1.0 2011-09-21 01:25:05 UTC 2015-07-21 06:59:07 UTC FDB027481 Dopamine glucuronide Dopamine glucuronide is a natural human metabolite of Dopamine 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] 4-(2-aminoethyl)-2-hydroxyphenyl beta-D-glucopyranosiduronate 4-(2-aminoethyl)-2-hydroxyphenyl beta-D-glucopyranosiduronic acid 4-(2-aminoethyl)-2-hydroxyphenyl beta-delta-glucopyranosiduronate 4-(2-aminoethyl)-2-hydroxyphenyl beta-delta-Glucopyranosiduronic acid Dopamine-4-O-glucuronide C14H19NO8 329.3026 329.111066589 (2S,3S,4S,5R,6S)-6-[4-(2-aminoethyl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid dopamine glucuronide 38632-24-5 NCCC1=CC(O)=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C1 InChI=1S/C14H19NO8/c15-4-3-6-1-2-8(7(16)5-6)22-14-11(19)9(17)10(18)12(23-14)13(20)21/h1-2,5,9-12,14,16-19H,3-4,15H2,(H,20,21)/t9-,10-,11+,12-,14+/m0/s1 CQASRCDNLNMIJY-BYNIDDHOSA-N belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. Phenolic glycosides Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aromatic heteromonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 2-arylethylamines Acetals Amino acids Aralkylamines Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Hexoses Hydrocarbon derivatives Monoalkylamines Monocarboxylic acids and derivatives O-glucuronides O-glycosyl compounds Organic oxides Organopnictogen compounds Oxacyclic compounds Oxanes Phenethylamines Phenol ethers Phenoxy compounds Polyols Pyrans Secondary alcohols 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 1-o-glucuronide 2-arylethylamine Acetal Alcohol Amine Amino acid Amino acid or derivatives Aralkylamine Aromatic heteromonocyclic compound Benzenoid Beta-hydroxy acid Carbonyl group Carboxylic acid Carboxylic acid derivative Glucuronic acid or derivatives Hexose monosaccharide Hydrocarbon derivative Hydroxy acid Monocarboxylic acid or derivatives Monocyclic benzene moiety Monosaccharide O-glucuronide O-glycosyl compound Organic nitrogen compound Organic oxide Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Oxacycle Oxane Phenethylamine Phenol Phenol ether Phenolic glycoside Phenoxy compound Polyol Primary aliphatic amine Primary amine Pyran Secondary alcohol Solid logp -2.12 ALOGPS logs -1.29 ALOGPS solubility 1.70e+01 g/l ALOGPS logp -3.4 ChemAxon pka_strongest_acidic 2.79 ChemAxon pka_strongest_basic 9.5 ChemAxon iupac (2S,3S,4S,5R,6S)-6-[4-(2-aminoethyl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid ChemAxon average_mass 329.3026 ChemAxon mono_mass 329.111066589 ChemAxon smiles NCCC1=CC(O)=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C1 ChemAxon formula C14H19NO8 ChemAxon inchi InChI=1S/C14H19NO8/c15-4-3-6-1-2-8(7(16)5-6)22-14-11(19)9(17)10(18)12(23-14)13(20)21/h1-2,5,9-12,14,16-19H,3-4,15H2,(H,20,21)/t9-,10-,11+,12-,14+/m0/s1 ChemAxon inchikey CQASRCDNLNMIJY-BYNIDDHOSA-N ChemAxon polar_surface_area 162.7 ChemAxon refractivity 75.26 ChemAxon polarizability 31.45 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 9 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15813 Specdb::CMs 39452 Specdb::CMs 147668 Specdb::CMs 158758 Specdb::CMs 279630 Specdb::MsMs 96603 Specdb::MsMs 96604 Specdb::MsMs 96605 Specdb::MsMs 161124 Specdb::MsMs 161125 Specdb::MsMs 161126 Specdb::MsMs 2298891 Specdb::MsMs 2298892 Specdb::MsMs 2298893 Specdb::MsMs 2639506 Specdb::MsMs 2639507 Specdb::MsMs 2639508 Specdb::NmrOneD 92372 Specdb::NmrOneD 92373 Specdb::NmrOneD 92374 Specdb::NmrOneD 92375 Specdb::NmrOneD 92376 Specdb::NmrOneD 92377 Specdb::NmrOneD 92378 Specdb::NmrOneD 92379 Specdb::NmrOneD 92380 Specdb::NmrOneD 92381 Specdb::NmrOneD 92382 Specdb::NmrOneD 92383 Specdb::NmrOneD 92384 Specdb::NmrOneD 92385 Specdb::NmrOneD 92386 Specdb::NmrOneD 92387 Specdb::NmrOneD 92388 Specdb::NmrOneD 92389 Specdb::NmrOneD 92390 Specdb::NmrOneD 92391 HMDB10329 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