1.02011-09-21 01:25:43 UTC2015-07-21 06:59:08 UTCFDB0275146-Hydroxy-5-methoxyindole glucuronide6-Hydroxy-5-methoxyindole glucuronide is a natural human metabolite of 6-hydroxy-5-methoxyindole 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]5-methoxy-1H-indol-6-yl-beta-D-Glucopyranosiduronic acid5-methoxy-1H-indol-6-yl-beta-delta-Glucopyranosiduronic acid5-Methoxyindol-6-yl D-glucosiduronic acid6-hydroxy-5-methoxyindole glucuronosideC15H17NO8339.2974339.095416525(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(5-methoxy-1H-indol-6-yl)oxy]oxane-2-carboxylic acid(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(5-methoxy-1H-indol-6-yl)oxy]oxane-2-carboxylic acid77463-72-0COC1=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C2NC=CC2=C1InChI=1S/C15H17NO8/c1-22-8-4-6-2-3-16-7(6)5-9(8)23-15-12(19)10(17)11(18)13(24-15)14(20)21/h2-5,10-13,15-19H,1H3,(H,20,21)/t10-,11-,12+,13-,15+/m0/s1NECCHCPFFUXUOB-DKBOKBLXSA-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 glycosidesOrganic compoundsOrganic oxygen compoundsOrganooxygen compoundsCarbohydrates and carbohydrate conjugatesAromatic heteropolycyclic compoundsAcetalsAlkyl aryl ethersAnisolesAzacyclic compoundsBeta hydroxy acids and derivativesCarbonyl compoundsCarboxylic acidsHeteroaromatic compoundsHydrocarbon derivativesIndolesMonocarboxylic acids and derivativesMonosaccharidesO-glucuronidesO-glycosyl compoundsOrganic oxidesOrganonitrogen compoundsOrganopnictogen compoundsOxacyclic compoundsOxanesPolyolsPyransPyrrolesSecondary alcohols1-o-glucuronideAcetalAlcoholAlkyl aryl etherAnisoleAromatic heteropolycyclic compoundAzacycleBenzenoidBeta-hydroxy acidCarbonyl groupCarboxylic acidCarboxylic acid derivativeEtherGlucuronic acid or derivativesHeteroaromatic compoundHydrocarbon derivativeHydroxy acidIndoleIndole or derivativesMonocarboxylic acid or derivativesMonosaccharideO-glucuronideO-glycosyl compoundOrganic nitrogen compoundOrganic oxideOrganoheterocyclic compoundOrganonitrogen compoundOrganopnictogen compoundOxacycleOxanePhenolic glycosidePolyolPyranPyrroleSecondary alcoholSolidlogp-0.14logs-1.51solubility1.04e+01 g/llogp-0.34pka_strongest_acidic3.29pka_strongest_basic-3.7iupac(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(5-methoxy-1H-indol-6-yl)oxy]oxane-2-carboxylic acidaverage_mass339.2974mono_mass339.095416525smilesCOC1=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C2NC=CC2=C1formulaC15H17NO8inchiInChI=1S/C15H17NO8/c1-22-8-4-6-2-3-16-7(6)5-9(8)23-15-12(19)10(17)11(18)13(24-15)14(20)21/h2-5,10-13,15-19H,1H3,(H,20,21)/t10-,11-,12+,13-,15+/m0/s1inchikeyNECCHCPFFUXUOB-DKBOKBLXSA-Npolar_surface_area141.47refractivity77.6polarizability32.12rotatable_bond_count4acceptor_count8donor_count5physiological_charge-1formal_charge0Specdb::CMs10628Specdb::CMs39483Specdb::CMs157394Specdb::MsMs73335Specdb::MsMs73336Specdb::MsMs73337Specdb::MsMs132492Specdb::MsMs132493Specdb::MsMs132494Specdb::MsMs2432014Specdb::MsMs2432015Specdb::MsMs2432016Specdb::MsMs2503247Specdb::MsMs2503248Specdb::MsMs2503249Specdb::NmrOneD92452Specdb::NmrOneD92453Specdb::NmrOneD92454Specdb::NmrOneD92455Specdb::NmrOneD92456Specdb::NmrOneD92457Specdb::NmrOneD92458Specdb::NmrOneD92459Specdb::NmrOneD92460Specdb::NmrOneD92461Specdb::NmrOneD92462Specdb::NmrOneD92463Specdb::NmrOneD92464Specdb::NmrOneD92465Specdb::NmrOneD92466Specdb::NmrOneD92467Specdb::NmrOneD92468Specdb::NmrOneD92469Specdb::NmrOneD92470Specdb::NmrOneD92471HMDB10362AnatidaeType 1specificAnatidae8830BeefaloType 1specificBos taurus X Bison bison297284BisonType 1specificBison bison9901BuffaloType 1specificBubalus bubalis89462Cattle (Beef, Veal)Type 1specificBos taurus9913ChickenType 1specificGallus gallus9031Columbidae (Dove, Pigeon)Type 1specificColumbidae8930DeerType 1specificCervidae9850Domestic goatType 1specificCapra aegagrus hircus9925Domestic pigType 1specificSus scrofa domestica9825ElkType 1specificCervus canadensis1574408EmuType 1specificDromaius novaehollandiae8790European rabbitType 1specificOryctolagus9984Greylag gooseType 1specificAnser anser8843Guinea henType 1specificNumida meleagris8996HorseType 1specificEquus caballus9796Mallard duckType 1specificAnas platyrhynchos8839Mountain hareType 1specificLepus timidus62621Mule deerType 1specificOdocoileus9871OstrichType 1specificStruthio camelus8801PheasantType 1specificPhasianus colchicus9054QuailType 1specificPhasianidae9005RabbitType 1specificLeporidae9979Rock ptarmiganType 1specificLagopus muta64668Sheep (Mutton, Lamb)Type 1specificOvis aries9940SquabType 1specificColumba8931TurkeyType 1specificMeleagris gallopavo9103Velvet duckType 1specificMelanitta fusca371864Wild boarType 1specificSus scrofa9823Beta-glucuronidaseP08236GUSBUDP-glucuronosyltransferase 1-1P22309UGT1A1UDP-glucuronosyltransferase 1-3P35503UGT1A3UDP-glucuronosyltransferase 1-4P22310UGT1A4UDP-glucuronosyltransferase 1-5P35504UGT1A5UDP-glucuronosyltransferase 1-6P19224UGT1A6UDP-glucuronosyltransferase 1-9O60656UGT1A9UDP-glucuronosyltransferase 2A1Q9Y4X1UGT2A1UDP-glucuronosyltransferase 2A3Q6UWM9UGT2A3UDP-glucuronosyltransferase 2B11O75310UGT2B11UDP-glucuronosyltransferase 2B15P54855UGT2B15UDP-glucuronosyltransferase 2B17O75795UGT2B17UDP-glucuronosyltransferase 2B28Q9BY64UGT2B28UDP-glucuronosyltransferase 2B4P06133UGT2B4UDP-glucuronosyltransferase 2B7P16662UGT2B7