CAS 516-90-5 appears in our catalog under these names: Taurolithocholic Acid, Taurolithocholic Acid MaxSpec® Standard, Taurolithocholic acid 95%, 2-((R)-4-((3R,5R,8R,9S,10S,13R,14S,17R)-3-Hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonic acid, 95%, 95%, Taurolithocholic acid, 99.7%. Offered by: Chemat Brand, TargetMol, GLPBio, Biosynth, Ambeed. Available pack sizes: on request, 100ug, 100μg, 1mg, 5mg, 10mg, 25mg, 50mg.
Taurolithocholic acid is the bile acid taurine conjugate of lithocholic acid. It has a role as a human metabolite. It is a bile acid taurine conjugate and a monocarboxylic acid amide. It is functionally related to a lithocholic acid. It is a conjugate acid of a taurolithocholate.
Source: ChEBI
| Molecular formula | C26H45NO5S |
|---|---|
| Molecular weight | 483.7 g/mol |
| IUPAC name | 2-[[(4R)-4-[(3R,5R,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]pentanoyl]amino]ethanesulfonic acid |
| InChIKey | QBYUNVOYXHFVKC-GBURMNQMSA-N |
| SMILES | C[C@H](CCC(=O)NCCS(=O)(=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 |
Computed by PubChem (NCBI)