CAS 434-13-9

Lithocholic acid

Description:

Lithocholic acid is a bile acid that plays a crucial role in the digestion and absorption of fats and fat-soluble vitamins in the intestine. It is a steroid acid, characterized by a four-ring structure typical of steroids, with a hydroxyl group at the C-3 position and a side chain that contributes to its amphipathic nature, allowing it to interact with both lipids and water. Lithocholic acid is derived from the metabolism of cholesterol and is primarily produced in the liver. It is known for its role in emulsifying fats, facilitating their breakdown by digestive enzymes. Additionally, lithocholic acid has been studied for its potential effects on various physiological processes, including its influence on gut microbiota and its implications in certain diseases, such as colorectal cancer. However, excessive levels of lithocholic acid can be toxic and may lead to liver damage or other health issues. Its CAS number, 434-13-9, is used for identification in chemical databases and regulatory contexts.

Formula:C₂₄H₄₀O₃

InChI:InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17-,18+,19-,20+,21+,23+,24-/m1/s1

InChI key:InChIKey=SMEROWZSTRWXGI-HVATVPOCSA-N

SMILES:C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@](CC3)(C[C@H](O)CC4)[H])(CC1)[H])[H])(CC[C@@]2([C@@H](CCC(O)=O)C)[H])[H]

Synonyms: