{"ymdb_id":"YMDB00213","created_at":"2011-05-29T16:07:31.000Z","updated_at":"2016-09-08T18:35:11.000Z","name":"Allantoin","cas":"97-59-6","state":"Solid","melting_point":"239 oC","description":"Allantoin is a heterocyclic nitrogen compound produced during purine degradation. Allantoin is rich in nitrogen, and many organisms are able to degrade it and recycle it. Yeast can use allantoin as sole nitrogen source by degrading it to urea, CO2 and glyoxylate. Urea is further degraded to ammonia. [Biocyc PWY-5694]","experimental_water_solubility":"5.26 mg/mL [YALKOWSKY,SH \u0026 HE,Y (2003)]","experimental_logp_hydrophobicity":null,"location":"extracellular;cytoplasm","synthesis_reference":"Du, Niansheng; Yang, Jianhua; Rena, Kasimu.  Method for isolation of allantoin from Cistanche deserticola.    Faming Zhuanli Shenqing Gongkai Shuomingshu  (2006),  5pp.","chebi_id":"15676","hmdb_id":"HMDB00462","kegg_id":"C01551","pubchem_id":"204","cs_id":"199","foodb_id":null,"wikipedia_link":"Allantoin","biocyc_id":"R--ALLANTOIN","iupac":"(2,5-dioxoimidazolidin-4-yl)urea","traditional_iupac":"allantoin","logp":"-2.360540882","pka":"12.41419987137925","alogps_solubility":"4.73e+00 g/l","alogps_logp":"-1.95","alogps_logs":"-1.52","acceptor_count":"3","donor_count":"4","rotatable_bond_count":"1","polar_surface_area":"113.32","refractivity":"32.0225","polarizability":"12.894797417541849","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-3.3762243606061957","pka_strongest_acidic":"7.948848806915678","bioavailability":"1","number_of_rings":"1","rule_of_five":"1","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["(S)-allantoin","2,5-Dioxo-4-imidazolidinyl-urea","4-ureido-2,5-Imidazolidinedione","5-ureido-Hydantoin","5-Ureidohydantoin","5-Ureidohydrantoin","Alantan","Allantoin","Allantol","Alloxantin","Cordianine","Glyoxyldiureid","Glyoxyldiureide","Glyoxylic diureide","N-(2,5-Dioxo-4-imidazolidinyl)urea","Psoralon","Sebical","Septalan"],"pathways":[],"growth_conditions":[],"references":[{"pubmed_id":21051339,"citation":"UniProt Consortium (2011). \"Ongoing and future developments at the Universal Protein Resource.\" Nucleic Acids Res 39:D214-D219."},{"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."},{"pubmed_id":4604238,"citation":"Lawther, R. P., Riemer, E., Chojnacki, B., Cooper, T. G. (1974). \"Clustering of the genes for allantoin degradation in Saccharomyces cerevisiae.\" J Bacteriol 119:461-468."}],"proteins":[{"created_at":"2011-05-27T03:48:46.000Z","updated_at":"2011-07-22T17:54:09.000Z","name":"Allantoinase","uniprot_id":"P32375","uniprot_name":"ALN_YEAST","enzyme":true,"transporter":false,"gene_name":"DAL1","num_residues":460,"molecular_weight":"50125.89844","theoretical_pi":"5.85","general_function":"Involved in allantoinase activity","specific_function":"Utilization of purines as secondary nitrogen sources, when primary sources are limiting","reactions":[{"id":1311,"direction":"\u003c\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2746,"direction":"\u003e","locations":"Cytoplasmic","altext":"(S)-allantoin + H(2)O = allantoate.","export":false,"pw_reaction_id":null,"source":null}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":"Cytoplasmic","genbank_gene_id":"Z38061","genbank_protein_id":"557833","gene_card_id":"DAL1","chromosome_location":"chromosome 9","locus":"YIR027C","synonyms":[],"enzyme_classes":["3.5.2.5"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" hydrolase activity"},{"category":"Function","description":" hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds"},{"category":"Function","description":" hydrolase activity, acting on ester bonds"},{"category":"Function","description":" hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in cyclic amides"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" nuclease activity"},{"category":"Function","description":" endonuclease activity"},{"category":"Function","description":" endodeoxyribonuclease activity"},{"category":"Function","description":" binding"},{"category":"Function","description":" endodeoxyribonuclease activity, producing 5'-phosphomonoesters"},{"category":"Function","description":" ion binding"},{"category":"Function","description":" allantoinase activity"},{"category":"Function","description":" cation binding"},{"category":"Function","description":" metal ion binding"},{"category":"Function","description":" transition metal ion binding"},{"category":"Function","description":" zinc ion binding"},{"category":"Process","description":" amine metabolic process"},{"category":"Process","description":" allantoin metabolic process"},{"category":"Process","description":" allantoin catabolic process"},{"category":"Process","description":" metabolic process"},{"category":"Process","description":" nitrogen compound metabolic process"}],"pfams":[{"name":"Amidohydro_1","identifier":"PF01979"}],"pathways":[{"name":"Purine metabolism","kegg_map_id":"00230"}],"gene_sequence":"ATGCCTATCAATGCCATCACTTCCGACCATGTCATTATCAATGGTGCAAATAAACCTGCGACTATTGTGTATTCGACCGAATCAGGCACGATTCTGGATGTTTTAGAAGGCTCCGTGGTTATGGAGAAAACTGAGATAACCAAATATGAAATACATACGCTGGAGAACGTATCTCCATGTACAATTCTGCCTGGACTTGTGGACTCTCATGTTCACTTGAACGAGCCCGGTAGGACTAGCTGGGAAGGATTCGAAACTGGAACTCAAGCTGCTATTAGTGGCGGGGTCACAACGGTGGTTGATATGCCGCTAAATGCTATTCCTCCCACAACAAATGTGGAGAATTTCCGAATTAAATTGGAAGCTGCTGAGGGCCAAATGTGGTGCGATGTTGGGTTTTGGGGTGGACTGGTACCACACAACTTGCCAGACTTAATTCCGCTTGTCAAAGCTGGCGTTCGCGGGTTCAAAGGATTCTTGCTTGATTCTGGTGTGGAAGAATTCCCTCCAATTGGCAAAGAATATATAGAAGAAGCCTTGAAGGTCTTAGCCGAGGAGGATACCATGATGATGTTTCATGCTGAGTTGCCCAAGGCACATGAGGACCAACAGCAACCCGAGCAAAGCCATCGTGAATATTCTTCGTTTTTGTCCTCGAGGCCGGATTCTTTCGAAATAGACGCCATCAATTTGATTCTCGAATGCTTGAGAGCCAGAAATGGACCAGTTCCTCCTGTACATATAGTTCATCTGGCATCAATGAAAGCAATTCCCTTGATCAGAAAGGCACGTGCGTCAGGGCTACCAGTCACAACAGAGACTTGTTTCCACTATTTGTGTATTGCTGCAGAGCAGATCCCAGACGGAGCCACCTACTTTAAATGTTGTCCACCCATCCGCTCTGAGTCTAATCGCCAAGGCCTATGGGACGCTTTGCGTGAAGGTGTTATAGGCTCAGTAGTGAGCGACCATTCGCCATGCACCCCTGAGTTGAAGAACTTGCAAAAAGGTGACTTTTTCGATTCTTGGGGAGGAATCGCTTCCGTCGGACTAGGTTTGCCATTGATGTTTACCCAAGGCTGCTCTTTGGTCGATATCGTTACATGGTGCTGTAAAAATACATCCCATCAGGTAGGACTATCTCACCAAAAAGGCACTATAGCTCCCGGGTACGATGCTGATTTGGTGGTATTTGATACTGCAAGTAAACATAAAATAAGTAATTCAAGTGTCTACTTCAAAAACAAATTGACTGCCTACAACGGGATGACGGTCAAGGGCACAGTTTTGAAAACCATATTAAGAGGCCAGGTGGTATATACGAATGCCAACGGAGTCTCGAAAACACCATTGGGTCAAACTTTGCTTGATTCTAGACGTTAA","protein_sequence":"MPINAITSDHVIINGANKPATIVYSTESGTILDVLEGSVVMEKTEITKYEIHTLENVSPCTILPGLVDSHVHLNEPGRTSWEGFETGTQAAISGGVTTVVDMPLNAIPPTTNVENFRIKLEAAEGQMWCDVGFWGGLVPHNLPDLIPLVKAGVRGFKGFLLDSGVEEFPPIGKEYIEEALKVLAEEDTMMMFHAELPKAHEDQQQPEQSHREYSSFLSSRPDSFEIDAINLILECLRARNGPVPPVHIVHLASMKAIPLIRKARASGLPVTTETCFHYLCIAAEQIPDGATYFKCCPPIRSESNRQGLWDALREGVIGSVVSDHSPCTPELKNLQKGDFFDSWGGIASVGLGLPLMFTQGCSLVDIVTWCCKNTSHQVGLSHQKGTIAPGYDADLVVFDTASKHKISNSSVYFKNKLTAYNGMTVKGTVLKTILRGQVVYTNANGVSKTPLGQTLLDSRR"},{"created_at":"2011-05-27T04:03:03.000Z","updated_at":"2011-06-05T01:30:54.000Z","name":"Allantoin permease","uniprot_id":"Q04895","uniprot_name":"DAL4_YEAST","enzyme":false,"transporter":true,"gene_name":"DAL4","num_residues":635,"molecular_weight":"71755.5","theoretical_pi":"7.92","general_function":"Involved in nucleobase transmembrane transporter activity","specific_function":"Transport of allantoin","reactions":[],"signal_regions":"None","transmembrane_regions":"145-165;175-195;199-219;244-264;270-290;312-332;352-372;402-422;444-464;467-487;523-543;561-581","pdb_id":null,"cellular_location":"Membrane; Multi-pass membrane protein","genbank_gene_id":"Z15121","genbank_protein_id":"3637","gene_card_id":"DAL4","chromosome_location":"chromosome 9","locus":"YIR028W","synonyms":["Allantoin transport protein"],"enzyme_classes":[],"go_classes":[{"category":"Component","description":" cell part"},{"category":"Component","description":" membrane"},{"category":"Function","description":" transporter activity"},{"category":"Function","description":" transmembrane transporter activity"},{"category":"Function","description":" substrate-specific transmembrane transporter activity"},{"category":"Function","description":" nucleobase, nucleoside, nucleotide and nucleic acid transmembrane transporter activity"},{"category":"Function","description":" nucleobase transmembrane transporter activity"},{"category":"Process","description":" nucleobase, nucleoside, nucleotide and nucleic acid transport"},{"category":"Process","description":" transmembrane transport"},{"category":"Process","description":" establishment of localization"},{"category":"Process","description":" transport"}],"pfams":[{"name":"Transp_cyt_pur","identifier":"PF02133"}],"pathways":[],"gene_sequence":"ATGGCTAACGACGCTCTAAGTGCTATTTTCAGTAATCCTTCGAGGAAAGGTGTCCAACCCTCCACATCTATTGTGTCATATACAAACAATGAAGATGATATTATAGATGTGGAAAATGGGAAGTTCAACAAGAACAAGAATATCAACACTAATGTGTATGTGGACAACTCCTCAATAGAGGAGAGCGAAGTCGTGCCCTTGCCCGAAACAAAGTCCATCTGGAGTAAAATATACTACGATTTCATTGTGTTAGACAAGACAACTTTGAATGTTTCGTTGAAAGAGTCGTTCTTGTATAACAGAGACTTGAAACCGGTTGAAGAAGAAAGAAGGTGTTGGTCCTGGTTCAATTACTTATATTTCTGGCTGGCAGACTGTTTCAATATTAACACATGGCAAATAGCTGGTACAGGTCTACAACTAGGTCTGAATTGGTGGCAATGTTGGCTTACAGTTTGGATCGGCTACACTTTTGCAGGTATCTTCGTAGTATTGAACTCGAGATTTGGTTCCGCATATCACTTATCTTTCCCTATTACTGTTAGGGCCTCATTTGGTATATTCTTTTCTATGTGGCCGATTATAAATCGTGTCGTGATGGCTATAGTATGGTATGCCGTGCAAGCCTGGTTAGGTGCAACGCCCGTGGCACTGATGCTAAAATCTATTTTTGGCAAGAATCTGGAAGATAGAATCCCAAACCATTTTGGTTCTCCAAATAGCACTACTTTTGAATTCATGTGTTTCTTTATATTTTGGGTGGTCAGTATACCATTTGTCCTAGTGGCTCCTCATAAAATCAGGCATTTATTCACAGTAAAAGCAGCTTTGATCCCCTTCGCAGCCTTTGGATTTTTAATCTGGGCTTTGAAGAAATCGCACGGTAAAATTGAGTTGGGGACGCTGAATGATTATTCACCTCATGGTTCCGAATTTTCATGGATATTCGTTAGATCCCTAATGGCCTGTGTTGCTAACTTTGCCGCTTTGATTATCAACGCCCCTGACTTCGGTAGATTTGCCAAAAATCCTCAAGCGTCTTTGTGGCCACAATTGGTTGCCATCCCATTGTTCTTCGCCATAACATGTTTGATCGGTATCATTGTTACTGCGGCCGGTTATCACTTATATGGGGTTAACTATTGGTCACCACTGGATGTACTTGGTCAATTTTTGGAGACCACTTACACCAGAGGTACTAGGGCTGGTGTGTTCTTGATTTCTTTTGTATTTGCCTTAGCTCAACTGGGTACAAACATTTCTGCCAACTCTCTGGCATGTGGTGCTGATATGACGGCTTTGTTTCCAAGATATATTAATATTAGAAGAGGTTCTTTATTCTGTGTGGCAATGGCTCTATGTATCTGTCCATGGAACTTAATGGCCAGTTCAAGTAAGTTCACCAGCGCTTTGGGTGCTTATGCAATTTTCCTTTCCAGTATTGCTGGTGTCATTTGCGCGGATTATTTCGTAGTAAGAAGAGGATATGTGAAATTAACACATTTATTCCTGGCACAGAAGGGTTCCTTTTACATGTTTGGAAACAAATTTGGTGCCAATTGGAGGGCCTTTGTTGCGTATATTTGCGGTATCGCTCCAAATTTACCAGGTTTTATAGGTGATGTTGGAGCTCCAAAAATTACGGTTTCAGAGGGTGCAATGAGGTTATACTATTTAGGTTATCCGGTAGGTTTCTTTATTAGTGCGGTGATATACCTCATATTATGTTACTTTTTTCCTGTCCCTGGTACTCCCGTAACCAATTTTCTGACAGAGAAAGGATGGTTCCAAAGATGGGCTTATGTTGAGGACTTCGAGCAAGATTGGAAGAATGAGTTACGTAGGGATGACCTCTGCGATGACACAGTCAGTATCTATGATGGCACCGAGGAAAAGATAGTTTACTAA","protein_sequence":"MANDALSAIFSNPSRKGVQPSTSIVSYTNNEDDIIDVENGKFNKNKNINTNVYVDNSSIEESEVVPLPETKSIWSKIYYDFIVLDKTTLNVSLKESFLYNRDLKPVEEERRCWSWFNYLYFWLADCFNINTWQIAGTGLQLGLNWWQCWLTVWIGYTFAGIFVVLNSRFGSAYHLSFPITVRASFGIFFSMWPIINRVVMAIVWYAVQAWLGATPVALMLKSIFGKNLEDRIPNHFGSPNSTTFEFMCFFIFWVVSIPFVLVAPHKIRHLFTVKAALIPFAAFGFLIWALKKSHGKIELGTLNDYSPHGSEFSWIFVRSLMACVANFAALIINAPDFGRFAKNPQASLWPQLVAIPLFFAITCLIGIIVTAAGYHLYGVNYWSPLDVLGQFLETTYTRGTRAGVFLISFVFALAQLGTNISANSLACGADMTALFPRYINIRRGSLFCVAMALCICPWNLMASSSKFTSALGAYAIFLSSIAGVICADYFVVRRGYVKLTHLFLAQKGSFYMFGNKFGANWRAFVAYICGIAPNLPGFIGDVGAPKITVSEGAMRLYYLGYPVGFFISAVIYLILCYFFPVPGTPVTNFLTEKGWFQRWAYVEDFEQDWKNELRRDDLCDDTVSIYDGTEEKIVY"}]}