1.0 2011-09-21 00:39:49 UTC 2015-07-21 06:58:00 UTC FDB024094 Nicotinate D-ribonucleoside Nicotinate D-ribonucleoside is involved in the nicotinate and nicotinamide metabolism pathways. Nicotinate D-ribonucleoside can be reversibly converted to nicotinate and nicotinate D-ribonucleoside by purine-nucleoside phosphorylase [EC:2.4.2.1] and 5'-nucleotidase [EC:3.1.3.5], respectively. [HMDB] D-ribosylnicotinate Nicotinate riboside Nicotinic acid D-ribonucleoside nicotinic acid ribose nicotinic acid riboside ribosylnicotinate C11H14NO6 256.232 256.082112185 3-carboxy-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1lambda5-pyridin-1-ylium 3-carboxy-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1lambda5-pyridin-1-ylium OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)[N+]1=CC(=CC=C1)C(O)=O InChI=1S/C11H13NO6/c13-5-7-8(14)9(15)10(18-7)12-3-1-2-6(4-12)11(16)17/h1-4,7-10,13-15H,5H2/p+1/t7-,8-,9-,10-/m1/s1 PUEDDPCUCPRQNY-ZYUZMQFOSA-O 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 heteromonocyclic compounds Azacyclic compounds Carboxylic acids Heteroaromatic compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic cations Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Pentoses Primary alcohols Pyridinecarboxylic acids Pyridinium derivatives Secondary alcohols Tetrahydrofurans Vinylogous amides Alcohol Aromatic heteromonocyclic compound Azacycle Carboxylic acid Carboxylic acid derivative Heteroaromatic compound Hydrocarbon derivative Monocarboxylic acid or derivatives Monosaccharide N-glycosyl compound Organic cation Organic nitrogen compound Organic oxide Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Oxacycle Pentose monosaccharide Primary alcohol Pyridine Pyridine carboxylic acid Pyridine carboxylic acid or derivatives Pyridinium Secondary alcohol Tetrahydrofuran Vinylogous amide pyridine nucleoside Solid logp -1.87 ALOGPS logs -1.74 ALOGPS solubility 5.34e+00 g/l ALOGPS logp -5.3 ChemAxon pka_strongest_acidic 2.76 ChemAxon pka_strongest_basic -3 ChemAxon iupac 3-carboxy-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1lambda5-pyridin-1-ylium ChemAxon average_mass 256.232 ChemAxon mono_mass 256.082112185 ChemAxon smiles OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)[N+]1=CC(=CC=C1)C(O)=O ChemAxon formula C11H14NO6 ChemAxon inchi InChI=1S/C11H13NO6/c13-5-7-8(14)9(15)10(18-7)12-3-1-2-6(4-12)11(16)17/h1-4,7-10,13-15H,5H2/p+1/t7-,8-,9-,10-/m1/s1 ChemAxon inchikey PUEDDPCUCPRQNY-ZYUZMQFOSA-O ChemAxon polar_surface_area 111.1 ChemAxon refractivity 59.01 ChemAxon polarizability 24.21 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 1 ChemAxon Nicotinate and Nicotinamide Metabolism SMP00048 map00760 Specdb::CMs 2912 Specdb::CMs 39097 Specdb::CMs 132666 Specdb::CMs 140400 Specdb::MsMs 179100 Specdb::MsMs 179101 Specdb::MsMs 179102 Specdb::MsMs 181425 Specdb::MsMs 181426 Specdb::MsMs 181427 Specdb::MsMs 2638357 Specdb::MsMs 2638358 Specdb::MsMs 2638359 Specdb::NmrOneD 91672 Specdb::NmrOneD 91673 Specdb::NmrOneD 91674 Specdb::NmrOneD 91675 Specdb::NmrOneD 91676 Specdb::NmrOneD 91677 Specdb::NmrOneD 91678 Specdb::NmrOneD 91679 Specdb::NmrOneD 91680 Specdb::NmrOneD 91681 Specdb::NmrOneD 91682 Specdb::NmrOneD 91683 Specdb::NmrOneD 91684 Specdb::NmrOneD 91685 Specdb::NmrOneD 91686 Specdb::NmrOneD 91687 Specdb::NmrOneD 91688 Specdb::NmrOneD 91689 Specdb::NmrOneD 91690 Specdb::NmrOneD 91691 HMDB06809 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 Cytosolic 5'-nucleotidase 3 Q9H0P0 NT5C3 Purine nucleoside phosphorylase P00491 PNP