{"ymdb_id":"YMDB00772","created_at":"2011-05-29T18:51:43.000Z","updated_at":"2016-09-08T18:35:53.000Z","name":"Taurine","cas":"107-35-7","state":"Solid","melting_point":"300 oC","description":"Taurine is a derivative of the sulfur-containing amino acid cysteine and one of the few known naturally occurring sulfonic acids. Taurine is usually found in mammals where it is a major constituent of bile.","experimental_water_solubility":"80.7 mg/mL at 20 oC [YALKOWSKY,SH \u0026 DANNENFELSER,RM (1992)]","experimental_logp_hydrophobicity":null,"location":"extracellular;cytoplasm","synthesis_reference":"Hu, Libo; Zhu, Hui; Du, Da-Ming; Xu, Jiaxi. Efficient synthesis of taurine and structurally diverse substituted taurines from aziridines. Journal of Organic Chemistry  (2007),  72(12),  4543-4546.","chebi_id":"15891","hmdb_id":"HMDB00251","kegg_id":"C00245","pubchem_id":"1123","cs_id":"1091","foodb_id":null,"wikipedia_link":"Taurine","biocyc_id":"TAURINE","iupac":"2-aminoethane-1-sulfonic acid","traditional_iupac":"taurine","logp":"-2.6146873946423876","pka":null,"alogps_solubility":"1.05e+02 g/l","alogps_logp":"-2.19","alogps_logs":"-0.08","acceptor_count":"4","donor_count":"2","rotatable_bond_count":"2","polar_surface_area":"80.39","refractivity":"24.605100000000004","polarizability":"10.824350988998525","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"9.343935759428495","pka_strongest_acidic":"-1.4937847370487942","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["-Aminoethylsulfonic acid","1-Aminoethane-2-sulfonate","1-Aminoethane-2-sulfonic acid","2-Aminoethanesulfonate","2-aminoethanesulfonic acid","2-aminoethyl sulfonate","2-Aminoethylsulfonate","2-Aminoethylsulfonic acid","2-Sulfoethylamine","Aminoethanesulfonic acid","Aminoethylsulfonate","Aminoethylsulfonic acid","b-Aminoethylsulfonate","b-Aminoethylsulfonic acid","beta-Aminoethylsulfonate","beta-Aminoethylsulfonic acid","Ethanesulfonic acid, 2-amino-","O-Due","Taurine"],"pathways":[{"name":"Taurine and hypotaurine metabolism","kegg_map_id":"00430"},{"name":"Sulfur metabolism","kegg_map_id":"00920"},{"name":"Taurine and hypotaurine biosynthesis","kegg_map_id":null}],"growth_conditions":[],"references":[{"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":10482536,"citation":"Hogan, D. A., Auchtung, T. A., Hausinger, R. P. (1999). \"Cloning and characterization of a sulfonate/alpha-ketoglutarate dioxygenase from Saccharomyces cerevisiae.\" J Bacteriol 181:5876-5879."}],"proteins":[{"created_at":"2011-05-27T02:03:15.000Z","updated_at":"2011-05-27T15:01:16.000Z","name":"Alpha-ketoglutarate-dependent sulfonate dioxygenase","uniprot_id":"Q12358","uniprot_name":"JLP1_YEAST","enzyme":true,"transporter":false,"gene_name":"JLP1","num_residues":412,"molecular_weight":"46982.30078","theoretical_pi":"6.65","general_function":"Involved in oxidoreductase activity","specific_function":"Acts as a alpha-ketoglutarate-dependent dioxygenase active on sulfonates. Although taurine is a poor substrate, a variety of other sulfonates are utilized, with the best natural substrates being isethionate and taurocholate","reactions":[{"id":1994,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":14420,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006933","source":"Smpdb"}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":null,"genbank_gene_id":"AY692737","genbank_protein_id":"51012925","gene_card_id":"JLP1","chromosome_location":"chromosome 12","locus":"YLL057C","synonyms":[],"enzyme_classes":["1.14.11.-"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" oxidoreductase activity"},{"category":"Process","description":" metabolic process"},{"category":"Process","description":" oxidation reduction"}],"pfams":[{"name":"TauD","identifier":"PF02668"}],"pathways":[{"name":"Sulfur metabolism","kegg_map_id":"00920"}],"gene_sequence":"ATGTCTCCTGCAGCAGCTCAAACAGCAATCCCTCTTCCATCTACCGATTTACCAGTCAAAATCATTACAAATGGGTTGAAAAACCTGAATTATACCTCCAAGCAAGGTTACGGGAATTTTGATACCCATTTTTATGATGGCCAAGATGAGGTCTCTCCATCTGGTTTATTGAAAATCCGTAAATCTTATAGAGAGAAATCGAAGTATCCAGATTATTTGCCTACATGGGATCCTACTGAAAAGTATGGCCCGCTGGAATTTCACGAATACCATGATCCTGCTTTGAGAGCTGACGGTAACTTTTCAAACCTTTTTGCAAAAGAAAACGTTGGTCAACTAAAGGTGAAGAAGATCACCCCGAAATTAGGTCTCGAGATCAATGGGATCCAGCTAACTGATCTTTCTGATGCTGCAAAAGATGAACTCGCTTTGCTTGTCGCCCAAAAGGGAGTAGTTGTCTTTAGAAATCAGAATTTTGCTGACGAGGGACCCGATTATGTGACTGAATACGGAAGACATTTTGGCAAGTTGCACATTCATCAAACTAGTGGCCACCCTCAAAACAATCCTGAGCTGCATATCACTTTCCGAAGACCTGATGCGGAAGAATTTGCAAGAGTTTTTGATGACTCGACATCATCTGGTGGCTGGCACACAGACGTCTCTTACGAGTTACAGCCACCTTCTTATACTTTCTTTAGTGTTGTTGAAGGTCCTGATGGTGGTGGAGATACGTTATTTGCGGATACGATCGAGGCTTTCGACAGGTTGTCGAAGCCTTTGCAAGATTTCTTGAGCACGCTTCATGTCATCCATAGCTCAAAGGAACAGGCAGAGAATTCACAGCGCCAGGGCGGCATAAAAAGAAGAGCACCTGTCACGCATATTCATCCACTGGTCAGAGTTCATCCTGTCTTGAAAAAGAAATGCTTGTATGTCAATCGTGCATTTTCTAGGAAAATAGTCGAATTGAAAAGACAAGAATCTGAATCACTTTTGAATTTCTTGTACAATCTAGTGGAGAGCAGCCATGATTTACAGTTAAGAGCCAAATGGGAACCTCATTCCGTCGTCATTTGGGATAACCGCAGAGTTCAACATTCAGCAGTGATTGATTGGGAAGAACCAATTCACAGACATGCGTTCAGGATTACTCCACAAGCGGAAAGGCCCGTGGAAGATCTAAAGTTTTTGAATGATGAAAATTATTATCCTTCTTCATTAACTTTGGATATTTGA","protein_sequence":"MSPAAAQTAIPLPSTDLPVKIITNGLKNLNYTSKQGYGNFDTHFYDGQDEVSPSGLLKIRKSYREKSKYPDYLPTWDPTEKYGPLEFHEYHDPALRADGNFSNLFAKENVGQLKVKKITPKLGLEINGIQLTDLSDAAKDELALLVAQKGVVVFRNQNFADEGPDYVTEYGRHFGKLHIHQTSGHPQNNPELHITFRRPDAEEFARVFDDSTSSGGWHTDVSYELQPPSYTFFSVVEGPDGGGDTLFADTIEAFDRLSKPLQDFLSTLHVIHSSKEQAENSQRQGGIKRRAPVTHIHPLVRVHPVLKKKCLYVNRAFSRKIVELKRQESESLLNFLYNLVESSHDLQLRAKWEPHSVVIWDNRRVQHSAVIDWEEPIHRHAFRITPQAERPVEDLKFLNDENYYPSSLTLDI"},{"created_at":"2011-05-27T05:45:58.000Z","updated_at":"2011-05-29T05:06:42.000Z","name":"Glutamate decarboxylase","uniprot_id":"Q04792","uniprot_name":"DCE_YEAST","enzyme":true,"transporter":false,"gene_name":"GAD1","num_residues":585,"molecular_weight":"65989.5","theoretical_pi":"6.61","general_function":"Involved in glutamate decarboxylase activity","specific_function":"L-glutamate = 4-aminobutanoate + CO(2)","reactions":[{"id":1571,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2782,"direction":"\u003e","locations":null,"altext":"L-glutamate = 4-aminobutanoate + CO(2).","export":false,"pw_reaction_id":null,"source":null},{"id":3747,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006274","source":"Smpdb"},{"id":3748,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006857","source":"Smpdb"},{"id":3749,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006858","source":"Smpdb"},{"id":14214,"direction":null,"locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006653","source":"Smpdb"}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":null,"genbank_gene_id":"Z48639","genbank_protein_id":"732928","gene_card_id":"GAD1","chromosome_location":"chromosome 13","locus":"YMR250W","synonyms":["GAD"],"enzyme_classes":["4.1.1.15"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" glutamate decarboxylase activity"},{"category":"Function","description":" lyase activity"},{"category":"Function","description":" carbon-carbon lyase activity"},{"category":"Function","description":" carboxy-lyase activity"},{"category":"Function","description":" binding"},{"category":"Function","description":" cofactor binding"},{"category":"Function","description":" pyridoxal phosphate binding"},{"category":"Process","description":" carboxylic acid metabolic process"},{"category":"Process","description":" metabolic process"},{"category":"Process","description":" cellular metabolic process"},{"category":"Process","description":" cellular amino acid and derivative metabolic process"},{"category":"Process","description":" cellular amino acid metabolic process"},{"category":"Process","description":" glutamine family amino acid metabolic process"},{"category":"Process","description":" glutamate metabolic process"},{"category":"Process","description":" organic acid metabolic process"},{"category":"Process","description":" oxoacid metabolic process"}],"pfams":[{"name":"Pyridoxal_deC","identifier":"PF00282"}],"pathways":[{"name":"Alanine, aspartate and glutamate metabolism","kegg_map_id":"00250"},{"name":"beta-Alanine metabolism","kegg_map_id":"00410"},{"name":"Taurine and hypotaurine metabolism","kegg_map_id":"00430"},{"name":"Butanoate metabolism","kegg_map_id":"00650"},{"name":"Glutamate Metabolism","kegg_map_id":null},{"name":"Taurine and hypotaurine biosynthesis","kegg_map_id":null}],"gene_sequence":"ATGTTACACAGGCACGGTTCTAAGCAGAAGAACTTCGAGAATATCGCTGGAAAAGTTGTCCACGACCTTGCAGGTCTGCAATTGCTTTCTAACGACGTTCAAAAATCCGCTGTCCAAAGTGGTCATCAAGGATCGAACAATATGAGAGATACTTCGTCTCAGGGCATGGCTAATAAGTATTCAGTTCCAAAAAAGGGACTACCTGCTGATTTGTCTTACCAACTGATTCATAATGAATTAACACTTGATGGTAATCCGCATTTGAACCTTGCCAGTTTCGTGAACACTTTTACCACTGATCAGGCAAGGAAATTGATTGATGAAAATTTGACCAAAAATCTTGCTGACAATGATGAATATCCGCAATTAATTGAGCTAACTCAGCGTTGTATTTCTATGCTAGCTCAATTATGGCACGCTAATCCCGATGAAGAACCAATAGGCTGTGCCACCACAGGTTCTAGTGAGGCAATCATGTTGGGTGGACTCGCCATGAAAAAAAGATGGGAACACAGAATGAAGAATGCTGGTAAAGATGCTTCCAAGCCGAACATTATAATGTCTTCTGCGTGCCAAGTGGCATTAGAGAAGTTTACGAGATATTTTGAAGTGGAATGCCGATTGGTTCCGGTATCCCACAGAAGCCATCATATGCTTGACCCAGAGTCGTTATGGGATTATGTAGATGAGAACACTATTGGCTGTTTTGTAATTTTAGGAACCACCTACACTGGCCATTTGGAAAATGTAGAGAAAGTTGCAGATGTCTTGTCCCAAATTGAGGCCAAGCATCCTGATTGGAGCAATACTGATATTCCAATCCATGCGGATGGCGCTTCAGGTGGGTTTATTATCCCATTTGGCTTTGAAAAAGAGCACATGAAAGCTTATGGCATGGAACGTTGGGGGTTCAACCATCCGCGTGTGGTTAGTATGAACACTAGTGGTCATAAGTTTGGCTTAACCACTCCCGGTCTGGGTTGGGTGCTATGGAGAGATGAATCCTTACTGGCTGATGAATTGAGATTCAAACTAAAGTACCTCGGTGGCGTGGAAGAAACTTTCGGTTTGAATTTTTCAAGACCTGGATTTCAAGTTGTCCATCAATACTTCAATTTTGTTTCTCTAGGCCATTCAGGGTATAGAACACAATTCCAAAATTCTCTATTTGTTGCAAGAGCGTTTTCTTTCGAATTATTGAATTCGTCAAAATTGCCCGGATGCTTTGAAATTGTTAGCAGTATCCATGAAAGCATTGAGAACGATTCCGCCCCTAAGTCAGTTAAAGACTATTGGGAACACCCCCAGGCTTACAAACCAGGTGTACCGCTGGTAGCCTTCAAATTGTCCAAGAAATTCCACGAAGAATATCCAGAAGTGCCACAAGCAATCCTTTCCTCTTTACTGAGAGGTAGGGGTTGGATAATACCAAATTACCCACTACCAAAGGCAACGGATGGATCCGATGAGAAGGAGGTATTAAGAGTGGTTTTCAGATCGGAGATGAAGTTGGATTTAGCACAGTTGTTGATCGTTGACATCGAGAGTATCTTGACAAAGTTGATTCATAGTTACGAAAAGGTTTGTCATCATATAGAACTTGCCTCTGAGCAAACTCCAGAGCGCAAGAGTTCGTTCATCTACGAAATGTTGCTGGCATTGGCATCTCCACAAGATGACATCCCAACGCCGGATGAAATCGAAAAGAAAAATAAGCTAAAGGAAACAACAACGAGAAACTATAGAGGAACATGTTGA","protein_sequence":"MLHRHGSKQKNFENIAGKVVHDLAGLQLLSNDVQKSAVQSGHQGSNNMRDTSSQGMANKYSVPKKGLPADLSYQLIHNELTLDGNPHLNLASFVNTFTTDQARKLIDENLTKNLADNDEYPQLIELTQRCISMLAQLWHANPDEEPIGCATTGSSEAIMLGGLAMKKRWEHRMKNAGKDASKPNIIMSSACQVALEKFTRYFEVECRLVPVSHRSHHMLDPESLWDYVDENTIGCFVILGTTYTGHLENVEKVADVLSQIEAKHPDWSNTDIPIHADGASGGFIIPFGFEKEHMKAYGMERWGFNHPRVVSMNTSGHKFGLTTPGLGWVLWRDESLLADELRFKLKYLGGVEETFGLNFSRPGFQVVHQYFNFVSLGHSGYRTQFQNSLFVARAFSFELLNSSKLPGCFEIVSSIHESIENDSAPKSVKDYWEHPQAYKPGVPLVAFKLSKKFHEEYPEVPQAILSSLLRGRGWIIPNYPLPKATDGSDEKEVLRVVFRSEMKLDLAQLLIVDIESILTKLIHSYEKVCHHIELASEQTPERKSSFIYEMLLALASPQDDIPTPDEIEKKNKLKETTTRNYRGTC"}]}