1.0 2011-09-21 00:14:05 UTC 2015-07-21 06:57:12 UTC FDB022444 Nicotinic acid mononucleotide Nicotinic acid mononucleotide is an intermediate in the metabolism of Nicotinate and nicotinamide. It is a substrate for Ectonucleotide pyrophosphatase/phosphodiesterase 2, Ectonucleotide pyrophosphatase/phosphodiesterase 1, Nicotinamide mononucleotide adenylyltransferase 3, Cytosolic 5'-nucleotidase IA, Cytosolic 5'-nucleotidase IB, Nicotinate-nucleotide pyrophosphorylase, 5'(3')-deoxyribonucleotidase (cytosolic type), Cytosolic purine 5'-nucleotidase, Nicotinamide mononucleotide adenylyltransferase 2, Ectonucleotide pyrophosphatase/phosphodiesterase 3, 5'-nucleotidase, 5'(3')-deoxyribonucleotidase (mitochondrial) and Nicotinamide mononucleotide adenylyltransferase 1. [HMDB] 3-Carboxy-1-(5-O-ONO-b-D-ribofuranosyl)-pyridinium inner salt 3-Carboxy-1-(5-O-ONO-beta-D-ribofuranosyl)-pyridinium inner salt 3-Carboxy-1-(5-O-ONO-beta-delta-ribofuranosyl)-pyridinium inner salt 3-Carboxy-1-beta-D-ribofuranosylpyridinium hydroxide 5'-ate inner salt 3-Carboxy-1-beta-delta-ribofuranosylpyridinium hydroxide 5'-ate inner salt 3-Pyridinecarboxylic acid mononucleotide Beta-nicotinate D-ribonucleotide beta-Nicotinic acid mononucleotide Deamido nicotinamide ribonucleotide deamido-nicotinamide mononucleotide Deamido-NMN NaMN Nicotinate D-ribonucleoside Nicotinate D-ribonucleotide Nicotinate mononucleotide nicotinate nucleotide nicotinate ribonucleotide nicotinate-D-ribonucleotide nicotinate-delta-ribonucleotide Nicotinic acid mononucleotide Nicotinic acid ribonucleotide Nicotinic acid ribotide Nicotinic mononucleotide C11H16NO9P 337.2198 337.056267627 3-carboxy-1-[(2R,3R,4S,5R)-5-[(hydrogen phosphonatooxy)methyl]-3,4-dihydroxyoxolan-2-yl]-2,3-dihydro-1λ⁵-pyridin-1-ylium 3-carboxy-1-[(2R,3R,4S,5R)-5-[(hydrogen phosphonatooxy)methyl]-3,4-dihydroxyoxolan-2-yl]-2,3-dihydro-1λ⁵-pyridin-1-ylium 321-02-8 O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)([O-])=O)[N+]1=CC=CC(C1)C(O)=O InChI=1S/C11H16NO9P/c13-8-7(5-20-22(17,18)19)21-10(9(8)14)12-3-1-2-6(4-12)11(15)16/h1-3,6-10,13-14H,4-5H2,(H2-,15,16,17,18,19)/t6?,7-,8-,9-,10-/m1/s1 OGCWVIVNTBZPBW-BHRXDNSCSA-N This compound belongs to the class of organic compounds known as pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups. Pentose phosphates Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aliphatic heteromonocyclic compounds 1,2-diols Alkyl phosphates Azacyclic compounds Carbonyl compounds Carboxylic acids Glycosylamines Hydrocarbon derivatives Monocarboxylic acids and derivatives Monosaccharide phosphates Organic oxides Organic zwitterions Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Secondary alcohols Tetrahydrofurans 1,2-diol Alcohol Aliphatic heteromonocyclic compound Alkyl phosphate Azacycle Carbonyl group Carboxylic acid Carboxylic acid derivative Glycosyl compound Hydrocarbon derivative Monocarboxylic acid or derivatives Monosaccharide phosphate N-glycosyl compound Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic phosphoric acid derivative Organic zwitterion Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Oxacycle Pentose phosphate Pentose-5-phosphate Phosphoric acid ester Propargyl-type 1,3-dipolar organic compound Secondary alcohol Tetrahydrofuran Solid logp 0.18 ALOGPS logs -1.60 ALOGPS solubility 9.83e+00 g/l ALOGPS logp -5.5 ChemAxon pka_strongest_acidic 1.21 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 3-carboxy-1-[(2R,3R,4S,5R)-5-[(hydrogen phosphonatooxy)methyl]-3,4-dihydroxyoxolan-2-yl]-2,3-dihydro-1λ⁵-pyridin-1-ylium ChemAxon average_mass 337.2198 ChemAxon mono_mass 337.056267627 ChemAxon smiles O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)([O-])=O)[N+]1=CC=CC(C1)C(O)=O ChemAxon formula C11H16NO9P ChemAxon inchi InChI=1S/C11H16NO9P/c13-8-7(5-20-22(17,18)19)21-10(9(8)14)12-3-1-2-6(4-12)11(15)16/h1-3,6-10,13-14H,4-5H2,(H2-,15,16,17,18,19)/t6?,7-,8-,9-,10-/m1/s1 ChemAxon inchikey OGCWVIVNTBZPBW-BHRXDNSCSA-N ChemAxon polar_surface_area 159.59 ChemAxon refractivity 80.91 ChemAxon polarizability 28.69 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 8 ChemAxon donor_count 4 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Nicotinate and Nicotinamide Metabolism SMP00048 map00760 Specdb::CMs 14125 Specdb::CMs 37941 Specdb::MsMs 180237 Specdb::MsMs 180238 Specdb::MsMs 180239 Specdb::MsMs 182571 Specdb::MsMs 182572 Specdb::MsMs 182573 Specdb::NmrOneD 343388 Specdb::NmrOneD 343389 Specdb::NmrOneD 343390 Specdb::NmrOneD 343391 Specdb::NmrOneD 343392 Specdb::NmrOneD 343393 Specdb::NmrOneD 343394 Specdb::NmrOneD 343395 Specdb::NmrOneD 343396 Specdb::NmrOneD 343397 Specdb::NmrOneD 343398 Specdb::NmrOneD 343399 Specdb::NmrOneD 343400 Specdb::NmrOneD 343401 Specdb::NmrOneD 343402 Specdb::NmrOneD 343403 Specdb::NmrOneD 343404 Specdb::NmrOneD 343405 Specdb::NmrOneD 343406 Specdb::NmrOneD 343407 HMDB01132 15763 1L4F 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