1.0 2011-09-21 00:28:40 UTC 2015-07-21 06:57:39 UTC FDB023358 D-Glucosaminide D-Glucosaminide is an intermediate in the Human Aminosugars metabolism, the substrate of the enzyme di-N-acetyl-chitobiase [EC:3.2.1.-], from the Glycosidases class (i.e.: enzymes hydrolyzing O- and S-glycosyl compounds). (KEGG) [HMDB] 4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxa n-2-yl]oxy-6-(hydroxymethyl)oxane-2,4-diol C18H35N3O13 501.4828 501.216988221 (2R,3R,4R,5S,6R)-3-amino-5-{[(3R,4R,6R)-3-amino-5-{[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-(hydroxymethyl)oxane-2,4-diol D-glucosaminide 78341-33-0 N[C@H]1[C@H](O)O[C@H](CO)[C@@H](OC2O[C@H](CO)C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N)[C@H](O)[C@H]2N)[C@@H]1O InChI=1S/C18H35N3O13/c19-7-12(27)14(5(2-23)30-16(7)29)33-18-9(21)13(28)15(6(3-24)32-18)34-17-8(20)11(26)10(25)4(1-22)31-17/h4-18,22-29H,1-3,19-21H2/t4-,5-,6-,7-,8-,9-,10-,11-,12-,13-,14-,15?,16-,17+,18?/m1/s1 RQFQJYYMBWVMQG-KAPKVSAKSA-N belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds. Oligosaccharides Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aliphatic heteromonocyclic compounds 1,2-aminoalcohols Acetals Aminoglycosides Hemiacetals Hydrocarbon derivatives Monoalkylamines O-glycosyl compounds Organopnictogen compounds Oxacyclic compounds Oxanes Primary alcohols Secondary alcohols 1,2-aminoalcohol Acetal Alcohol Aliphatic heteromonocyclic compound Amine Amino saccharide Aminoglycoside core Glycosyl compound Hemiacetal Hydrocarbon derivative O-glycosyl compound Oligosaccharide Organic nitrogen compound Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Oxacycle Oxane Primary alcohol Primary aliphatic amine Primary amine Secondary alcohol Solid logp -3.03 ALOGPS logs -0.34 ALOGPS solubility 2.29e+02 g/l ALOGPS logp -6.8 ChemAxon pka_strongest_acidic 11.71 ChemAxon pka_strongest_basic 8.87 ChemAxon iupac (2R,3R,4R,5S,6R)-3-amino-5-{[(3R,4R,6R)-3-amino-5-{[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-(hydroxymethyl)oxane-2,4-diol ChemAxon average_mass 501.4828 ChemAxon mono_mass 501.216988221 ChemAxon smiles N[C@H]1[C@H](O)O[C@H](CO)[C@@H](OC2O[C@H](CO)C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N)[C@H](O)[C@H]2N)[C@@H]1O ChemAxon formula C18H35N3O13 ChemAxon inchi InChI=1S/C18H35N3O13/c19-7-12(27)14(5(2-23)30-16(7)29)33-18-9(21)13(28)15(6(3-24)32-18)34-17-8(20)11(26)10(25)4(1-22)31-17/h4-18,22-29H,1-3,19-21H2/t4-,5-,6-,7-,8-,9-,10-,11-,12-,13-,14-,15?,16-,17+,18?/m1/s1 ChemAxon inchikey RQFQJYYMBWVMQG-KAPKVSAKSA-N ChemAxon polar_surface_area 286.05 ChemAxon refractivity 105.72 ChemAxon polarizability 48.42 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 16 ChemAxon donor_count 11 ChemAxon physiological_charge 3 ChemAxon formal_charge 0 ChemAxon Amino Sugar Metabolism SMP00045 map00520 Specdb::MsMs 300103 Specdb::MsMs 300104 Specdb::MsMs 300105 Specdb::MsMs 342289 Specdb::MsMs 342290 Specdb::MsMs 342291 Specdb::MsMs 2740279 Specdb::MsMs 2740280 Specdb::MsMs 2740281 Specdb::MsMs 2939190 Specdb::MsMs 2939191 Specdb::MsMs 2939192 Specdb::NmrOneD 48042 Specdb::NmrOneD 48043 Specdb::NmrOneD 48044 Specdb::NmrOneD 48045 Specdb::NmrOneD 48046 Specdb::NmrOneD 48047 Specdb::NmrOneD 48048 Specdb::NmrOneD 48049 Specdb::NmrOneD 48050 Specdb::NmrOneD 48051 Specdb::NmrOneD 48052 Specdb::NmrOneD 48053 Specdb::NmrOneD 48054 Specdb::NmrOneD 48055 Specdb::NmrOneD 48056 Specdb::NmrOneD 48057 Specdb::NmrOneD 48058 Specdb::NmrOneD 48059 Specdb::NmrOneD 48060 Specdb::NmrOneD 48061 Specdb::CMs 15382 Specdb::CMs 38748 Specdb::CMs 167889 Specdb::CMs 167891 Specdb::CMs 167894 Specdb::CMs 167896 Specdb::CMs 167898 Specdb::CMs 167900 Specdb::CMs 167902 Specdb::CMs 167904 Specdb::CMs 167906 Specdb::CMs 167909 Specdb::CMs 167910 Specdb::CMs 167913 Specdb::CMs 167915 Specdb::CMs 167918 Specdb::CMs 167920 Specdb::CMs 167922 Specdb::CMs 280632 HMDB04270 35373 #<Reference:0x000055ce32d410b0> #<Reference:0x000055ce32d40ef8> #<Reference:0x000055ce32d40d40> 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 Di-N-acetylchitobiase Q01459 CTBS