1.0 2011-09-21 01:46:13 UTC 2015-07-21 06:59:33 UTC FDB028856 Dihydrozeatin-7-N-dihydrozeatin A human metabolite taken as a putative food compound of mammalian origin [HMDB] C16H25N5O6 383.3996 383.180483557 (2R,3R,4S,5S,6R)-2-{6-[(4-hydroxy-3-methylbutyl)amino]-7H-purin-7-yl}-6-(hydroxymethyl)oxane-3,4,5-triol (2R,3R,4S,5S,6R)-2-{6-[(4-hydroxy-3-methylbutyl)amino]purin-7-yl}-6-(hydroxymethyl)oxane-3,4,5-triol CC(CO)CCNC1=NC=NC2=C1N(C=N2)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O InChI=1S/C16H25N5O6/c1-8(4-22)2-3-17-14-10-15(19-6-18-14)20-7-21(10)16-13(26)12(25)11(24)9(5-23)27-16/h6-9,11-13,16,22-26H,2-5H2,1H3,(H,17,18,19)/t8?,9-,11-,12+,13-,16-/m1/s1 WSELIHNWDGFXRQ-UFZVAZPKSA-N belongs to the class of organic compounds known as glycosylamines. Glycosylamines are compounds consisting of an amine with a beta-N-glycosidic bond to a carbohydrate, thus forming a cyclic hemiaminal ether bond (alpha-amino ether). Glycosylamines Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aromatic heteropolycyclic compounds 6-alkylaminopurines Aminopyrimidines and derivatives Azacyclic compounds Heteroaromatic compounds Hexoses Hydrocarbon derivatives Imidolactams N-substituted imidazoles Organopnictogen compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Secondary alkylarylamines 6-alkylaminopurine 6-aminopurine Alcohol Amine Aminopyrimidine Aromatic heteropolycyclic compound Azacycle Azole Heteroaromatic compound Hexose monosaccharide Hydrocarbon derivative Imidazole Imidazopyrimidine Imidolactam Monosaccharide N-glycosyl compound N-substituted imidazole Organic nitrogen compound Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Oxacycle Oxane Polyol Primary alcohol Purine Pyrimidine Secondary alcohol Secondary aliphatic/aromatic amine Secondary amine Solid logp -0.72 ALOGPS logs -1.75 ALOGPS solubility 6.89e+00 g/l ALOGPS logp -2.2 ChemAxon pka_strongest_acidic 12.36 ChemAxon pka_strongest_basic 5.13 ChemAxon iupac (2R,3R,4S,5S,6R)-2-{6-[(4-hydroxy-3-methylbutyl)amino]-7H-purin-7-yl}-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 383.3996 ChemAxon mono_mass 383.180483557 ChemAxon smiles CC(CO)CCNC1=NC=NC2=C1N(C=N2)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ChemAxon formula C16H25N5O6 ChemAxon inchi InChI=1S/C16H25N5O6/c1-8(4-22)2-3-17-14-10-15(19-6-18-14)20-7-21(10)16-13(26)12(25)11(24)9(5-23)27-16/h6-9,11-13,16,22-26H,2-5H2,1H3,(H,17,18,19)/t8?,9-,11-,12+,13-,16-/m1/s1 ChemAxon inchikey WSELIHNWDGFXRQ-UFZVAZPKSA-N ChemAxon polar_surface_area 166.01 ChemAxon refractivity 96.55 ChemAxon polarizability 38.64 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 10 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23967 Specdb::CMs 39865 Specdb::MsMs 319123 Specdb::MsMs 319124 Specdb::MsMs 319125 Specdb::MsMs 366118 Specdb::MsMs 366119 Specdb::MsMs 366120 HMDB12211 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