For research use only. Not for therapeutic Use.
Isoallolithocholic acid（Cat No.:I045030）is a secondary bile acid and a structural isomer of lithocholic acid, formed through microbial metabolism of primary bile acids in the gut. It features a modified hydroxyl group orientation, influencing its physicochemical properties and biological activity. Isoallolithocholic acid plays a role in host-microbiome interactions, with emerging interest in its effects on gut health, bile acid signaling, and metabolic regulation. It is studied for its involvement in liver function, lipid metabolism, and potential antimicrobial activity. Researchers also explore its influence on nuclear receptors such as FXR and TGR5 in bile acid pathways.
| CAS Number | 2276-93-9 |
| Synonyms | (4R)-4-[(3S,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid |
| Molecular Formula | C24H40O3 |
| Purity | ≥95% |
| IUPAC Name | (4R)-4-[(3S,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid |
| 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 |
| InChIKey | SMEROWZSTRWXGI-XBESLWPFSA-N |
| SMILES | C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C |
| Chemistry Calculators | Dilution Calculator In vivo Formulation Calculator Molarity Calculator Molecular Weight Calculator Reconstitution Calculator |
