Chemical Component Summary

NameTAUROCHOLIC ACID
Identifiers2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-3,7,12-tris(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid
FormulaC26 H45 N O7 S
Molecular Weight515.703
TypeNON-POLYMER
Isomeric SMILESC[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C
InChIInChI=1S/C26H45NO7S/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34)/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1
InChIKeyWBWWGRHZICKQGZ-HZAMXZRMSA-N

Chemical Details

Formal Charge0
Atom Count80
Chiral Atom Count11
Bond Count83
Aromatic Bond Count0

Drug Info: DrugBank

DrugBank IDDB04348 
NameTaurocholic acid
Groups
  • experimental
  • approved
DescriptionThe product of conjugation of cholic acid with taurine. Its sodium salt is the chief ingredient of the bile of carnivorous animals. It acts as a detergent to solubilize fats for absorption and is itself absorbed. It is used as a cholagogue and cholerectic.
Synonyms
  • Sodium taurocholate
  • Taurocholic acid
Brand Names
  • Aid-lax Tab
  • Herbalax Forte No 70 Tab
  • Lax-BO Tab
  • Acidobyl
  • Bicholate Lilas
Categories
  • Acids
  • Acids, Noncarboxylic
  • Alkanes
  • Alkanesulfonic Acids
  • BCRP/ABCG2 Inhibitors
CAS number81-24-3

Drug Targets

NameTarget SequencePharmacological ActionActions
Bile salt-activated lipaseMGRLQLVVLGLTCCWAVASAAKLGAVYTEGGFVEGVNKKLGLLGDSVDIF...unknown
Bile acid receptorMVMQFQGLENPIQISPHCSCTPSGFFMEMMSMKPAKGVLTEQVAGPLGQN...unknown
GastrotropinMAFTGKFEMESEKNYDEFMKLLGISSDVIEKARNFKIVTEVQQDGQDFTW...unknownligand
Bile salt export pumpMSDSVILRSIKKFGEENDGFESDKSYNNDKKSRLQDEKKGDGVRVGFFQL...unknownsubstrate,inducer
Multidrug resistance-associated protein 1MALRGFCSADGSDPLWDWNVTWNTSNPDFTKCFQNTVLVWVPCFYLWACF...unknowninhibitor,inducer
View More
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 6675
ChEMBL CHEMBL224867
ChEBI CHEBI:28865