1.0 2016-09-30 22:54:08 UTC 2020-04-22 15:10:39 UTC BMDB0002331 BMDB02331 Imidazoleacetic acid riboside Imidazoleacetate riboside IAA-R Ribosylimidazole-4-acetic acid Ribosylimidazole acetic acid 1-b-D-Ribofuranosyl-imidazole-4-acetic acid 1-beta-delta-Ribofuranosyl-imidazole-4-acetic acid 1-Ribosylimidazole-4-acetic acid Ribosylimidazoleacetate (1-Ribosylimidazole)-4-acetic acid Imidazoleacetic acid riboside C10H14N2O6 258.228 258.08518619 2-{1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazol-4-yl}acetic acid ribosylimidazole acetic acid 29605-99-0 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC(CC(O)=O)=C1 InChI=1S/C10H14N2O6/c13-3-6-8(16)9(17)10(18-6)12-2-5(11-4-12)1-7(14)15/h2,4,6,8-10,13,16-17H,1,3H2,(H,14,15)/t6-,8-,9-,10-/m1/s1 AHPWEWASPTZMEK-PEBGCTIMSA-N belongs to the class of organic compounds known as imidazole ribonucleosides and ribonucleotides. These are organic compounds in which the C-1 of a ribosyl moiety is N-linked to an imidazole ring. Nucleotides have a phosphate group linked to the C5 carbon of the ribose (or deoxyribose) moiety. This class does not contain benzimidazole nucleosides and nucleotides. Organic compounds Nucleosides, nucleotides, and analogues Imidazole ribonucleosides and ribonucleotides Imidazole ribonucleosides and ribonucleotides Azacyclic compounds Carbonyl compounds Carboxylic acids Glycosylamines Heteroaromatic compounds Hydrocarbon derivatives Imidazolyl carboxylic acids and derivatives Monocarboxylic acids and derivatives N-substituted imidazoles Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Pentoses Primary alcohols Secondary alcohols Tetrahydrofurans Alcohol Aromatic heteromonocyclic compound Azacycle Azole Carbonyl group Carboxylic acid Carboxylic acid derivative Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Imidazole Imidazole ribonucleoside Imidazolyl carboxylic acid derivative Monocarboxylic acid or derivatives Monosaccharide N-glycosyl compound N-substituted imidazole Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Pentose monosaccharide Primary alcohol Secondary alcohol Tetrahydrofuran Aromatic heteromonocyclic compounds Solid logp -1.45 ALOGPS logs -0.98 ALOGPS logp -3 ChemAxon pka_strongest_acidic 3.4 ChemAxon pka_strongest_basic 6.16 ChemAxon iupac 2-{1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazol-4-yl}acetic acid ChemAxon average_mass 258.228 ChemAxon mono_mass 258.08518619 ChemAxon smiles OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC(CC(O)=O)=C1 ChemAxon formula C10H14N2O6 ChemAxon inchi InChI=1S/C10H14N2O6/c13-3-6-8(16)9(17)10(18-6)12-2-5(11-4-12)1-7(14)15/h2,4,6,8-10,13,16-17H,1,3H2,(H,14,15)/t6-,8-,9-,10-/m1/s1 ChemAxon inchikey AHPWEWASPTZMEK-PEBGCTIMSA-N ChemAxon polar_surface_area 125.04 ChemAxon refractivity 56.54 ChemAxon polarizability 24.33 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 7 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 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 Specdb::MsMs 302485 Specdb::MsMs 302486 Specdb::MsMs 302487 Specdb::MsMs 345229 Specdb::MsMs 345230 Specdb::MsMs 345231 Specdb::MsMs 2307870 Specdb::MsMs 2307871 Specdb::MsMs 2307872 Specdb::MsMs 2655119 Specdb::MsMs 2655120 Specdb::MsMs 2655121 Specdb::CMs 16506 Specdb::CMs 38368 Specdb::CMs 131792 Specdb::CMs 139526 Specdb::NmrOneD 122238 Specdb::NmrOneD 122239 Specdb::NmrOneD 122240 Specdb::NmrOneD 122241 Specdb::NmrOneD 122242 Specdb::NmrOneD 122243 Specdb::NmrOneD 122244 Specdb::NmrOneD 122245 Specdb::NmrOneD 122246 Specdb::NmrOneD 122247 Specdb::NmrOneD 122248 Specdb::NmrOneD 122249 Specdb::NmrOneD 122250 Specdb::NmrOneD 122251 Specdb::NmrOneD 122252 Specdb::NmrOneD 122253 Specdb::NmrOneD 122254 Specdb::NmrOneD 122255 Specdb::NmrOneD 122256 Specdb::NmrOneD 122257 C05131 389469 FDB022964 440569 6626 Baddiley, J.; Buchanan, J. G.; Hayes, D. H.; Smith, P. A. Synthesis of 1-b-D-ribofuranosyl-4(5)-glyoxalinylacetic acid, a metabolite of histamine. Journal of the Chemical Society (1958), 3743-5.