1.0 2016-09-30 23:03:04 UTC 2020-05-21 16:27:08 UTC BMDB0003192 BMDB03192 5-Aminoimidazole-4-carboxamide 4-Amino-5-carbamoylimidazole 4-Amino-5-imidazolecarboxamide 5(4)-Amino-4(5)-imidazolecarboxamide 5-Amino-4-imidazolecarboxyamide 4-Aminoimidazole-5-carboxamide 4-Carbamoyl-5-aminoimidazole 4-Carboxamido-5-aminoimidazole 5-Amino-1H-imidazole-4-carboxamide 5-Amino-4-imidazolecarboxamide 5-Amino-imidazole-4-carboxamide 5-Aminoimidazol-4-carboxamide 5-Aminoimidazole-4-carboxamide ribotide AIC AICA AICAR Colahepat Aminoimidazole carboxamide Carboxamide, aminoimidazole C4H6N4O 126.1166 126.054160834 4-amino-1H-imidazole-5-carboxamide 4-aminoimidazole-5-carboxamide 360-97-4 NC(=O)C1=C(N)N=CN1 InChI=1S/C4H6N4O/c5-3-2(4(6)9)7-1-8-3/h1H,5H2,(H2,6,9)(H,7,8) DVNYTAVYBRSTGK-UHFFFAOYSA-N belongs to the class of organic compounds known as aminoimidazoles. These are organic compounds containing an amino group linked to an imidazole ring. Organic compounds Organoheterocyclic compounds Azoles Imidazoles Aminoimidazoles Azacyclic compounds Carboximidic acids Heteroaromatic compounds Hydrocarbon derivatives Organooxygen compounds Organopnictogen compounds Primary amines Amine Aminoimidazole Aromatic heteromonocyclic compound Azacycle Carboximidic acid Carboximidic acid derivative Heteroaromatic compound Hydrocarbon derivative Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary amine Aromatic heteromonocyclic compounds aminoimidazole monocarboxylic acid amide Solid logp -1.1 HANSCH,C ET AL. (1995) logp -1.16 ALOGPS logs -0.01 ALOGPS logp -0.96 ChemAxon pka_strongest_acidic 12.74 ChemAxon pka_strongest_basic 5.26 ChemAxon iupac 4-amino-1H-imidazole-5-carboxamide ChemAxon average_mass 126.1166 ChemAxon mono_mass 126.054160834 ChemAxon smiles NC(=O)C1=C(N)N=CN1 ChemAxon formula C4H6N4O ChemAxon inchi InChI=1S/C4H6N4O/c5-3-2(4(6)9)7-1-8-3/h1H,5H2,(H2,6,9)(H,7,8) ChemAxon inchikey DVNYTAVYBRSTGK-UHFFFAOYSA-N ChemAxon polar_surface_area 97.79 ChemAxon refractivity 32.98 ChemAxon polarizability 11.37 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Purine Metabolism SMP0087239 Specdb::MsIr 1895 Specdb::MsIr 1896 Specdb::MsIr 1897 Specdb::CMs 1440 Specdb::CMs 1451 Specdb::CMs 25213 Specdb::CMs 31444 Specdb::CMs 31445 Specdb::CMs 31725 Specdb::CMs 31726 Specdb::CMs 31790 Specdb::CMs 160991 Specdb::NmrOneD 135320 Specdb::NmrOneD 135321 Specdb::NmrOneD 135322 Specdb::NmrOneD 135323 Specdb::NmrOneD 135324 Specdb::NmrOneD 135325 Specdb::NmrOneD 135326 Specdb::NmrOneD 135327 Specdb::NmrOneD 135328 Specdb::NmrOneD 135329 Specdb::NmrOneD 135330 Specdb::NmrOneD 135331 Specdb::NmrOneD 135332 Specdb::NmrOneD 135333 Specdb::NmrOneD 135334 Specdb::NmrOneD 135335 Specdb::NmrOneD 135336 Specdb::NmrOneD 135337 Specdb::NmrOneD 135338 Specdb::NmrOneD 135339 Specdb::MsMs 23192 Specdb::MsMs 23193 Specdb::MsMs 23194 Specdb::MsMs 29990 Specdb::MsMs 29991 Specdb::MsMs 29992 Specdb::MsMs 437244 Specdb::MsMs 437245 Specdb::MsMs 437246 Specdb::MsMs 437247 Specdb::MsMs 437248 Specdb::MsMs 445716 Specdb::MsMs 445717 Specdb::MsMs 445718 Specdb::MsMs 445719 Specdb::MsMs 445720 Specdb::MsMs 2239673 Specdb::MsMs 3055352 Specdb::MsMs 3055353 Specdb::MsMs 3055354 Specdb::MsMs 3111614 Specdb::MsMs 3111615 Specdb::MsMs 3111616 Fibroblasts Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 Platelet Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 Skeletal Muscle Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 C04051 FDB023121 9298 9679 2030 629 CPD-3762 BMDBP00108 Adenine phosphoribosyltransferase Q56JW4 APRT Enzyme