Taurodeoxycholic Acid

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==Description==
==Description==
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[http://172.141.127.22/raghava/hmrbase/test_extract.php?db=arun&table=nphormonet&id=1185&show=SHOW-3D Show 3-D Structure]
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A bile salt formed in the liver by conjugation of deoxycholate with  taurine, usually as the sodium salt. It is used as a cholagogue and  choleretic, also industrially as a fat emulsifier.
A bile salt formed in the liver by conjugation of deoxycholate with  taurine, usually as the sodium salt. It is used as a cholagogue and  choleretic, also industrially as a fat emulsifier.
==General Properties==
==General Properties==
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Current revision

Contents

[edit] Description

Show 3-D Structure

A bile salt formed in the liver by conjugation of deoxycholate with taurine, usually as the sodium salt. It is used as a cholagogue and choleretic, also industrially as a fat emulsifier.

[edit] General Properties

*Molecular Weight

499.7

*Molecular Formula

C26H45NO6S

*IUPAC NAME

2-[4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoylamino]ethanesulfonic acid

*Canonical Smiles

CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C

*Isomeric Smiles

CC(CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C


[edit] PhysioChemical Properties

*Melting Point


*LogP


*Water Solubility


[edit] External Links

  • [1]Pubchem
  • [2]KEGG Compound
  • [3]Human Metabolome DataBase