{"ymdb_id":"YMDB00561","created_at":"2011-05-29T18:31:15.000Z","updated_at":"2016-09-08T18:35:37.000Z","name":"(2S)-2-[5-Amino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamido]succinic acid","cas":"3031-95-6","state":"Solid","melting_point":null,"description":"(2S)-2-[5-Amino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamido]succinic acid is an intermediate in inosine-5'-phosphate (IMP) biosynthesis pathway. [Biocyc PWY-6124]","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":"Cytoplasm","synthesis_reference":null,"chebi_id":"18319","hmdb_id":"HMDB00797","kegg_id":"C04823","pubchem_id":"160666","cs_id":"389419","foodb_id":null,"wikipedia_link":null,"biocyc_id":"P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE","iupac":"2-({5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-1H-imidazol-4-yl}formamido)butanedioic acid","traditional_iupac":"2-({5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]imidazol-4-yl}formamido)butanedioic acid","logp":"-4.825361675843606","pka":"2.997173380015799","alogps_solubility":"1.73e+00 g/l","alogps_logp":"-1.82","alogps_logs":"-2.42","acceptor_count":"13","donor_count":"8","rotatable_bond_count":"9","polar_surface_area":"263.99","refractivity":"90.65269999999997","polarizability":"37.612285236377346","formal_charge":"0","physiological_charge":"-4","pka_strongest_basic":"4.543300932982183","pka_strongest_acidic":"1.2173138245476895","bioavailability":"0","number_of_rings":"2","rule_of_five":"0","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["(2S)-2-[5-amino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamido]succinic acid","(S)-2-[5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamido]succinate","1-(5'-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole","1-(5'-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole","5-Amino-4-imidazole-N-succinocarboxamide ribonucleotide","5-phosphoribosyl-4-(n-succinocarboxamide)-5-aminoimidazole","5'-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole","5'-Phosphoribosyl-4-(N-succinocarbozamide)-5-aminoimidazole","Phosphoribosylaminoimidazolesuccinocarboxamide","SAICAR","SAICAriboside","Succino-AICAR","Succinylaminoimidazole carboxamide riboside"],"pathways":[{"name":"Purine metabolism","kegg_map_id":"00230"},{"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":"2011-05-24T19:59:21.000Z","updated_at":"2011-07-22T17:54:01.000Z","name":"Adenylosuccinate lyase","uniprot_id":"Q05911","uniprot_name":"PUR8_YEAST","enzyme":true,"transporter":false,"gene_name":"ADE13","num_residues":482,"molecular_weight":"54509.89844","theoretical_pi":"6.39","general_function":"Involved in catalytic activity","specific_function":"N(6)-(1,2-dicarboxyethyl)AMP = fumarate + AMP","reactions":[{"id":1279,"direction":"\u003c\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1281,"direction":"\u003c\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2286,"direction":"\u003e","locations":null,"altext":"N(6)-(1,2-dicarboxyethyl)AMP = fumarate + AMP.","export":false,"pw_reaction_id":null,"source":null},{"id":2287,"direction":"\u003e","locations":null,"altext":"(S)-2-(5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamido)succinate = fumarate + 5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide.","export":false,"pw_reaction_id":null,"source":null}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":null,"genbank_gene_id":"U19103","genbank_protein_id":"609416","gene_card_id":"ADE13","chromosome_location":"chromosome 12","locus":"YLR359W","synonyms":["ASL","Adenylosuccinase","ASase"],"enzyme_classes":["4.3.2.2"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" carbon-nitrogen lyase activity"},{"category":"Function","description":" amidine-lyase activity"},{"category":"Function","description":" N6-(1,2-dicarboxyethyl)AMP AMP-lyase (fumarate-forming) activity"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" lyase activity"},{"category":"Process","description":" purine ribonucleotide biosynthetic process"},{"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"}],"pfams":[{"name":"ADSL_C","identifier":"PF10397"},{"name":"Lyase_1","identifier":"PF00206"}],"pathways":[{"name":"Purine metabolism","kegg_map_id":"00230"},{"name":"Alanine, aspartate and glutamate metabolism","kegg_map_id":"00250"}],"gene_sequence":"ATGCCTGACTATGACAATTACACTACGCCATTGTCTTCTAGATATGCCTCCAAGGAAATGTCAGCAACGTTTTCTTTGAGAAACAGATTTTCCACATGGAGAAAACTATGGTTAAATTTGGCTATTGCTGAGAAGGAATTGGGCTTAACTGTTGTTACAGATGAAGCAATTGAGCAAATGCGCAAACACGTCGAAATCACTGATGATGAAATCGCAAAAGCTTCTGCTCAAGAAGCCATTGTAAGACATGATGTTATGGCACATGTTCATACATTTGGTGAAACTTGTCCGGCTGCTGCGGGTATCATTCACTTAGGTGCTACTTCCTGTTTCGTTACAGACAATGCTGATCTAATCTTTATTAGGGACGCCTACGATATTATTATTCCAAAACTTGTTAACGTCATCAACAGATTGGCTAAGTTTGCTATGGAATACAAGGATTTGCCTGTATTGGGTTGGACTCACTTTCAACCAGCACAATTAACGACCTTGGGTAAGAGAGCTACTTTATGGATACAAGAGCTATTGTGGGATTTGAGAAACTTTGAAAGAGCTAGAAACGATATCGGTCTACGTGGTGTTAAGGGTACTACTGGTACTCAGGCATCATTCTTGGCCTTATTCCATGGTAATCATGATAAAGTTGAAGCCCTTGACGAAAGAGTAACTGAATTATTAGGTTTCGATAAGGTATATCCAGTCACTGGTCAAACCTACTCAAGAAAAATTGACATTGACGTGTTGGCTCCTTTGTCTTCTTTTGCTGCTACTGCACACAAAATGGCTACTGACATAAGATTATTAGCCAACCTGAAGGAAGTTGAGGAACCTTTTGAGAAATCACAAATCGGATCCTCTGCTATGGCTTACAAGAGAAACCCAATGCGTTGTGAGAGAGTGTGCTCCTTGGCTAGACACTTAGGTTCCTTGTTTAGTGACGCCGTTCAAACTGCATCCGTTCAATGGTTCGAAAGAACTCTGGATGATTCTGCTATTAGAAGAATTTCTTTACCAAGTGCATTTTTAACCGCAGATATTCTATTATCTACTTTGTTGAACATCTCATCCGGTTTAGTTGTGTATCCAAAGGTTATCGAAAGGAGAATTAAGGGTGAACTACCTTTTATGGCTACTGAAAATATCATCATGGCTATGGTAGAAAAGAATGCCTCCAGACAAGAAGTACATGAGCGTATTAGAGTGCTCTCTCATCAAGCCGCAGCAGTAGTCAAGGAAGAAGGTGGGGAAAATGATTTAATTGAACGAGTAAAGAGGGATGAATTTTTCAAGCCTATCTGGGAAGAATTAGATTCTTTACTGGAACCATCCACTTTTGTTGGTAGAGCTCCACAACAAGTTGAGAAATTTGTTCAAAAAGACGTTAACAATGCTTTACAACCTTTCCAAAAGTACCTAAACGATGAACAAGTCAAGTTAAATGTTTAG","protein_sequence":"MPDYDNYTTPLSSRYASKEMSATFSLRNRFSTWRKLWLNLAIAEKELGLTVVTDEAIEQMRKHVEITDDEIAKASAQEAIVRHDVMAHVHTFGETCPAAAGIIHLGATSCFVTDNADLIFIRDAYDIIIPKLVNVINRLAKFAMEYKDLPVLGWTHFQPAQLTTLGKRATLWIQELLWDLRNFERARNDIGLRGVKGTTGTQASFLALFHGNHDKVEALDERVTELLGFDKVYPVTGQTYSRKIDIDVLAPLSSFAATAHKMATDIRLLANLKEVEEPFEKSQIGSSAMAYKRNPMRCERVCSLARHLGSLFSDAVQTASVQWFERTLDDSAIRRISLPSAFLTADILLSTLLNISSGLVVYPKVIERRIKGELPFMATENIIMAMVEKNASRQEVHERIRVLSHQAAAVVKEEGGENDLIERVKRDEFFKPIWEELDSLLEPSTFVGRAPQQVEKFVQKDVNNALQPFQKYLNDEQVKLNV"},{"created_at":"2011-05-26T17:21:27.000Z","updated_at":"2011-05-27T15:01:02.000Z","name":"Phosphoribosylaminoimidazole-succinocarboxamide synthase","uniprot_id":"P27616","uniprot_name":"PUR7_YEAST","enzyme":true,"transporter":false,"gene_name":"ADE1","num_residues":306,"molecular_weight":"34603.10156","theoretical_pi":"5.74","general_function":"Involved in ATP binding","specific_function":"ATP + 5-amino-1-(5-phospho-D- ribosyl)imidazole-4-carboxylate + L-aspartate = ADP + phosphate + (S)-2-(5-amino-1-(5-phospho-D-ribosyl)imidazole-4- carboxamido)succinate","reactions":[{"id":1887,"direction":"\u003c\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2476,"direction":"\u003e","locations":null,"altext":"ATP + 5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate + L-aspartate = ADP + phosphate + (S)-2-(5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamido)succinate.","export":false,"pw_reaction_id":null,"source":null}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":"1OBG","cellular_location":null,"genbank_gene_id":"L22015","genbank_protein_id":"349755","gene_card_id":"ADE1","chromosome_location":"chromosome 1","locus":"YAR015W","synonyms":["SAICAR synthetase"],"enzyme_classes":["6.3.2.6"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" binding"},{"category":"Function","description":" nucleoside binding"},{"category":"Function","description":" purine nucleoside binding"},{"category":"Function","description":" adenyl nucleotide binding"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" adenyl ribonucleotide binding"},{"category":"Function","description":" ATP binding"},{"category":"Function","description":" ligase activity"},{"category":"Function","description":" acid-amino acid ligase activity"},{"category":"Function","description":" ligase activity, forming carbon-nitrogen bonds"},{"category":"Function","description":" phosphoribosylaminoimidazolesuccinocarboxamide synthase 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"}],"pfams":[{"name":"SAICAR_synt","identifier":"PF01259"}],"pathways":[{"name":"Purine metabolism","kegg_map_id":"00230"}],"gene_sequence":"ATGTCAATTACGAAGACTGAACTGGACGGTATATTGCCATTGGTGGCCAGAGGTAAAGTTAGAGACATATATGAGGTAGACGCTGGTACGTTGCTGTTTGTTGCTACGGATCGTATCTCTGCATATGACGTTATTATGGAAAACAGCATTCCTGAAAAGGGGATCCTATTGACCAAACTGTCAGAGTTCTGGTTCAAGTTCCTGTCCAACGATGTTCGTAATCATTTGGTCGACATCGCCCCAGGTAAGACTATTTTCGATTATCTACCTGCAAAATTGAGCGAACCAAAGTACAAAACGCAACTAGAAGACCGCTCTCTATTGGTTCACAAACATAAACTAATTCCATTGGAAGTAATTGTCAGAGGCTACATCACCGGATCTGCTTGGAAAGAGTACGTAAAAACAGGTACTGTGCATGGTTTGAAACAACCTCAAGGACTTAAAGAATCTCAAGAGTTCCCAGAACCAATCTTCACCCCATCGACCAAGGCTGAACAAGGTGAACATGACGAAAACATCTCTCCTGCCCAGGCCGCTGAGCTGGTGGGTGAAGATTTGTCACGTAGAGTGGCAGAACTGGCTGTAAAACTGTACTCCAAGTGCAAAGATTATGCTAAGGAGAAGGGCATCATCATCGCAGACACTAAATTCGAATTCGGTATTGACGAAAAGACCAATGAAATTATTCTAGTGGACGAGGTGCTAACGCCAGACTCCTCTAGATTCTGGAACGGTGCCTCTTATAAGGTAGGAGAATCCCAAGATTCTTACGATAAGCAATTTTTAAGAGACTGGCTTACTGCTAATAAGTTGAACGGTGTTAACGGCGTCAAAATGCCCCAAGACATTGTCGACAGGACAAGGGCCAAATATATAGAGGCTTATGAAACATTGACAGGGTCTAAATGGTCTCACTAA","protein_sequence":"MSITKTELDGILPLVARGKVRDIYEVDAGTLLFVATDRISAYDVIMENSIPEKGILLTKLSEFWFKFLSNDVRNHLVDIAPGKTIFDYLPAKLSEPKYKTQLEDRSLLVHKHKLIPLEVIVRGYITGSAWKEYVKTGTVHGLKQPQGLKESQEFPEPIFTPSTKAEQGEHDENISPAQAAELVGEDLSRRVAELAVKLYSKCKDYAKEKGIIIADTKFEFGIDEKTNEIILVDEVLTPDSSRFWNGASYKVGESQDSYDKQFLRDWLTANKLNGVNGVKMPQDIVDRTRAKYIEAYETLTGSKWSH"}]}