{"ymdb_id":"YMDB00770","created_at":"2011-05-29T18:51:35.000Z","updated_at":"2016-09-08T18:35:52.000Z","name":"taurocholic acid","cas":"81-24-3","state":"Solid","melting_point":"125 oC","description":"Taurocholic acid is a sterol and a conjugate of cholic acid with taurine. Taurine is usually found in mammals where it is a major constituent of bile.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":"vacuole;cytoplasm","synthesis_reference":"Schersten, Tore; Bjorntorp, Per; Ekdahi, Per H.; Bjorkerud, Soren.  Synthesis of taurocholic and glycocholic acids by preparations of human liver.  II.  An analysis of the stimulating effect of the L fraction.    Biochimica et Biophysica Acta, General Sub","chebi_id":"28865","hmdb_id":"HMDB00036","kegg_id":"C05122","pubchem_id":"440567","cs_id":"24850150","foodb_id":null,"wikipedia_link":"Taurocholic_acid","biocyc_id":"CPD-3743","iupac":"2-[(4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R,16S)-5,9,16-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanamido]ethane-1-sulfonic acid","traditional_iupac":"2-[(4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R,16S)-5,9,16-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanamido]ethanesulfonic acid","logp":"-0.2443067183096018","pka":"15.402104140110847","alogps_solubility":"7.71e-02 g/l","alogps_logp":"0.79","alogps_logs":"-3.83","acceptor_count":"7","donor_count":"5","rotatable_bond_count":"7","polar_surface_area":"144.16","refractivity":"132.19449999999998","polarizability":"57.35935612622693","formal_charge":"0","physiological_charge":"-1","pka_strongest_basic":"-0.053328131348413965","pka_strongest_acidic":"-0.8802770884096507","bioavailability":"1","number_of_rings":"4","rule_of_five":"0","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"1","synonyms":["3a,7a,12a-Trihydroxy-5b-cholanic acid-24-taurine","3alpha,7alpha,12alpha-trihydroxy-5beta-cholanic acid 24-taurine","bile acid","Cholaic acid","Cholic acid taurine conjugate","Choloyl-taurine","cholyltaurine","n-choloyl-Taurine","N-Choloyltaurine","Taurine, N-choloyl-","taurocholate","Taurocholic acid"],"pathways":[{"name":"Taurine and hypotaurine metabolism","kegg_map_id":"00430"}],"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":11853683,"citation":"Rebbeor, J. F., Connolly, G. C., Ballatori, N. (2002). \"Inhibition of Mrp2- and Ycf1p-mediated transport by reducing agents: evidence for GSH transport on rat Mrp2.\" Biochim Biophys Acta 1559:171-178."}],"proteins":[{"created_at":"2011-05-27T07:33:15.000Z","updated_at":"2011-06-05T01:06:02.000Z","name":"ATP-dependent bile acid permease","uniprot_id":"P32386","uniprot_name":"YBT1_YEAST","enzyme":false,"transporter":true,"gene_name":"YBT1","num_residues":1661,"molecular_weight":"189160.0","theoretical_pi":"8.22","general_function":"Involved in ATP binding","specific_function":"Exhibits ATP-dependent bile acid transport","reactions":[{"id":1993,"direction":"\u003e","locations":"vacuole;cytoplasm;vacuolar membrane","altext":null,"export":true,"pw_reaction_id":null,"source":null}],"signal_regions":"None","transmembrane_regions":"34-54;75-95;134-154;167-187;206-226;346-366;394-414;496-516;520-540;603-623;645-665;1054-1074;1115-1135;1179-1199;1201-1221;1293-1313;1316-1336","pdb_id":null,"cellular_location":"Membrane; Multi-pass membrane protein (Potential)","genbank_gene_id":"Z73153","genbank_protein_id":"1360247","gene_card_id":"YBT1","chromosome_location":"chromosome 12","locus":"YLL048C","synonyms":[],"enzyme_classes":[],"go_classes":[{"category":"Component","description":" cell part"},{"category":"Component","description":" membrane part"},{"category":"Component","description":" intrinsic to membrane"},{"category":"Component","description":" integral to membrane"},{"category":"Function","description":" ATPase activity"},{"category":"Function","description":" ATP binding"},{"category":"Function","description":" nucleotide binding"},{"category":"Function","description":" transporter activity"},{"category":"Function","description":" transmembrane transporter activity"},{"category":"Function","description":" active transmembrane transporter activity"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" hydrolase activity"},{"category":"Function","description":" hydrolase activity, acting on acid anhydrides"},{"category":"Function","description":" hydrolase activity, acting on acid anhydrides, in phosphorus-containing anhydrides"},{"category":"Function","description":" primary active transmembrane transporter activity"},{"category":"Function","description":" binding"},{"category":"Function","description":" P-P-bond-hydrolysis-driven transmembrane transporter activity"},{"category":"Function","description":" nucleoside binding"},{"category":"Function","description":" ATPase activity, coupled to transmembrane movement of substances"},{"category":"Function","description":" purine nucleoside binding"},{"category":"Function","description":" pyrophosphatase activity"},{"category":"Function","description":" adenyl nucleotide binding"},{"category":"Function","description":" nucleoside-triphosphatase activity"},{"category":"Function","description":" adenyl ribonucleotide binding"},{"category":"Process","description":" transmembrane transport"},{"category":"Process","description":" establishment of localization"},{"category":"Process","description":" transport"}],"pfams":[{"name":"ABC_membrane","identifier":"PF00664"},{"name":"ABC_tran","identifier":"PF00005"}],"pathways":[],"gene_sequence":"ATGCATCACGTACTCAATTCAACGAGACCTGACCATCGGTTTTGGTTTTACGATGACGTAACTCAGTACGGCAGAACAAAGTACCTTAATTATTATACTCCCTTAGTGCTTTTAATATTCACGGTGTTGTTCATAACTTATAACATATGGAAACATTATTACTACTATGACGTTCTACACTTGAAGCAAAAAAATCCAATTGATGAACTTTTATACTCATCTACCGACGAAGACGAACAGAGTCCGTTGATAAATAATAACACCATCACAACTAATTACGTGGACAATAATTGTACAAAAGACGCACTAAAAAATAGACACTTTTCTCTGGAAAAGCTGAAATCAGTTAAGGTAAATGGAGAACCTCATGGTACACCTGAAATAGTTAGAAGAGGCTTCATTGAAAAATCAAGAATTATCCTTGAATTTTTTTTGGTACTTTCTCAAGTTATAATACATTCTTTTATACTATTACACTATGTCAATAAAAACCCAGAGTTCACCCAACAAGGTACGATTACTGGTTTGGTAGAATGGTGTGCATTGTTTATCATTGTCTCTTTACGTTTAGCAAATGTCAACCAAAATTTCAAATTCATAAACAAATATCCCGGAAATCTATGGTCGGTATCGTTCATAAACTATTTGGCCTTGTTTATCTCTATGATTTTACCCTTTCGTTCCATTTTCATTCACCATATAAACAGTCCTATTTCGAGAAAGTATTACATTTCACAAATATCGATTAACCTTGCCCTTTTCTTGCTACTCTTTTTTGCGAGGATAAGAAATAATTTTGCCATCATCTATAAAACTGACAGCTGGATTACTCCATCTCCAGAACCAGTCACTTCTATTGCTGGATTCATATGCTGGGCTTGGTTAGACAGTTTTGTTTGGAAAGCACACAAAGTTAGTATCAAAGTTAAGGATATTTGGGGATTGATGATGCAAGATTATTCTTTCTTTGTAGTGAAAAAATTCAGATATTTTGTTGACCATAAGGTTAAAAGGAAGCGTATTTTTTCACTAAACCTTTTCTTTTTCTTTTCGAATTATTTGGTACTACAATGCTTTTGGGCATTTTTAGGCAGCGTCCTTTCTTTTATTCCAACAGTTTTACTAAAAAGGATCCTGGAATATGTTGAAGATCAGTCATCTGCTCCCTCAAATTTAGCTTGGTTTTACGTCACTGTCATGTTTGTAGGTAGGATATTAGTGGCTATTTGTCAAGCACAGGCACTATTCTTTGGAAGGAGAGTTTGTATCAGAATGAAAAGTATTATAATCTCTGAGATTTATACTAAAGCTTTGAGAAGAAAGATTTCCACCAACAAGACTAAACCTTCTAATGAGGATCCACAGGAAATTAATGATCAAAAAAGTATCAACGGCGATGAGGAGTCCACTTCTTCTGCCAACCTTGGAGCGATTATTAATCTCATGGCTATTGACGCTTTCAAGGTTTCTGAAATTTGTGGTTACCTTCATTCATTTTTGGAGGCTTTTGTTATGACTGTTGTCGCACTGGCGCTGTTATACCGTCTGCTGGGTTTTGCTGCGATTGTGGGTGTCTTAATCATTGTCGCAATGCTTCCACTGAATTATAAGCTTGCCAAGTACATCGGCGATTTGCAAAAGAAAAACTTGGCTGTCACAGATAATCGTATTCAAAAGTTGAATGAAGCTTTTCAAGCTATCAGAATCATCAAATACTTTTCATGGGAGGAGAATTTTGAAAAAGATATCAATACTATTAGAGAAAATGAATTATCTCTACTGCTAATGAGATCCATTGTTTGGTCTATCAGTTCCTTTCTTTGGTTTGTTACCCCAACTATTGTAACAGCCGCCTCATTTGCTTACTACATTTACGTTCAAGGCGAGGTATTAACCACTCCGGTTGCCTTTACTGCACTTTCTTTATTCACGTTATTAAGAGATCCTTTGGATCGTTTGTCTGATATGTTAAGTTTTGTCGTTCAATCAAAGGTCTCGTTAGATAGAGTTCAGGATTTCTTAAATGAAAATGATACAAAGAAATACGATCAACTGACCATAGATCCAAATGGAAACAGATTTGCCTTTGAGAATTCCACCATCTCTTGGGATAAGGACAATCAAGATTTCAAATTGAAAGACTTGAACATTGAATTCAAAACTGGTAAACTAAATGTCGTTATTGGCCCCACTGGTTCTGGTAAGACATCCCTACTAATGGCATTATTAGGTGAAATGTATCTACTCAATGGTAAGGTTGTCGTCCCAGCTCTAGAACCAAGGCAGGAACTAATAGTAGATGCGAATGGAACCACTAACTCTATCGCTTATTGTTCTCAGGCCGCTTGGCTTCTAAATGATACTGTAAAAAACAACATTTTATTCAATAGTCCATTCAATGAGGCAAGATATAAAGCTGTTGTCGAAGCATGCGGATTGAAACGTGATTTTGAGATCTTGAAAGCCGGTGACCTAACAGAAATCGGTGAGAAGGGTATTACTTTATCCGGTGGTCAAAAGCAGAGAGTCTCCCTTGCTAGAGCCTTGTATTCCAATGCTAGGCATGTCCTTTTGGATGATTGTTTAAGTGCAGTTGATTCACATACTGCATCTTGGATTTACGATAATTGTATTACTGGACCATTAATGGAAGATAGGACATGTATTTTGGTTTCACACAACATCGCCTTGACCTTGAGAAATGCTGAATTGGTAGTCTTACTAGAAGATGGTAGGGTTAAAGACCAAGGTGATCCAATAGACATGTTACAGAAGGGTTTGTTTGGTGAAGACGAGTTAGTGAAAAGTAGTATCTTATCGCGTGCAAACTCTTCTGCTAACTTAGCCGCAAAAAGTAGCACAAGCTTAAGTAACCTACCCGCTGTCAAAGAACAACAAGTTAGCGTGAACAACAACTCCTCCCACTTTGAAGCCAAGAAACTTCAAAAATCATTGAGGACAGAAGCTGAACGCACTGAAGATGGTAAATTAATAAAAGAGGAAACAAAAGAAGAAGGTGTGGTTGGTCTGGATGTCTATAAATGGTATTTGAAAATTTTTGGTGGTTGGAAGATTGTTTCATTTTTAGCTTCCTTGTTCTTGATAGCCCAACTTTTGTATATCGGACAATCATGGTGGGTTCGTGCCTGGGCGTCACACAATGTCATTGCTAAAATTATTCCCAGAGCACAACGCGCTATTGCATTTATCTCCAAGAAGGCTAGTCATCTAATTGATTGGAGGGGCTCGTCCCAAATCAGTATGGCGTCAGCTGAAAACCAACCTTCCAGTGGACACTCTACAATGTATTATCTGGTTTTGTACCTAATCATTGGTTTTGCTCAGGCTTTATTGGGAGCTGGTAAAACTATTTTAAATTTCGTTGCTGGTATCAACGCGTCAAGAAAGATATTTAATATGATTCTAAACAAGGTTTTACACTCCAAGATAAGATTTTTTGATGCTACTCCAACAGGTAGAATTATGAACAGGTTTTCCAAGGATATCGAAGCTATTGATCAGGAACTGACACCTTATATACAAGGCGCCTTCTATTCGCTTATTGAATGTTTATCCACCGTCATACTGATTACATTTATTACTCCACAGTTCTTATCTGTTGCTATAGTTGTTTCAATATTGTATTATTTTGTTGGGTATTTCTACATGGCAGGTTCTCGTGAATTGAAAAGATTTGAATCTATTTCTAGATCACCGATCTATCAACATTTTTCCGAGACTCTTGTCGGTGTTACCACCATTCGTGCGTTTGGTGATGAAGGGAGGTTTATGCAAGAGAATTTACACAAAATTGATGAAAATAATAAACCATTCTTCTACTTGTGGGTTGCTAATCGTTGGTTGGCCTTTAGGATAGATATGATTGGATCCTTGGTCATTTTTGGAGCTGGTTTGTTCATTCTATTCAATATTAATAATCTGGATTCGGGTATGGCTGGTATATCTTTGACGTATGCTATTTCCTTCACTGAAGGGGCATTGTGGTTGGTAAGATTGTACTCTGAAGTGGAGATGAATATGAATTCTGTTGAAAGAGTCAAAGAATATATGGAAATTGAGCAAGAGCCATACAACGAACACAAAGAAATACCGCCACCACAATGGCCACAAGACGGTAAAATCGAGGTTAATGATTTATCATTACGGTATGCTCCAAATCTACCTAGAGTAATTAAAAATGTTTCATTTTCTGTCGACGCTCAGTCTAAGATCGGTATTGTTGGTAGAACCGGTGCCGGTAAATCAACTATTATTACCGCCTTGTTCAGATTTTTGGAACCTGAGACAGGCCATATCAAAATTGATAATATCGATATTTCCGGTGTTGATTTACAAAGACTGCGTCGTTCTATAACTATTATTCCACAAGATCCAACACTATTCTCAGGGACGATTAAAACAAACCTAGACCCATATGATGAATTTAGTGACAGACAGATCTTTGAAGCTTTGAAACGTGTAAATCTAATTAGTGAAGAACAATTACAACAAGGCGCCACAAGAGAAACAAGCAATGAGGCTTCGTCGACTAACTCCGAAAATGTTAATAAATTCTTGGATTTAAGTAGTGAAATTAGCGAAGGTGGATCCAATTTGTCTCAAGGACAGCGCCAATTGATGTGCCTTGCTAGATCTTTACTGAGGAGTCCAAAGATCATATTGCTGGACGAAGCTACAGCGTCCATCGACTACAGTTCCGATGCGAAGATCCAAGAAACCATAAGAAAAGAGTTCCAAGGTAGTACAATTTTGACAATTGCACATAGGTTGAGATCTGTTATCGATTATGATAAAATTTTGGTGATGGATGCAGGTGAGGTAAAAGAGTATGATCACCCATATTCTTTGTTACTTAACAAACAAAGTGCCTTTTATAGCATGTGTGAGCATAGTGGAGAATTGGATATCCTAATTGAATTGGCTAAAAAAGCCTTTGTGGAAAAATTGAACTCTAAAAAGGACTAG","protein_sequence":"MHHVLNSTRPDHRFWFYDDVTQYGRTKYLNYYTPLVLLIFTVLFITYNIWKHYYYYDVLHLKQKNPIDELLYSSTDEDEQSPLINNNTITTNYVDNNCTKDALKNRHFSLEKLKSVKVNGEPHGTPEIVRRGFIEKSRIILEFFLVLSQVIIHSFILLHYVNKNPEFTQQGTITGLVEWCALFIIVSLRLANVNQNFKFINKYPGNLWSVSFINYLALFISMILPFRSIFIHHINSPISRKYYISQISINLALFLLLFFARIRNNFAIIYKTDSWITPSPEPVTSIAGFICWAWLDSFVWKAHKVSIKVKDIWGLMMQDYSFFVVKKFRYFVDHKVKRKRIFSLNLFFFFSNYLVLQCFWAFLGSVLSFIPTVLLKRILEYVEDQSSAPSNLAWFYVTVMFVGRILVAICQAQALFFGRRVCIRMKSIIISEIYTKALRRKISTNKTKPSNEDPQEINDQKSINGDEESTSSANLGAIINLMAIDAFKVSEICGYLHSFLEAFVMTVVALALLYRLLGFAAIVGVLIIVAMLPLNYKLAKYIGDLQKKNLAVTDNRIQKLNEAFQAIRIIKYFSWEENFEKDINTIRENELSLLLMRSIVWSISSFLWFVTPTIVTAASFAYYIYVQGEVLTTPVAFTALSLFTLLRDPLDRLSDMLSFVVQSKVSLDRVQDFLNENDTKKYDQLTIDPNGNRFAFENSTISWDKDNQDFKLKDLNIEFKTGKLNVVIGPTGSGKTSLLMALLGEMYLLNGKVVVPALEPRQELIVDANGTTNSIAYCSQAAWLLNDTVKNNILFNSPFNEARYKAVVEACGLKRDFEILKAGDLTEIGEKGITLSGGQKQRVSLARALYSNARHVLLDDCLSAVDSHTASWIYDNCITGPLMEDRTCILVSHNIALTLRNAELVVLLEDGRVKDQGDPIDMLQKGLFGEDELVKSSILSRANSSANLAAKSSTSLSNLPAVKEQQVSVNNNSSHFEAKKLQKSLRTEAERTEDGKLIKEETKEEGVVGLDVYKWYLKIFGGWKIVSFLASLFLIAQLLYIGQSWWVRAWASHNVIAKIIPRAQRAIAFISKKASHLIDWRGSSQISMASAENQPSSGHSTMYYLVLYLIIGFAQALLGAGKTILNFVAGINASRKIFNMILNKVLHSKIRFFDATPTGRIMNRFSKDIEAIDQELTPYIQGAFYSLIECLSTVILITFITPQFLSVAIVVSILYYFVGYFYMAGSRELKRFESISRSPIYQHFSETLVGVTTIRAFGDEGRFMQENLHKIDENNKPFFYLWVANRWLAFRIDMIGSLVIFGAGLFILFNINNLDSGMAGISLTYAISFTEGALWLVRLYSEVEMNMNSVERVKEYMEIEQEPYNEHKEIPPPQWPQDGKIEVNDLSLRYAPNLPRVIKNVSFSVDAQSKIGIVGRTGAGKSTIITALFRFLEPETGHIKIDNIDISGVDLQRLRRSITIIPQDPTLFSGTIKTNLDPYDEFSDRQIFEALKRVNLISEEQLQQGATRETSNEASSTNSENVNKFLDLSSEISEGGSNLSQGQRQLMCLARSLLRSPKIILLDEATASIDYSSDAKIQETIRKEFQGSTILTIAHRLRSVIDYDKILVMDAGEVKEYDHPYSLLLNKQSAFYSMCEHSGELDILIELAKKAFVEKLNSKKD"}]}