CHEBI:16525 - taurochenodeoxycholic acid

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ChEBI Name taurochenodeoxycholic acid ChEBI ID CHEBI:16525 Definition A bile acid taurine conjugate of chenodeoxycholic acid. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:46136, CHEBI:3590, CHEBI:13961, CHEBI:23096 Supplier Information No supplier information found for this compound. Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C26H45NO6S Net Charge 0 Average Mass 499.70464 Monoisotopic Mass 499.29676 InChI InChI=1S/C26H45NO6S/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17+,18-,19-,20+,21+,22-,24+,25+,26-/m1/s1 InChIKey BHTRKEVKTKCXOH-BJLOMENOSA-N SMILES [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCC(=O)NCCS(O)(=O)=O Metabolite of Species Details Mus musculus (NCBI:txid10090) See: PubMed Homo sapiens (NCBI:txid9606) See: PubMed Roles Classification Biological Role(s): mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). View more via ChEBI Ontology ChEBI Ontology Outgoing taurochenodeoxycholic acid (CHEBI:16525) has functional parent chenodeoxycholic acid (CHEBI:16755) taurochenodeoxycholic acid (CHEBI:16525) has role human metabolite (CHEBI:77746) taurochenodeoxycholic acid (CHEBI:16525) has role mouse metabolite (CHEBI:75771) taurochenodeoxycholic acid (CHEBI:16525) is a bile acid taurine conjugate (CHEBI:23219) taurochenodeoxycholic acid (CHEBI:16525) is conjugate acid of taurochenodeoxycholate (CHEBI:9407) Incoming taurochenodeoxycholic acid-2,2,4,4-d4 (CHEBI:192786) is a taurochenodeoxycholic acid (CHEBI:16525) taurochenodeoxycholate (CHEBI:9407) is conjugate base of taurochenodeoxycholic acid (CHEBI:16525) IUPAC Name 2-[(3α,7α-dihydroxy-24-oxo-5β-cholan-24-yl)amino]ethanesulfonic acid Synonyms Sources Chenodeoxycholoyltaurine KEGG COMPOUND Chenodeoxycholoyltaurine KEGG COMPOUND taurine chenodeoxycholate ChemIDplus taurochenodeoxycholate ChemIDplus taurochenodeoxycholic acid ChemIDplus Taurochenodeoxycholic acid KEGG COMPOUND Manual Xrefs Databases C05465 KEGG COMPOUND HMDB0000951 HMDB LMST05040005 LIPID MAPS TUD PDBeChem View more database links Registry Numbers Types Sources 3228311 Reaxys Registry Number Reaxys 516-35-8 CAS Registry Number ChemIDplus Citations Last Modified 23 December 2018