1.0 2016-09-30 23:21:07 UTC 2020-05-21 16:28:53 UTC BMDB0006273 BMDB06273 5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate 1-(5'-Phosphoribosyl)-4-carboxy-5-aminoimidazole 1-(5'-Phosphoribosyl)-5-amino-4-carboxyimidazole 1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxylate 1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate 5'-Phosphoribosyl-4-carboxy-5-aminoimidazole 5'-Phosphoribosyl-5-amino-4-imidazolecarboxylate 5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate 1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxylic acid 1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylic acid 5'-Phosphoribosyl-5-amino-4-imidazolecarboxylic acid 5-amino-1-(5-phospho-D-Ribosyl)imidazole-4-carboxylic acid 4-Carboxy-5-aminoimidazole ribonucleotide 5'Phosphoribosyl-4-carboxy-5-aminoimidazole 5-Amino-4-carboxyimidazole ribonucleotide 5-amino-4-Imidazolecarboxylic acid ribonucleotide 5-Aminoimidazole carboxilic acid ribonucleotice 5-Aminoimidazole-4-carboxilic acid ribonucleotide Carboxyaminoimidazole ribonucleotide Carboxy-AIR AICOR Carboxyaminoimidazole ribotide CAIR 5-Amino-1-(5-O-phosphonopentofuranosyl)-1H-imidazole-4-carboxylic acid 1-(5’-Phosphoribosyl)-4-carboxy-5-aminoimidazole 1-(5’-Phosphoribosyl)-5-amino-4-carboxyimidazole 1-(5’-Phosphoribosyl)-5-amino-4-imidazolecarboxylate 5-Amino-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazole-4-carboxylic acid 5-Amino-1-(5-O-phosphono-β-D-ribofuranosyl)-1H-imidazole-4-carboxylic acid 5-Aminoimidazole 4-carboxylic acid ribonucleotide 5-Aminoimidazolecarboxylic acid ribonucleotide 5’-Phosphoribosyl-4-carboxy-5-aminoimidazole 5’-Phosphoribosyl-5-amino-4-imidazolecarboxylate C9H14N3O9P 339.1959 339.046765573 5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-1H-imidazole-4-carboxylic acid 5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]imidazole-4-carboxylic acid 6001-14-5 NC1=C(N=CN1[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O)C(O)=O InChI=1S/C9H14N3O9P/c10-7-4(9(15)16)11-2-12(7)8-6(14)5(13)3(21-8)1-20-22(17,18)19/h2-3,5-6,8,13-14H,1,10H2,(H,15,16)(H2,17,18,19)/t3-,5-,6-,8-/m1/s1 XFVULMDJZXYMSG-ZIYNGMLESA-N 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. Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Pentose phosphates 1,2-diols Amino acids Aminoimidazoles Azacyclic compounds Carbonylimidazoles Carboxylic acids Glycosylamines Heteroaromatic compounds Hydrocarbon derivatives Imidazole ribonucleosides and ribonucleotides Monoalkyl phosphates Monocarboxylic acids and derivatives Monosaccharide phosphates N-substituted imidazoles Organic oxides Organopnictogen compounds Oxacyclic compounds Primary amines Secondary alcohols Tetrahydrofurans Vinylogous amides 1,2-diol Alcohol Alkyl phosphate Amine Amino acid Amino acid or derivatives Aminoimidazole Aromatic heteromonocyclic compound Azacycle Azole Carboxylic acid Carboxylic acid derivative Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Imidazole Imidazole ribonucleoside Imidazole-4-carbonyl group Monoalkyl phosphate Monocarboxylic acid or derivatives Monosaccharide phosphate N-glycosyl compound N-substituted imidazole Organic nitrogen compound Organic oxide Organic phosphoric acid derivative Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Oxacycle Pentose phosphate Pentose-5-phosphate Phosphoric acid ester Primary amine Secondary alcohol Tetrahydrofuran Vinylogous amide Aromatic heteromonocyclic compounds 1-(phosphoribosyl)imidazole aminoimidazole imidazole-4-carboxylic acid Solid logp -2.05 ALOGPS logs -2.08 ALOGPS logp -3.7 ChemAxon pka_strongest_acidic 1.18 ChemAxon pka_strongest_basic 7.11 ChemAxon iupac 5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-1H-imidazole-4-carboxylic acid ChemAxon average_mass 339.1959 ChemAxon mono_mass 339.046765573 ChemAxon smiles NC1=C(N=CN1[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O)C(O)=O ChemAxon formula C9H14N3O9P ChemAxon inchi InChI=1S/C9H14N3O9P/c10-7-4(9(15)16)11-2-12(7)8-6(14)5(13)3(21-8)1-20-22(17,18)19/h2-3,5-6,8,13-14H,1,10H2,(H,15,16)(H2,17,18,19)/t3-,5-,6-,8-/m1/s1 ChemAxon inchikey XFVULMDJZXYMSG-ZIYNGMLESA-N ChemAxon polar_surface_area 197.59 ChemAxon refractivity 67.32 ChemAxon polarizability 28.49 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 10 ChemAxon donor_count 6 ChemAxon physiological_charge -2 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 Purine Metabolism SMP0087239 Specdb::MsMs 27725 Specdb::MsMs 27726 Specdb::MsMs 27727 Specdb::MsMs 34283 Specdb::MsMs 34284 Specdb::MsMs 34285 Specdb::MsMs 2690975 Specdb::MsMs 2690976 Specdb::MsMs 2690977 Specdb::MsMs 2990573 Specdb::MsMs 2990574 Specdb::MsMs 2990575 Specdb::NmrOneD 68072 Specdb::NmrOneD 68073 Specdb::NmrOneD 68074 Specdb::NmrOneD 68075 Specdb::NmrOneD 68076 Specdb::NmrOneD 68077 Specdb::NmrOneD 68078 Specdb::NmrOneD 68079 Specdb::NmrOneD 68080 Specdb::NmrOneD 68081 Specdb::NmrOneD 68082 Specdb::NmrOneD 68083 Specdb::NmrOneD 68084 Specdb::NmrOneD 68085 Specdb::NmrOneD 68086 Specdb::NmrOneD 68087 Specdb::NmrOneD 68088 Specdb::NmrOneD 68089 Specdb::NmrOneD 68090 Specdb::NmrOneD 68091 Specdb::CMs 2880 Specdb::CMs 38988 Specdb::CMs 163793 FDB023871 165388 144983 28413 C04751 C2R PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE 44477 BMDBP02938 Phosphoribosylaminoimidazole carboxylase, phosphoribosylaminoimidazole succinocarboxamide synthetase Q2HJ26 PAICS Enzyme