CAS 67030-62-0
:Taurocholic acid 3-sulfate
Description:
Taurocholic acid 3-sulfate is a bile acid derivative that plays a significant role in the digestion and absorption of fats in the intestine. It is a sulfated form of taurocholic acid, which is itself a conjugated bile acid formed from cholic acid and the amino acid taurine. This compound is characterized by its amphipathic nature, possessing both hydrophilic and hydrophobic properties, which allows it to effectively emulsify fats and facilitate their absorption. The sulfate group enhances its solubility in aqueous environments, making it more effective in the gastrointestinal tract. Taurocholic acid 3-sulfate is involved in various biological processes, including the regulation of cholesterol levels and the modulation of gut microbiota. It is also studied for its potential implications in metabolic disorders and liver function. As a chemical entity, it is typically analyzed using techniques such as mass spectrometry and nuclear magnetic resonance (NMR) spectroscopy to determine its structure and purity.
Formula:C26H45NO10S2
InChI:InChI=1S/C26H45NO10S2/c1-15(4-7-23(30)27-10-11-38(31,32)33)18-5-6-19-24-20(14-22(29)26(18,19)3)25(2)9-8-17(37-39(34,35)36)12-16(25)13-21(24)28/h15-22,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32,33)(H,34,35,36)/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1
InChI key:InChIKey=LKTXOQJJFLAZRW-HZAMXZRMSA-N
SMILES:O[C@H]1[C@]2([C@]3([C@@](C)([C@@]([C@@H](CCC(NCCS(=O)(=O)O)=O)C)(CC3)[H])[C@@H](O)C[C@@]2([C@]4(C)[C@](C1)(C[C@H](OS(=O)(=O)O)CC4)[H])[H])[H])[H]
Synonyms:- 2-[[(3a,5b,7a,12a)-7,12-Dihydroxy-24-oxo-3-(sulfooxy)cholan-24-yl]amino]ethanesulfonic acid
- 3-Sulfocholyltaurine
- 67030-62-0
- Cholane, ethanesulfonic acid deriv.
- Ethanesulfonic acid, 2-[[(3α,5β,7α,12α)-7,12-dihydroxy-24-oxo-3-(sulfooxy)cholan-24-yl]amino]-
- Taurocholic acid 3-sulfate
- Taurocholic acid 3α-sulfate
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