1.02011-09-21 01:24:58 UTC2015-07-21 06:59:07 UTCFDB027475Phenethylamine glucuronidePhenethylamine glucuronide is a natural human metabolite of Phenethylamine 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]C14H19NO6297.3038297.121237345(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2-phenylethyl)amino]oxane-2-carboxylic acidphenethylamine glucuronideO[C@@H]1[C@@H](O)[C@H](NCCC2=CC=CC=C2)O[C@@H]([C@H]1O)C(O)=OInChI=1S/C14H19NO6/c16-9-10(17)12(14(19)20)21-13(11(9)18)15-7-6-8-4-2-1-3-5-8/h1-5,9-13,15-18H,6-7H2,(H,19,20)/t9-,10-,11+,12-,13+/m0/s1OYNLGXUYULDVEJ-IEECTRCBSA-N belongs to the class of organic compounds known as n-glucuronides. These are glucuronides in which the aglycone is linked to the carbohydrate unit through a N-glycosidic bond.N-glucuronidesOrganic compoundsOrganic oxygen compoundsOrganooxygen compoundsCarbohydrates and carbohydrate conjugatesAromatic heteromonocyclic compoundsAmino acidsBenzene and substituted derivativesBeta hydroxy acids and derivativesCarbonyl compoundsCarboxylic acidsDialkylaminesGlycosylaminesHemiaminalsHydrocarbon derivativesMonocarboxylic acids and derivativesMonosaccharidesOrganic oxidesOrganopnictogen compoundsOxacyclic compoundsOxanesPolyolsPyransSecondary alcohols1-n-glucuronideAlcoholAmineAmino acidAmino acid or derivativesAromatic heteromonocyclic compoundBenzenoidBeta-hydroxy acidCarbonyl groupCarboxylic acidCarboxylic acid derivativeGlycosyl compoundHemiaminalHydrocarbon derivativeHydroxy acidMonocarboxylic acid or derivativesMonocyclic benzene moietyMonosaccharideN-glucuronideN-glycosyl compoundOrganic nitrogen compoundOrganic oxideOrganoheterocyclic compoundOrganonitrogen compoundOrganopnictogen compoundOxacycleOxanePolyolPyranSecondary alcoholSecondary aliphatic amineSecondary amineSolidlogp-1.46logs-1.16solubility2.07e+01 g/llogp-2.7pka_strongest_acidic3.3pka_strongest_basic7.81iupac(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2-phenylethyl)amino]oxane-2-carboxylic acidaverage_mass297.3038mono_mass297.121237345smilesO[C@@H]1[C@@H](O)[C@H](NCCC2=CC=CC=C2)O[C@@H]([C@H]1O)C(O)=OformulaC14H19NO6inchiInChI=1S/C14H19NO6/c16-9-10(17)12(14(19)20)21-13(11(9)18)15-7-6-8-4-2-1-3-5-8/h1-5,9-13,15-18H,6-7H2,(H,19,20)/t9-,10-,11+,12-,13+/m0/s1inchikeyOYNLGXUYULDVEJ-IEECTRCBSA-Npolar_surface_area119.25refractivity71.59polarizability29.88rotatable_bond_count5acceptor_count7donor_count5physiological_charge0formal_charge0Specdb::CMs17830Specdb::CMs39447Specdb::CMs174696Specdb::MsMs305482Specdb::MsMs305483Specdb::MsMs305484Specdb::MsMs348904Specdb::MsMs348905Specdb::MsMs348906Specdb::MsMs2352967Specdb::MsMs2352968Specdb::MsMs2352969Specdb::MsMs2585683Specdb::MsMs2585684Specdb::MsMs2585685Specdb::NmrOneD92292Specdb::NmrOneD92293Specdb::NmrOneD92294Specdb::NmrOneD92295Specdb::NmrOneD92296Specdb::NmrOneD92297Specdb::NmrOneD92298Specdb::NmrOneD92299Specdb::NmrOneD92300Specdb::NmrOneD92301Specdb::NmrOneD92302Specdb::NmrOneD92303Specdb::NmrOneD92304Specdb::NmrOneD92305Specdb::NmrOneD92306Specdb::NmrOneD92307Specdb::NmrOneD92308Specdb::NmrOneD92309Specdb::NmrOneD92310Specdb::NmrOneD92311HMDB10323Beta-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