1.0 2016-09-30 23:26:17 UTC 2020-05-21 16:28:55 UTC BMDB0006809 BMDB06809 Nicotinate D-ribonucleoside Nicotinate D-ribonucleoside, also known as nicotinate d-ribonucleoside or beta-Nicotinate d-ribonucleoside, 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). Nicotinate D-ribonucleoside is possibly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Nicotinate D-ribonucleoside exists in all living species, ranging from bacteria to humans. Nicotinate D-ribonucleoside participates in a number of enzymatic reactions, within cattle. In particular, Nicotinate D-ribonucleoside can be converted into nicotinic acid mononucleotide through the action of the enzyme nicotinamide riboside kinase 1. In addition, Nicotinate D-ribonucleoside can be biosynthesized from nicotinic acid mononucleotide; which is catalyzed by the enzyme cytosolic purine 5'-nucleotidase. In cattle, nicotinate D-ribonucleoside is involved in the metabolic pathway called the nicotinate and nicotinamide metabolism pathway. Nicotinic acid riboside beta-D-Ribosylnicotinate Nicotinate riboside b-D-Ribosylnicotinate b-D-Ribosylnicotinic acid beta-D-Ribosylnicotinic acid Β-D-ribosylnicotinate Β-D-ribosylnicotinic acid Nicotinic acid D-ribonucleoside D-Ribosylnicotinate Nicotinic acid ribose Ribosylnicotinate Nicotinate ribonucleoside Nicotinate ribose Nicotinic acid ribonucleoside 3-Carboxy-1-beta-D-ribofuranosylpyridinium 3-Carboxy-1-β-D-ribofuranosylpyridinium Nicotinic riboside 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). Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Glycosylamines 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 Aromatic heteromonocyclic compounds pyridine nucleoside Solid logp -1.87 ALOGPS logs -1.74 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 number_of_rings 2 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Nicotinate and Nicotinamide Metabolism SMP0087241 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::CMs 2912 Specdb::CMs 39097 Specdb::CMs 132666 Specdb::CMs 140400 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 FDB024094 141636 161234 C05841 27748 CPD-8259 46613 BMDBP00149 Cytosolic purine 5'-nucleotidase O46411 NT5C2 Enzyme BMDBP02945 Nicotinamide riboside kinase 1 F1N5H1 NMRK1 Enzyme