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taurochenodeoxycholate
"The conjugate base of taurochenodeoxycholic acid arising from deprotonation of the sulfonate OH group; major species at pH 7.3."


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04. Bioactive Capabilities of Specific Chemicals : Hydrolases [EC:3]
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08. Chemical Category: ion [CHEBI:24870]
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04. Bioactive Capabilities of Specific Chemicals  
04. Bioactive Capabilities of Specific Chemicals
 Oxidoreductases [EC:1] (1697) 
 Acting on paired donors, with incorporation or reduction of molecular oxygen [EC:1.14] (587) 
 With NADH or NADPH as one donor, and incorporation of one atom of oxygen [EC:1.14.13] (391) 
 Taurochenodeoxycholate 6-alpha-hydroxylase [EC:1.14.13.97] (9) 
 taurochenodeoxycholate [CHEBI:9407] (1)
 Hydrolases [EC:3] (824) 
 Acting on carbon-nitrogen bonds, other than peptide bonds [EC:3.5] (303) 
 In linear amides [EC:3.5.1] (174) 
 Chenodeoxycholoyltaurine hydrolase [EC:3.5.1.74] (3) 
 taurochenodeoxycholate [CHEBI:9407] (1)
08. Chemical Category 
08. Chemical Category
 ion [CHEBI:24870] (4391) 
 anion [CHEBI:22563] (3454) 
 organic anion [CHEBI:25696] (3155) 
 steroid acid anion [CHEBI:50160] (34) 
 taurochenodeoxycholate [CHEBI:9407] (1)
 organic ion [CHEBI:25699] (3577) 
 organic anion [CHEBI:25696] (3155) 
 steroid acid anion [CHEBI:50160] (34) 
 taurochenodeoxycholate [CHEBI:9407] (1)
 main group molecular entity [CHEBI:33579] (25650) 
 p-block molecular entity [CHEBI:33675] (25343) 
 carbon group molecular entity [CHEBI:33582] (23847) 
 organic molecular entity [CHEBI:50860] (23769) 
 lipid [CHEBI:18059] (3532) 
 steroid [CHEBI:35341] (716) 
 cholanoid [CHEBI:36078] (45) 
 bile acid conjugate [CHEBI:36249] (12) 
 bile acid taurine conjugate [CHEBI:23219] (7) 
 taurochenodeoxycholate [CHEBI:9407] (1)
 steroid acid anion [CHEBI:50160] (34) 
 taurochenodeoxycholate [CHEBI:9407] (1)
 organic ion [CHEBI:25699] (3577) 
 organic anion [CHEBI:25696] (3155) 
 steroid acid anion [CHEBI:50160] (34) 
 taurochenodeoxycholate [CHEBI:9407] (1)
 organic molecule [CHEBI:72695] (11399) 
 organic cyclic compound [CHEBI:33832] (7633) 
 organic polycyclic compound [CHEBI:51958] (1654) 
 steroid [CHEBI:35341] (716) 
 cholanoid [CHEBI:36078] (45) 
 bile acid conjugate [CHEBI:36249] (12) 
 bile acid taurine conjugate [CHEBI:23219] (7) 
 taurochenodeoxycholate [CHEBI:9407] (1)
 steroid acid anion [CHEBI:50160] (34) 
 taurochenodeoxycholate [CHEBI:9407] (1)
 polyatomic entity [CHEBI:36357] (18777) 
 molecule [CHEBI:25367] (11520) 
 cyclic compound [CHEBI:33595] (7817) 
 polycyclic compound [CHEBI:33635] (4078) 
 organic polycyclic compound [CHEBI:51958] (1654) 
 steroid [CHEBI:35341] (716) 
 cholanoid [CHEBI:36078] (45) 
 bile acid conjugate [CHEBI:36249] (12) 
 bile acid taurine conjugate [CHEBI:23219] (7) 
 taurochenodeoxycholate [CHEBI:9407] (1)
 steroid acid anion [CHEBI:50160] (34) 
 taurochenodeoxycholate [CHEBI:9407] (1)
 organic cyclic compound [CHEBI:33832] (7633) 
 organic polycyclic compound [CHEBI:51958] (1654) 
 steroid [CHEBI:35341] (716) 
 cholanoid [CHEBI:36078] (45) 
 bile acid conjugate [CHEBI:36249] (12) 
 bile acid taurine conjugate [CHEBI:23219] (7) 
 taurochenodeoxycholate [CHEBI:9407] (1)
 steroid acid anion [CHEBI:50160] (34) 
 taurochenodeoxycholate [CHEBI:9407] (1)
 organic molecule [CHEBI:72695] (11399) 
 organic cyclic compound [CHEBI:33832] (7633) 
 organic polycyclic compound [CHEBI:51958] (1654) 
 steroid [CHEBI:35341] (716) 
 cholanoid [CHEBI:36078] (45) 
 bile acid conjugate [CHEBI:36249] (12) 
 bile acid taurine conjugate [CHEBI:23219] (7) 
 taurochenodeoxycholate [CHEBI:9407] (1)
 steroid acid anion [CHEBI:50160] (34) 
 taurochenodeoxycholate [CHEBI:9407] (1)
ChEBI Compound Accession Identifier  [CHEBI:9407]
ChEBI Compound Description  "The conjugate base of taurochenodeoxycholic acid arising from deprotonation of the sulfonate OH group; major species at pH 7.3."
ChEBI Compound Identification Number  9407
ChEBI InChI Value  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)/p-1/t16-,17+,18-,19-,20+,21+,22-,24+,25+,26-/m1/s1
ChEBI InChIKey Value  BHTRKEVKTKCXOH-BJLOMENOSA-M
ChEBI Compound Name  taurochenodeoxycholate
ChEBI SMILES Value  [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
ChEBI Substance ID  14718481
ChEBI URL  ChEBI:9407
ChemSpider ID  7827825
Ontomatica Chemical Accession Key (OnChAKey)  BHTRKEVKTKCXOH_BJLOMENOSA_M_000_000000
PubChem Compound ID  9548902