic nitrogen compound Organic oxide Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Oxacycle Oxane Polyol Pyran Pyrrole Secondary alcohol Substituted pyrrole Solid logp -0.25 ALOGPS logs -1.29 ALOGPS solubility 1.60e+01 g/l ALOGPS logp -0.18 ChemAxon pka_strongest_acidic 3.51 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(1H-indol-3-yloxy)oxane-2-carboxylic acid ChemAxon average_mass 309.2714 ChemAxon mono_mass 309.084851839 ChemAxon smiles O[C@@H]1[C@@H](O)[C@H](OC2=CNC3=CC=CC=C23)O[C@@H]([C@H]1O)C(O)=O ChemAxon formula C14H15NO7 ChemAxon inchi InChI=1S/C14H15NO7/c16-9-10(17)12(13(19)20)22-14(11(9)18)21-8-5-15-7-4-2-1-3-6(7)8/h1-5,9-12,14-18H,(H,19,20)/t9-,10-,11+,12-,14+/m0/s1 ChemAxon inchikey KUYNOZVWCFXSNE-BYNIDDHOSA-N ChemAxon polar_surface_area 132.24 ChemAxon refractivity 71.14 ChemAxon polarizability 29.18 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 7 ChemAxon donor_count 5 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Metabolism and Physiological Effects of Indoxyl glucuronide SMP0123239 Specdb::MsMs 55491 Specdb::MsMs 55492 Specdb::MsMs 55493 Specdb::MsMs 110649 Specdb::MsMs 110650 Specdb::MsMs 110651 Specdb::MsMs 2227641 Specdb::MsMs 2229494 Specdb::MsMs 2230000 Specdb::MsMs 2231928 Specdb::MsMs 2232250 Specdb::MsMs 2234298 Specdb::MsMs 2234670 Specdb::MsMs 2305239 Specdb::MsMs 2305240 Specdb::MsMs 2305241 Specdb::MsMs 2657749 Specdb::MsMs 2657750 Specdb::MsMs 2657751 Specdb::NmrOneD 92252 Specdb::NmrOneD 92253 Specdb::NmrOneD 92254 Specdb::NmrOneD 92255 Specdb::NmrOneD 92256 Specdb::NmrOneD 92257 Specdb::NmrOneD 92258 Specdb::NmrOneD 92259 Specdb::NmrOneD 92260 Specdb::NmrOneD 92261 Specdb::NmrOneD 92262 Specdb::NmrOneD 92263 Specdb::NmrOneD 92264 Specdb::NmrOneD 92265 Specdb::NmrOneD 92266 Specdb::NmrOneD 92267 Specdb::NmrOneD 92268 Specdb::NmrOneD 92269 Specdb::NmrOneD 92270 Specdb::NmrOneD 92271 Specdb::CMs 19053 Specdb::CMs 39444 Specdb::CMs 130338 Specdb::CMs 138072 HMDB10319 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 1-3 P35503 UGT1A3 UDP-glucuronosyltransferase 1-4 P22310 UGT1A4 UDP-glucuronosyltransferase 1-5 P35504 UGT1A5 UDP-glucuronosyltransferase 1-6 P19224 UGT1A6 UDP-glucuronosyltransferase 1-9 O60656 UGT1A9 UDP-glucuronosyltransferase 2A1 Q9Y4X1 UGT2A1 UDP-glucuronosyltransferase 2A3 Q6UWM9 UGT2A3 UDP-glucuronosyltransferase 2B11 O75310 UGT2B11 UDP-glucuronosyltransferase 2B15 P54855 UGT2B15 UDP-glucuronosyltransferase 2B17 O75795 UGT2B17 UDP-glucuronosyltransferase 2B28 Q9BY64 UGT2B28 UDP-glucuronosyltransferase 2B4 P06133 UGT2B4 UDP-glucuronosyltransferase 2B7 P16662 UGT2B7