{"ymdb_id":"YMDB00492","created_at":"2011-05-29T18:23:17.000Z","updated_at":"2016-09-08T18:35:32.000Z","name":"5-Amino-1-(5-phospho-D-ribosyl)imidazole","cas":"25635-88-5","state":"Solid","melting_point":null,"description":"5-Amino-1-(5-phospho-D-ribosyl)imidazole is an intermediate in inosine-5'-phosphate (IMP) biosynthesis and thiamine biosynthesis pathways. [Biocyc PWY-6124 and THISYNARA-PWY]","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":"Cytoplasm","synthesis_reference":null,"chebi_id":"28843","hmdb_id":"HMDB01235","kegg_id":"C03373","pubchem_id":"161500","cs_id":"13177017","foodb_id":null,"wikipedia_link":"5-amino-1-(5-phospho-D-ribosyl)imidazole","biocyc_id":"5-PHOSPHORIBOSYL-5-AMINOIMIDAZOL","iupac":"{[(2R,3S,4R)-5-(5-amino-1H-imidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid","traditional_iupac":"aminoimidazole ribotide","logp":"-4.327418831783963","pka":"6.241083773689428","alogps_solubility":"3.38e+00 g/l","alogps_logp":"-2.27","alogps_logs":"-1.94","acceptor_count":"8","donor_count":"5","rotatable_bond_count":"4","polar_surface_area":"160.29000000000005","refractivity":"60.435700000000004","polarizability":"25.10134334229274","formal_charge":"0","physiological_charge":"-1","pka_strongest_basic":"7.918025333249561","pka_strongest_acidic":"1.2247156062018343","bioavailability":"1","number_of_rings":"2","rule_of_five":"1","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["1-(5-phospho-d-ribosyl)-5-aminoimidazole","1-(5-phosphoribosyl)-5-aminoimidazole","1-(5'-phosphoribosyl)-5-aminoimidazole","5-Amino-1-(5-phospho-D-ribosyl)imidazole","5-aminoimidazole ribonucleotide","5-aminoimidazole ribotide","5-phosphoribosyl-5-aminoimidazole","5'-phosphoribosyl-5-aminoimidazole","AIR","air, aminoimidazole ribotide","Aminoimidazole ribotide"],"pathways":[{"name":"Purine metabolism","kegg_map_id":"00230"},{"name":"Thiamine metabolism","kegg_map_id":"00730"},{"name":"purine nucleotides de novo biosynthesis","kegg_map_id":null}],"growth_conditions":[],"references":[{"pubmed_id":21062828,"citation":"Scheer, M., Grote, A., Chang, A., Schomburg, I., Munaretto, C., Rother, M., Sohngen, C., Stelzer, M., Thiele, J., Schomburg, D. (2011). \"BRENDA, the enzyme information system in 2011.\" Nucleic Acids Res 39:D670-D676."},{"pubmed_id":18846089,"citation":"Herrgard, M. J., Swainston, N., Dobson, P., Dunn, W. B., Arga, K. Y., Arvas, M., Bluthgen, N., Borger, S., Costenoble, R., Heinemann, M., Hucka, M., Le Novere, N., Li, P., Liebermeister, W., Mo, M. L., Oliveira, A. P., Petranovic, D., Pettifer, S., Simeonidis, E., Smallbone, K., Spasic, I., Weichart, D., Brent, R., Broomhead, D. S., Westerhoff, H. V., Kirdar, B., Penttila, M., Klipp, E., Palsson, B. O., Sauer, U., Oliver, S. G., Mendes, P., Nielsen, J., Kell, D. B. (2008). \"A consensus yeast metabolic network reconstruction obtained from a community approach to systems biology.\" Nat Biotechnol 26:1155-1160."}],"proteins":[{"created_at":"2011-05-24T20:12:36.000Z","updated_at":"2011-05-24T20:12:36.000Z","name":"Bifunctional purine biosynthetic protein ADE5,7","uniprot_id":"P07244","uniprot_name":"PUR2_YEAST","enzyme":true,"transporter":false,"gene_name":"ADE5","num_residues":802,"molecular_weight":"86067.39844","theoretical_pi":"4.89","general_function":"Involved in catalytic activity","specific_function":"ATP + 5-phospho-D-ribosylamine + glycine = ADP + phosphate + N(1)-(5-phospho-D-ribosyl)glycinamide","reactions":[{"id":1885,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1891,"direction":"\u003c\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2304,"direction":"\u003e","locations":null,"altext":"ATP + 5-phospho-D-ribosylamine + glycine = ADP + phosphate + N(1)-(5-phospho-D-ribosyl)glycinamide.","export":false,"pw_reaction_id":null,"source":null},{"id":2305,"direction":"\u003e","locations":null,"altext":"ATP + 2-(formamido)-N(1)-(5-phospho-D-ribosyl)acetamidine = ADP + phosphate + 5-amino-1-(5-phospho-D-ribosyl)imidazole.","export":false,"pw_reaction_id":null,"source":null}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":null,"genbank_gene_id":"X04337","genbank_protein_id":"3335","gene_card_id":"ADE5","chromosome_location":null,"locus":"YGL234W","synonyms":["Phosphoribosylamine--glycine ligase","Glycinamide ribonucleotide synthetase","GARS","Phosphoribosylglycinamide synthetase","Phosphoribosylformylglycinamidine cyclo-ligase","AIR synthase","AIRS","Phosphoribosyl-aminoimidazole synthetase"],"enzyme_classes":["6.3.4.13","6.3.3.1"],"go_classes":[{"category":"Component","description":" cell part"},{"category":"Component","description":" intracellular part"},{"category":"Component","description":" cytoplasm"},{"category":"Function","description":" phosphoribosylamine-glycine ligase activity"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" binding"},{"category":"Function","description":" ligase activity"},{"category":"Function","description":" ligase activity, forming carbon-nitrogen bonds"},{"category":"Function","description":" nucleoside binding"},{"category":"Function","description":" purine nucleoside binding"},{"category":"Function","description":" adenyl nucleotide binding"},{"category":"Function","description":" adenyl ribonucleotide binding"},{"category":"Function","description":" ATP binding"},{"category":"Function","description":" cyclo-ligase activity"},{"category":"Function","description":" phosphoribosylformylglycinamidine cyclo-ligase activity"},{"category":"Process","description":" 'de novo' IMP biosynthetic process"},{"category":"Process","description":" metabolic process"},{"category":"Process","description":" cellular metabolic process"},{"category":"Process","description":" nitrogen compound metabolic process"},{"category":"Process","description":" cellular nitrogen compound metabolic process"},{"category":"Process","description":" nucleobase, nucleoside, nucleotide and nucleic acid metabolic process"},{"category":"Process","description":" nucleobase, nucleoside and nucleotide metabolic process"},{"category":"Process","description":" nucleoside phosphate metabolic process"},{"category":"Process","description":" cellular aromatic compound metabolic process"},{"category":"Process","description":" nucleotide metabolic process"},{"category":"Process","description":" nucleobase metabolic process"},{"category":"Process","description":" purine nucleotide metabolic process"},{"category":"Process","description":" purine base metabolic process"},{"category":"Process","description":" purine nucleotide biosynthetic process"},{"category":"Process","description":" purine base biosynthetic process"},{"category":"Process","description":" purine nucleoside monophosphate biosynthetic process"},{"category":"Process","description":" purine ribonucleoside monophosphate biosynthetic process"},{"category":"Process","description":" IMP biosynthetic process"}],"pfams":[{"name":"AIRS","identifier":"PF00586"},{"name":"AIRS_C","identifier":"PF02769"},{"name":"GARS_A","identifier":"PF01071"},{"name":"GARS_C","identifier":"PF02843"},{"name":"GARS_N","identifier":"PF02844"}],"pathways":[{"name":"Purine metabolism","kegg_map_id":"00230"}],"gene_sequence":"ATGCTCAACATTCTCGTTTTAGGAAACGGTGCAAGAGAACACGTTCTTGTCACCAAGCTGGCTCAGTCACCCACCGTGGGTAAGATCTATGTCGCTCCAGGTAATGGAGGGACCGCAACCATGGATCCTTCGCGTGTGATAAACTGGGATATTACGCCAGATGTCGCCAATTTTGCTCGTTTGCAGTCGATGGCTGTGGAACATAAGATCAACTTGGTCGTTCCTGGTCCAGAATTACCTCTAGTCAACGGCATCACCTCCGTGTTCCATAGCGTTGGTATTCCCGTTTTTGGACCTTCCGTCAAAGCCGCTCAGTTGGAAGCTTCCAAGGCTTTCTCCAAGAGATTTATGTCAAAACACAATATTCCAACCGCGTCTTATGATGTCTTCACTAATCCAGAAGAAGCCATTTCATTCTTGCAAGCTCATACTGACAAAGCTTTTGTCATCAAGGCCGACGGGATCGCTGCTGGGAAAGGTGTTATTATCCCATCTAGCATCGACGAGTCCGTCCAAGCTATCAAGGACATAATGGTCACCAAGCAATTCGGTGAAGAAGCGGGCAAGCAGGTTGTGATAGAACAATTCTTGGAAGGTGATGAAATCTCTCTACTCACCATTGTTGACGGGTACTCTCACTTCAATCTCCCCGTCGCACAAGATCACAAGAGGATCTTTGATGGCGACAAGGGCTTGAACACCGGTGGGATGGGTGCCTATGCCCCCGCTCCTGTGGCCACACCATCTTTGTTGAAGACCATAGATTCACAGATTGTGAAGCCTACGATTGATGGGATGAGACGTGATGGTATGCCCTTTGTTGGTGTGCTGTTCACCGGGATGATTTTGGTGAAGGATTCTAAGACAAATCAACTTGTTCCCGAAGTGTTAGAATATAATGTCAGATTCGGTGACCCAGAGACACAGGCTGTTTTGAGTTTACTTGATGATCAAACCGATTTGGCGCAAGTGTTTTTGGCTGCTGCTGAACATCGTTTGGATTCCGTAAACATAGGAATCGATGACACAAGATCTGCCGTTACTGTCGTAGTGGCTGCAGGTGGTTATCCTGAATCATACGCCAAAGGTGACAAAATTACCTTGGATACCGATAAATTACCTCCACATACACAAATCTTCCAAGCAGGTACCAAATACGATTCCGCCACCGATTCTTTATTGACCAATGGTGGTAGAGTTCTTTCTGTGACCTCCACTGCTCAGGACTTGAGAACAGCAGTAGATACAGTATATGAAGCCGTCAAATGCGTCCATTTCCAAAATTCTTACTACAGAAAGGACATCGCATACCGTGCGTTCCAAAACTCAGAATCATCAAAAGTTGCCATCACATACGCAGACTCAGGTGTCTCTGTTGATAATGGTAACAATCTCGTACAAACTATCAAAGAAATGGTCAGATCCACAAGAAGGCCAGGTGCAGACTCTGATATTGGTGGTTTTGGTGGTTTATTCGATTTGGCTCAAGCAGGTTTCCGTCAAAACGAAGATACCTTACTAGTAGGTGCTACAGATGGTGTCGGTACTAAATTAATCATTGCCCAAGAGACCGGGATTCATAATACTGTCGGTATTGACCTGGTGGCCATGAATGTTAACGATTTGGTGGTACAAGGTGCTGAGCCTCTATTCTTTTTGGACTACTTTGCCACTGGTGCTCTTGACATTCAAGTTGCCTCTGATTTTGTGTCCGGTGTTGCTAATGGTTGTATTCAAAGTGGTTGTGCTCTTGTGGGTGGTGAAACTTCGGAAATGCCCGGTATGTATCCACCCGGCCACTACGATACTAATGGTACCGCTGTTGGTGCTGTATTAAGACAAGATATCTTGCCCAAGATAAATGAAATGGCCGCAGGAGATGTTCTTCTGGGTCTCGCCTCTAGCGGTGTTCATTCTAATGGTTTCTCTTTGGTTAGAAAAATTATTCAACATGTAGCATTACCATGGGACGCTCCATGTCCATGGGATGAATCTAAGACGTTAGGTGAAGGTATTCTTGAACCAACAAAAATTTACGTCAAGCAATTATTGCCATCAATTAGACAAAGACTACTACTAGGTTTAGCTCATATAACAGGTGGTGGTTTAGTAGAGAATATCCCAAGAGCTATTCCAGACCACCTACAGGCCCGCGTTGATATGTCAACCTGGGAAGTACCCCGTGTCTTCAAATGGTTTGGTCAAGCAGGTAATGTTCCACACGATGACATTTTAAGAACCTTCAACATGGGTGTTGGTATGGTTTTGATTGTCAAGAGAGAAAACGTCAAGGCTGTTTGTGATTCATTGACTGAAGAAGGTGAAATTATTTGGGAGCTTGGTTCTTTGCAAGAAAGACCAAAGGATGCTCCCGGTTGTGTGATTGAAAACGGAACTAAGCTTTACTAA","protein_sequence":"MLNILVLGNGAREHVLVTKLAQSPTVGKIYVAPGNGGTATMDPSRVINWDITPDVANFARLQSMAVEHKINLVVPGPELPLVNGITSVFHSVGIPVFGPSVKAAQLEASKAFSKRFMSKHNIPTASYDVFTNPEEAISFLQAHTDKAFVIKADGIAAGKGVIIPSSIDESVQAIKDIMVTKQFGEEAGKQVVIEQFLEGDEISLLTIVDGYSHFNLPVAQDHKRIFDGDKGLNTGGMGAYAPAPVATPSLLKTIDSQIVKPTIDGMRRDGMPFVGVLFTGMILVKDSKTNQLVPEVLEYNVRFGDPETQAVLSLLDDQTDLAQVFLAAAEHRLDSVNIGIDDTRSAVTVVVAAGGYPESYAKGDKITLDTDKLPPHTQIFQAGTKYDSATDSLLTNGGRVLSVTSTAQDLRTAVDTVYEAVKCVHFQNSYYRKDIAYRAFQNSESSKVAITYADSGVSVDNGNNLVQTIKEMVRSTRRPGADSDIGGFGGLFDLAQAGFRQNEDTLLVGATDGVGTKLIIAQETGIHNTVGIDLVAMNVNDLVVQGAEPLFFLDYFATGALDIQVASDFVSGVANGCIQSGCALVGGETSEMPGMYPPGHYDTNGTAVGAVLRQDILPKINEMAAGDVLLGLASSGVHSNGFSLVRKIIQHVALPWDAPCPWDESKTLGEGILEPTKIYVKQLLPSIRQRLLLGLAHITGGGLVENIPRAIPDHLQARVDMSTWEVPRVFKWFGQAGNVPHDDILRTFNMGVGMVLIVKRENVKAVCDSLTEEGEIIWELGSLQERPKDAPGCVIENGTKLY"},{"created_at":"2011-05-26T16:59:39.000Z","updated_at":"2011-05-27T15:01:01.000Z","name":"Phosphoribosylaminoimidazole carboxylase","uniprot_id":"P21264","uniprot_name":"PUR6_YEAST","enzyme":true,"transporter":false,"gene_name":"ADE2","num_residues":571,"molecular_weight":"62338.69922","theoretical_pi":"7.36","general_function":"Involved in phosphoribosylaminoimidazole carboxylase activity","specific_function":"5-amino-1-(5-phospho-D-ribosyl)imidazole-4- carboxylate = 5-amino-1-(5-phospho-D-ribosyl)imidazole + CO(2)","reactions":[{"id":1884,"direction":"\u003c\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2456,"direction":"\u003e","locations":null,"altext":"5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate = 5-amino-1-(5-phospho-D-ribosyl)imidazole + CO(2).","export":false,"pw_reaction_id":null,"source":null},{"id":14240,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006683","source":"Smpdb"},{"id":14241,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006686","source":"Smpdb"},{"id":14242,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006799","source":"Smpdb"}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":null,"genbank_gene_id":"M59824","genbank_protein_id":"171003","gene_card_id":"ADE2","chromosome_location":"chromosome 15","locus":"YOR128C","synonyms":["AIR carboxylase","AIRC"],"enzyme_classes":["4.1.1.21"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" carbon-carbon lyase activity"},{"category":"Function","description":" carboxy-lyase activity"},{"category":"Function","description":" binding"},{"category":"Function","description":" nucleoside binding"},{"category":"Function","description":" purine nucleoside binding"},{"category":"Function","description":" adenyl nucleotide binding"},{"category":"Function","description":" adenyl ribonucleotide binding"},{"category":"Function","description":" ATP binding"},{"category":"Function","description":" phosphoribosylaminoimidazole carboxylase activity"},{"category":"Function","description":" lyase activity"},{"category":"Process","description":" metabolic process"},{"category":"Process","description":" nitrogen compound metabolic process"},{"category":"Process","description":" cellular nitrogen compound metabolic process"},{"category":"Process","description":" nucleobase, nucleoside, nucleotide and nucleic acid metabolic process"},{"category":"Process","description":" nucleobase, nucleoside and nucleotide metabolic process"},{"category":"Process","description":" nucleoside phosphate metabolic process"},{"category":"Process","description":" nucleotide metabolic process"},{"category":"Process","description":" purine nucleotide metabolic process"},{"category":"Process","description":" purine nucleotide biosynthetic process"},{"category":"Process","description":" purine nucleoside monophosphate biosynthetic process"},{"category":"Process","description":" purine ribonucleoside monophosphate biosynthetic process"},{"category":"Process","description":" IMP biosynthetic process"},{"category":"Process","description":" 'de novo' IMP biosynthetic process"}],"pfams":[{"name":"AIRC","identifier":"PF00731"},{"name":"ATP-grasp","identifier":"PF02222"}],"pathways":[{"name":"Purine metabolism","kegg_map_id":"00230"},{"name":"One Carbon Pool by Folate I","kegg_map_id":null}],"gene_sequence":"ATGGATTCTAGAACAGTTGGTATATTAGGAGGGGGACAATTGGGACGTATGATTGTTGAGGCAGCAAACAGGCTCAACATTAAGACGGTAATACTAGATGCTGAAAATTCTCCTGCCAAACAAATAAGCAACTCCAATGACCACGTTAATGGCTCCTTTTCCAATCCTCTTGATATCGAAAAACTAGCTGAAAAATGTGATGTGCTAACGATTGAGATTGAGCATGTTGATGTTCCTACACTAAAGAATCTTCAAGTAAAACATCCCAAATTAAAAATTTACCCTTCTCCAGAAACAATCAGATTGATACAAGACAAATATATTCAAAAAGAGCATTTAATCAAAAATGGTATAGCAGTTACCCAAAGTGTTCCTGTGGAACAAGCCAGTGAGACGTCCCTATTGAATGTTGGAAGAGATTTGGGTTTTCCATTCGTCTTGAAGTCGAGGACTTTGGCATACGATGGAAGAGGTAACTTCGTTGTAAAGAATAAGGAAATGATTCCGGAAGCTTTGGAAGTACTGAAGGATCGTCCTTTGTACGCCGAAAAATGGGCACCATTTACTAAAGAATTAGCAGTCATGATTGTGAGATCTGTTAACGGTTTAGTGTTTTCTTACCCAATTGTAGAGACTATCCACAAGGACAATATTTGTGACTTATGTTATGCGCCTGCTAGAGTTCCGGACTCCGTTCAACTTAAGGCGAAGTTGTTGGCAGAAAATGCAATCAAATCTTTTCCCGGTTGTGGTATATTTGGTGTGGAAATGTTCTATTTAGAAACAGGGGAATTGCTTATTAACGAAATTGCCCCAAGGCCTCACAACTCTGGACATTATACCATTGATGCTTGCGTCACTTCTCAATTTGAAGCTCATTTGAGATCAATATTGGATTTGCCAATGCCAAAGAATTTCACATCTTTCTCCACCATTACAACGAACGCCATTATGCTAAATGTTCTTGGAGACAAACATACAAAAGATAAAGAGCTAGAAACTTGCGAAAGAGCATTGGCGACTCCAGGTTCCTCAGTGTACTTATATGGAAAAGAGTCTAGACCTAACAGAAAAGTAGGTCACATAAATATTATTGCCTCCAGTATGGCGGAATGTGAACAAAGGCTGAACTACATTACAGGTAGAACTGATATTCCAATCAAAATCTCTGTCGCTCAAAAGTTGGACTTGGAAGCAATGGTCAAACCATTGGTTGGAATCATCATGGGATCAGACTCTGACTTGCCGGTAATGTCTGCCGCATGTGCGGTTTTAAAAGATTTTGGCGTTCCATTTGAAGTGACAATAGTCTCTGCTCATAGAACTCCACATAGGATGTCAGCATATGCTATTTCCGCAAGCAAGCGTGGAATTAAAACAATTATCGCTGGAGCTGGTGGGGCTGCTCACTTGCCAGGTATGGTGGCTGCAATGACACCACTTCCTGTCATCGGTGTGCCCGTAAAAGGTTCTTGTCTAGATGGAGTAGATTCTTTACATTCAATTGTGCAAATGCCTAGAGGTGTTCCAGTAGCTACCGTCGCTATTAATAATAGTACGAACGCTGCGCTGTTGGCTGTCAGACTGCTTGGCGCTTATGATTCAAGTTATACAACGAAAATGGAACAGTTTTTATTAAAGCAAGAAGAAGAAGTTCTTGTCAAAGCACAAAAGTTAGAAACTGTCGGTTACGAAGCTTATCTAGAAAACAAGTAA","protein_sequence":"MDSRTVGILGGGQLGRMIVEAANRLNIKTVILDAENSPAKQISNSNDHVNGSFSNPLDIEKLAEKCDVLTIEIEHVDVPTLKNLQVKHPKLKIYPSPETIRLIQDKYIQKEHLIKNGIAVTQSVPVEQASETSLLNVGRDLGFPFVLKSRTLAYDGRGNFVVKNKEMIPEALEVLKDRPLYAEKWAPFTKELAVMIVRSVNGLVFSYPIVETIHKDNICDLCYAPARVPDSVQLKAKLLAENAIKSFPGCGIFGVEMFYLETGELLINEIAPRPHNSGHYTIDACVTSQFEAHLRSILDLPMPKNFTSFSTITTNAIMLNVLGDKHTKDKELETCERALATPGSSVYLYGKESRPNRKVGHINIIASSMAECEQRLNYITGRTDIPIKISVAQKLDLEAMVKPLVGIIMGSDSDLPVMSAACAVLKDFGVPFEVTIVSAHRTPHRMSAYAISASKRGIKTIIAGAGGAAHLPGMVAAMTPLPVIGVPVKGSCLDGVDSLHSIVQMPRGVPVATVAINNSTNAALLAVRLLGAYDSSYTTKMEQFLLKQEEEVLVKAQKLETVGYEAYLENK"}]}