1.0 2011-09-21 00:26:49 UTC 2015-07-21 06:57:36 UTC FDB023243 N1-(5-Phospho-alpha-D-ribosyl)-5,6-dimethylbenzimidazole N1-(5-Phospho-alpha-D-ribosyl)-5,6-dimethylbenzimidazole (or alpha-ribazole-5'-Phosphate) is an intermediate in Riboflavin metabolism. In particular, alpha-Ribazole 5'-phosphate is converted from Dimethylbenzimidazole via the enzyme nicotinate-nucleotide-dimethylbenzimidazole phosphoribosyltransferase (EC 2.4.2.21). It is then converted to alpha-Ribazole via the enzyme (EC 3.1.3.-). [HMDB] 5,6-Dimethyl-1-a-D-ribofuranosylbenzimidazole 5'-ate 5,6-Dimethyl-1-a-D-ribofuranosylbenzimidazole 5'-ic acid 5,6-Dimethyl-1-alpha-D-ribofuranosylbenzimidazole 5'-ate 5,6-Dimethyl-1-alpha-D-ribofuranosylbenzimidazole 5'-ic acid 5,6-Dimethyl-1-α-D-ribofuranosylbenzimidazole 5'-ate 5,6-Dimethyl-1-α-D-ribofuranosylbenzimidazole 5'-ic acid a-Ribazole 5'-ate a-Ribazole 5'-ic acid a-RIBAZOLE-5'-ate a-RIBAZOLE-5'-ic acid a-Ribazole-5'-P alpha-Ribazole 5'-ate alpha-Ribazole 5'-ic acid alpha-Ribazole 5'-phosphate ALPHA-RIBAZOLE-5'-ATE alpha-RIBAZOLE-5'-ic acid alpha-ribazole-5'-P alpha-ribazole-5'-PO4 N(1)-(5-Oribosyl)-5,6-dimethylbenzimidazole N1-(5-O-a-D-Ribosyl)-5,6-dimethylbenzimidazole N1-(5-O-alpha-D-Ribosyl)-5,6-dimethylbenzimidazole N1-(5-O-alpha-delta-Ribosyl)-5,6-dimethylbenzimidazole N1-(5-O-α-D-ribosyl)-5,6-dimethylbenzimidazole N1-(5-Phospho-a-D-ribosyl)-5,6-dimethylbenzimidazole N1-(5-Phospho-alpha-D-ribosyl)-5,6-dimethylbenzimidazole N1-(5-Phospho-alpha-delta-ribosyl)-5,6-dimethylbenzimidazole ORate mono-[5-(5,6-dimethyl-benzoimidazol-1-yl)-3,4-dihydroxy-tetrahydro-furan-2ylmethyl] ester ORIC ACID MONO-[5-(5,6-dimethyl-benzoimidazol-1-yl)-3,4-dihydroxy-tetrahydro-furan-2ylmethyl] ester α-ribazole 5'-ate α-ribazole 5'-ic acid α-ribazole-5'-ate α-ribazole-5'-ic acid α-ribazole-5'-P C14H19N2O7P 358.2836 358.092987484 {[(2R,3S,4R,5S)-5-(5,6-dimethyl-1H-1,3-benzodiazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid α-ribazole-5'-P 975-91-7 CC1=CC2=C(C=C1C)N(C=N2)[C@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O InChI=1S/C14H19N2O7P/c1-7-3-9-10(4-8(7)2)16(6-15-9)14-13(18)12(17)11(23-14)5-22-24(19,20)21/h3-4,6,11-14,17-18H,5H2,1-2H3,(H2,19,20,21)/t11-,12-,13-,14+/m1/s1 ZMRGXEJKZPRBPJ-SYQHCUMBSA-N belongs to the class of organic compounds known as benzimidazole ribonucleosides and ribonucleotides. These are nucleosides with a structure that consists of an imidazole moiety of benzimidazole is N-linked to a ribose (or deoxyribose). Nucleotides have a phosphate group linked to the C5 carbon of the ribose (or deoxyribose) moiety. Benzimidazole ribonucleosides and ribonucleotides Organic compounds Nucleosides, nucleotides, and analogues Benzimidazole ribonucleosides and ribonucleotides Aromatic heteropolycyclic compounds 1,2-diols Azacyclic compounds Benzenoids Benzimidazoles Glycosylamines Heteroaromatic compounds Hydrocarbon derivatives Monoalkyl phosphates Monosaccharide phosphates N-substituted imidazoles Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Pentose phosphates Secondary alcohols Tetrahydrofurans 1,2-diol 1-ribofuranosylbenzimidazole Alcohol Alkyl phosphate Aromatic heteropolycyclic compound Azacycle Azole Benzenoid Benzimidazole Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Imidazole Monoalkyl phosphate Monosaccharide Monosaccharide phosphate N-glycosyl compound N-substituted imidazole Organic nitrogen compound Organic oxide Organic oxygen compound Organic phosphoric acid derivative Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Pentose monosaccharide Pentose phosphate Pentose-5-phosphate Phosphoric acid ester Secondary alcohol Tetrahydrofuran 1-ribosylbenzimidazole dimethylbenzimidazole ribose monophosphate Solid logp -0.32 ALOGPS logs -2.37 ALOGPS solubility 1.53e+00 g/l ALOGPS logp -1.5 ChemAxon pka_strongest_acidic 1.22 ChemAxon pka_strongest_basic 5.81 ChemAxon iupac {[(2R,3S,4R,5S)-5-(5,6-dimethyl-1H-1,3-benzodiazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid ChemAxon average_mass 358.2836 ChemAxon mono_mass 358.092987484 ChemAxon smiles CC1=CC2=C(C=C1C)N(C=N2)[C@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O ChemAxon formula C14H19N2O7P ChemAxon inchi InChI=1S/C14H19N2O7P/c1-7-3-9-10(4-8(7)2)16(6-15-9)14-13(18)12(17)11(23-14)5-22-24(19,20)21/h3-4,6,11-14,17-18H,5H2,1-2H3,(H2,19,20,21)/t11-,12-,13-,14+/m1/s1 ChemAxon inchikey ZMRGXEJKZPRBPJ-SYQHCUMBSA-N ChemAxon polar_surface_area 134.27 ChemAxon refractivity 82.52 ChemAxon polarizability 34.13 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 7 ChemAxon donor_count 4 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14437 Specdb::CMs 38668 Specdb::CMs 133626 Specdb::CMs 141360 Specdb::NmrOneD 149680 Specdb::NmrOneD 149681 Specdb::NmrOneD 149682 Specdb::NmrOneD 149683 Specdb::NmrOneD 149684 Specdb::NmrOneD 149685 Specdb::NmrOneD 149686 Specdb::NmrOneD 149687 Specdb::NmrOneD 149688 Specdb::NmrOneD 149689 Specdb::NmrOneD 149690 Specdb::NmrOneD 149691 Specdb::NmrOneD 149692 Specdb::NmrOneD 149693 Specdb::NmrOneD 149694 Specdb::NmrOneD 149695 Specdb::NmrOneD 149696 Specdb::NmrOneD 149697 Specdb::NmrOneD 149698 Specdb::NmrOneD 149699 Specdb::MsMs 29537 Specdb::MsMs 29538 Specdb::MsMs 29539 Specdb::MsMs 36095 Specdb::MsMs 36096 Specdb::MsMs 36097 Specdb::MsMs 2662855 Specdb::MsMs 2662856 Specdb::MsMs 2662857 Specdb::MsMs 3016104 Specdb::MsMs 3016105 Specdb::MsMs 3016106 HMDB03882 16837 RBZ 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 14 kDa phosphohistidine phosphatase Q9NRX4 PHPT1