CHEBI:36259 - taurolithocholic acid

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ChEBI Name taurolithocholic acid ChEBI ID CHEBI:36259 Definition The bile acid taurine conjugate of lithocholic acid. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:9411, CHEBI:26859 Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia Formula C26H45NO5S Net Charge 0 Average Mass 483.70400 Monoisotopic Mass 483.30184 InChI InChI=1S/C26H45NO5S/c1-17(4-9-24(29)27-14-15-33(30,31)32)21-7-8-22-20-6-5-18-16-19(28)10-12-25(18,2)23(20)11-13-26(21,22)3/h17-23,28H,4-16H2,1-3H3,(H,27,29)(H,30,31,32)/t17-,18-,19-,20+,21-,22+,23+,25+,26-/m1/s1 InChIKey QBYUNVOYXHFVKC-GBURMNQMSA-N SMILES C[C@H](CCC(=O)NCCS(O)(=O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C Roles Classification Biological Role(s): human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). View more via ChEBI Ontology ChEBI Ontology Outgoing taurolithocholic acid (CHEBI:36259) has functional parent lithocholic acid (CHEBI:16325) taurolithocholic acid (CHEBI:36259) has role human metabolite (CHEBI:77746) taurolithocholic acid (CHEBI:36259) is a bile acid taurine conjugate (CHEBI:23219) taurolithocholic acid (CHEBI:36259) is a monocarboxylic acid amide (CHEBI:29347) taurolithocholic acid (CHEBI:36259) is conjugate acid of taurolithocholate (CHEBI:17179) Incoming Sodium taurolithocholate (CHEBI:229584) has functional parent taurolithocholic acid (CHEBI:36259) taurolithocholic acid sulfate (CHEBI:17864) has functional parent taurolithocholic acid (CHEBI:36259) taurolithocholate (CHEBI:17179) is conjugate base of taurolithocholic acid (CHEBI:36259) IUPAC Name 2-[(3α-hydroxy-24-oxo-5β-cholan-24-yl)amino]ethanesulfonic acid Synonyms Sources lithocholyltaurine ChemIDplus Taurolithocholate KEGG COMPOUND Taurolithocholic acid KEGG COMPOUND Manual Xrefs Databases C02592 KEGG COMPOUND HMDB0000722 HMDB LMST05040003 LIPID MAPS Taurolithocholic_acid Wikipedia View more database links Registry Numbers Types Sources 3181237 Beilstein Registry Number Beilstein 3181237 Reaxys Registry Number Reaxys 516-90-5 CAS Registry Number KEGG COMPOUND 516-90-5 CAS Registry Number ChemIDplus Citations Types Sources 16981261 PubMed citation Europe PMC 19415298 PubMed citation Europe PMC Last Modified 23 October 2015