{"ymdb_id":"YMDB00871","created_at":"2011-05-29T19:00:05.000Z","updated_at":"2016-09-08T18:36:00.000Z","name":"N6-(1,2-Dicarboxyethyl)-AMP","cas":"19046-78-7","state":"Solid","melting_point":null,"description":"Adenylosuccinate (N6-(1,2-Dicarboxyethyl)-AMP) is an intermediate in the intercoversion of purine nucleotides inosine monophosphate (IMP) and adenosine monophosphate (AMP). The enzyme adenylosuccinate synthase carries out the reaction by the addition of aspartate to IMP and requires the input of energy from a phosphoanhydride bond in the form of guanosine triphosphate (GTP).[1] GTP is used instead of adenosine triphosphate (ATP), so the reaction is not dependent on its products.[Wikipedia]","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":"15919","hmdb_id":"HMDB00536","kegg_id":"C03794","pubchem_id":"447145","cs_id":"24784987","foodb_id":null,"wikipedia_link":"Adenylsuccinate","biocyc_id":null,"iupac":"(2S)-2-({9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-9H-purin-6-yl}amino)butanedioic acid","traditional_iupac":"adenylosuccinic acid","logp":"-4.787805217899403","pka":"2.9995025371712996","alogps_solubility":"2.38e+00 g/l","alogps_logp":"-1.96","alogps_logs":"-2.29","acceptor_count":"14","donor_count":"7","rotatable_bond_count":"9","polar_surface_area":"246.68","refractivity":"96.17579999999997","polarizability":"39.41220188691169","formal_charge":"0","physiological_charge":"-4","pka_strongest_basic":"3.805329410066006","pka_strongest_acidic":"1.21756713563318","bioavailability":"0","number_of_rings":"3","rule_of_five":"0","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"1","synonyms":["6-Succino-5'-adenylate","6-Succino-5'-adenylic acid","adenyl-Succinic acid","adenylosuccinate","adenylosuccinic acid","Adenylsuccinate","Adenylsuccinic acid","Aspartyl adenylate","D-ribofuranosyl)-9H-purin-6-yl]","N(6)-(1,2-dicarboxyethyl)-AMP","N(6)-(1,2-dicarboxyethyl)AMP","N6-(1,2-dicarboxyethyl)-AMP","N6-(1,2-Dicarboxyethyl)AMP","Succinyl AMP","Succinyladenosine 5'-monophosphate","Succinyladenosine monophosphorate","Succinyladenosine monophosphoric acid"],"pathways":[{"name":"Purine metabolism","kegg_map_id":"00230"},{"name":"Alanine, aspartate and glutamate metabolism","kegg_map_id":"00250"},{"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":6351751,"citation":"Porter, D. J., Rudie, N. G., Bright, H. J. (1983). \"Nitro analogs of substrates for adenylosuccinate synthetase and adenylosuccinate lyase.\" Arch Biochem Biophys 225:157-163."},{"pubmed_id":13366975,"citation":"CARTER, C. E., COHEN, L. H. (1956). \"The preparation and properties of adenylosuccinase and adenylosuccinic acid.\" J Biol Chem 222:17-30."}],"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":" lyase activity"},{"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":"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 ribonucleotide biosynthetic process"},{"category":"Process","description":" metabolic 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"}]}