1.0 2011-09-21 00:11:26 UTC 2020-04-21 18:02:11 UTC FDB022279 N-Acetyl-beta-D-galactosamine N-Acetyl-b-D-galactosamine is an oligosaccharide residue found in the lining and glandular epithelium, the stroma and the vessels (capillary and large vessels of the human postmenopausal endometrium. (PMID: 8930627) It is suspected that N-Acetyl-b-D-galactosamine is a molecule that binds to IgA in the glomerular mesangium in Henoch-Schoenlein purpura associated nephropathy (the most common vasculitis of childhood). (PMID: 10732728) [HMDB] 2-acetamido-2-Deoxy-b-D-galactopyranoside 2-acetamido-2-Deoxy-beta-D-galactopyranoside 2-acetamido-2-Deoxy-β-D-galactopyranoside 2-Deoxy-2-acetamido-b-D-galactopyranose 2-Deoxy-2-acetamido-beta-D-galactopyranose 2-Deoxy-2-acetamido-beta-delta-galactopyranose b-D-2-acetamido-2-deoxy-Galactopyranose b-GalNAc b-N-Acetyl-D-galactosamine b-N-Acetylgalactosamine beta-D-2-acetamido-2-deoxy-Galactopyranose beta-delta-2-acetamido-2-deoxy-Galactopyranose beta-GalNAc beta-N-Acetyl-D-galactosamine beta-N-Acetyl-delta-galactosamine beta-N-Acetylgalactosamine BGalNAc N-Acetyl-b-D-galactosamine N-Acetyl-β-D-galactosamine β-galnac C8H15NO6 221.2078 221.089937217 N-[(2R,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide N-acetyl-β-D-galactosamine 14131-60-3 CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@H](O)[C@@H]1O InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8-/m1/s1 OVRNDRQMDRJTHS-JAJWTYFOSA-N belongs to the class of organic compounds known as n-acyl-alpha-hexosamines. These are carbohydrate derivatives containing a hexose moiety in which the oxygen atom is replaced by an n-acyl group. N-acyl-alpha-hexosamines Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aliphatic heteromonocyclic compounds Carboximidic acids Hemiacetals Hexoses Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Propargyl-type 1,3-dipolar organic compounds Secondary alcohols Alcohol Aliphatic heteromonocyclic compound Carboximidic acid Carboximidic acid derivative Hemiacetal Hexose monosaccharide Hydrocarbon derivative Monosaccharide N-acyl-alpha-hexosamine Organic 1,3-dipolar compound Organic nitrogen compound Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Oxacycle Oxane Polyol Primary alcohol Propargyl-type 1,3-dipolar organic compound Secondary alcohol N-acetyl-D-galactosamine Solid logp -2.60 ALOGPS logs 0.06 ALOGPS solubility 2.54e+02 g/l ALOGPS logp -3.2 ChemAxon pka_strongest_acidic 11.6 ChemAxon pka_strongest_basic -0.78 ChemAxon iupac N-[(2R,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide ChemAxon average_mass 221.2078 ChemAxon mono_mass 221.089937217 ChemAxon smiles CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@H](O)[C@@H]1O ChemAxon formula C8H15NO6 ChemAxon inchi InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8-/m1/s1 ChemAxon inchikey OVRNDRQMDRJTHS-JAJWTYFOSA-N ChemAxon polar_surface_area 119.25 ChemAxon refractivity 47.02 ChemAxon polarizability 21.04 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 6 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 7802 Specdb::NmrOneD 7803 Specdb::NmrOneD 7804 Specdb::NmrOneD 7805 Specdb::NmrOneD 7806 Specdb::NmrOneD 7807 Specdb::NmrOneD 7808 Specdb::NmrOneD 7809 Specdb::NmrOneD 7810 Specdb::NmrOneD 7811 Specdb::NmrOneD 7812 Specdb::NmrOneD 7813 Specdb::NmrOneD 7814 Specdb::NmrOneD 7815 Specdb::NmrOneD 7816 Specdb::NmrOneD 7817 Specdb::NmrOneD 7818 Specdb::NmrOneD 7819 Specdb::NmrOneD 7820 Specdb::NmrOneD 7821 Specdb::MsMs 23027 Specdb::MsMs 23028 Specdb::MsMs 23029 Specdb::MsMs 29825 Specdb::MsMs 29826 Specdb::MsMs 29827 Specdb::MsMs 3043759 Specdb::MsMs 3043760 Specdb::MsMs 3043761 Specdb::MsMs 3100048 Specdb::MsMs 3100049 Specdb::MsMs 3100050 Specdb::CMs 13451 Specdb::CMs 37804 Specdb::CMs 145838 Specdb::CMs 1080134 Specdb::CMs 1080135 Specdb::CMs 1080137 Specdb::CMs 1080139 Specdb::CMs 1080141 Specdb::CMs 1080143 Specdb::CMs 1080145 Specdb::CMs 1080147 Specdb::CMs 1080148 Specdb::CMs 1080150 Specdb::CMs 1080152 Specdb::CMs 1080154 Specdb::CMs 1080156 Specdb::CMs 1080158 Specdb::CMs 1080160 Specdb::CMs 1080162 Specdb::CMs 1080164 Specdb::CMs 1080166 Specdb::CMs 1080168 Specdb::CMs 1080170 Specdb::CMs 1080172 Specdb::CMs 1080173 HMDB00853 NGA #<Reference:0x000055ce3009b920> #<Reference:0x000055ce3009b768> #<Reference:0x000055ce3009b560> #<Reference:0x000055ce3009b380> #<Reference:0x000055ce3009b178> 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 Alpha-N-acetylgalactosaminidase P17050 NAGA Beta-hexosaminidase subunit alpha P06865 HEXA Beta-hexosaminidase subunit beta P07686 HEXB N-acetylgalactosamine kinase Q01415 GALK2