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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H45NO6S
Molecular Weight 499.704
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TAUROCHENODEOXYCHOLIC ACID

SMILES

[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)NCCS(O)(=O)=O

InChI

InChIKey=BHTRKEVKTKCXOH-BJLOMENOSA-N
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

HIDE SMILES / InChI

Molecular Formula C26H45NO6S
Molecular Weight 499.704
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 17:12:04 UTC 2023
Edited
by admin
on Thu Jul 06 17:12:04 UTC 2023
Record UNII
651KU15938
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TAUROCHENODEOXYCHOLIC ACID
Common Name English
12-DESOXYCHOLYLTAURINE
Common Name English
3.ALPHA.,7.ALPHA.-DIHYDROXY-N-(2-SULFOETHYL)-5.BETA.-CHOLAN-24-AMIDE
Systematic Name English
TAUROCHENODESOXYCHOLIC ACID
Common Name English
CHENODEOXYCHOLYLTAURINE
Common Name English
Code System Code Type Description
PUBCHEM
387316
Created by admin on Thu Jul 06 17:12:04 UTC 2023 , Edited by admin on Thu Jul 06 17:12:04 UTC 2023
PRIMARY
DRUG BANK
DB08833
Created by admin on Thu Jul 06 17:12:04 UTC 2023 , Edited by admin on Thu Jul 06 17:12:04 UTC 2023
PRIMARY
WIKIPEDIA
TAUROCHENODEOXYCHOLIC ACID
Created by admin on Thu Jul 06 17:12:04 UTC 2023 , Edited by admin on Thu Jul 06 17:12:04 UTC 2023
PRIMARY Taurochenodeoxycholic acid is a bile acid formed in the liver of most species, including humans, by conjugation of chenodeoxycholic acid with taurine. It is secreted into bile and then into intestine. It is usually ionized at physiologic pH, although it can be crystallized as the sodium salt. It acts as detergent to solubilize fats in the small intestine and is itself absorbed by active transport in the terminal ileum. It is used as a cholagogue and choleretic.
EPA CompTox
DTXSID101020121
Created by admin on Thu Jul 06 17:12:04 UTC 2023 , Edited by admin on Thu Jul 06 17:12:04 UTC 2023
PRIMARY
CAS
516-35-8
Created by admin on Thu Jul 06 17:12:04 UTC 2023 , Edited by admin on Thu Jul 06 17:12:04 UTC 2023
PRIMARY
CHEBI
16525
Created by admin on Thu Jul 06 17:12:04 UTC 2023 , Edited by admin on Thu Jul 06 17:12:04 UTC 2023
PRIMARY
FDA UNII
651KU15938
Created by admin on Thu Jul 06 17:12:04 UTC 2023 , Edited by admin on Thu Jul 06 17:12:04 UTC 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY