1.02011-09-21 01:25:18 UTC2015-07-21 06:59:08 UTCFDB027496Vitamin D2 3-glucuronideVitamin D2 3-glucuronide is a natural human metabolite of Vitamin D2 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](3beta,5Z,7E,22E)-9,10-secoergosta-5,7,10(19),22-tetraen-3-yl-beta-D-Glucopyranosiduronic acid(3beta,5Z,7E,22E)-9,10-secoergosta-5,7,10(19),22-tetraen-3-yl-beta-delta-Glucopyranosiduronic acidVitamin D2 3beta-glucosiduronatevitamin D2 glucosiduronateC34H52O7572.7725572.371304018(2S,3S,4S,5R,6R)-6-[(3-{2-[(1R,7aR)-1-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexyl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid(2S,3S,4S,5R,6R)-6-[(3-{2-[(1R,7aR)-1-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-hexahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexyl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid[H]C(=C[C@@]([H])(C)[C@@]1([H])CCC2C(CCC[C@]12C)=CC=C1CC(CCC1=C)O[C@]1([H])O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O)[C@]([H])(C)C(C)CInChI=1S/C34H52O7/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-34(26,27)6)12-13-24-18-25(14-11-21(24)4)40-33-30(37)28(35)29(36)31(41-33)32(38)39/h9-10,12-13,19-20,22,25-31,33,35-37H,4,7-8,11,14-18H2,1-3,5-6H3,(H,38,39)/t20-,22+,25?,26+,27?,28-,29-,30+,31-,33+,34+/m0/s1NLCXHIGBBJLZMX-JQIRWPFHSA-N belongs to the class of organic compounds known as vitamin d and derivatives. Vitamin D and derivatives are compounds containing a secosteroid backbone, usually secoergostane or secocholestane.Vitamin D and derivativesOrganic compoundsLipids and lipid-like moleculesSteroids and steroid derivativesVitamin D and derivativesAliphatic heteropolycyclic compoundsAcetalsBeta hydroxy acids and derivativesCarbonyl compoundsCarboxylic acidsHexosesHydrocarbon derivativesMonocarboxylic acids and derivativesO-glucuronidesO-glycosyl compoundsOrganic oxidesOxacyclic compoundsOxanesPolyolsPyransSecondary alcoholsTriterpenoids1-o-glucuronideAcetalAlcoholAliphatic heteropolycyclic compoundBeta-hydroxy acidCarbonyl groupCarboxylic acidCarboxylic acid derivativeGlucuronic acid or derivativesGlycosyl compoundHexose monosaccharideHydrocarbon derivativeHydroxy acidMonocarboxylic acid or derivativesMonosaccharideO-glucuronideO-glycosyl compoundOrganic oxideOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacycleOxanePolyolPyranSecondary alcoholTriterpenoidSolidlogp5.40logs-4.82solubility8.58e-03 g/llogp5.6pka_strongest_acidic3.56pka_strongest_basic-3.7iupac(2S,3S,4S,5R,6R)-6-[(3-{2-[(1R,7aR)-1-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexyl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acidaverage_mass572.7725mono_mass572.371304018smiles[H]C(=C[C@@]([H])(C)[C@@]1([H])CCC2C(CCC[C@]12C)=CC=C1CC(CCC1=C)O[C@]1([H])O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O)[C@]([H])(C)C(C)CformulaC34H52O7inchiInChI=1S/C34H52O7/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-34(26,27)6)12-13-24-18-25(14-11-21(24)4)40-33-30(37)28(35)29(36)31(41-33)32(38)39/h9-10,12-13,19-20,22,25-31,33,35-37H,4,7-8,11,14-18H2,1-3,5-6H3,(H,38,39)/t20-,22+,25?,26+,27?,28-,29-,30+,31-,33+,34+/m0/s1inchikeyNLCXHIGBBJLZMX-JQIRWPFHSA-Npolar_surface_area116.45refractivity161.17polarizability65.63rotatable_bond_count8acceptor_count7donor_count4physiological_charge-1formal_charge0HMDB10344AnatidaeType 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