Products 67030-59-5

CAS 67030-59-5 appears in our catalog under these names: Taurochenodeoxycholate–3–sulfate, Taurochenodeoxycholate-3-sulfate, Taurochenodeoxycholate-3-sulfate, 98.0%. Offered by: GLPBio, Biosynth, MedChemExpress, Chemat. Available pack sizes: 5mg, 1mg, 10mg, 25mg, 50mg, 10 mg, 100 mg, 10mM/1mL.

Structural formula: {0} (CAS {1})

Taurochenodeoxycholic acid 3-sulfate is a bile acid taurine conjugate. It is a conjugate acid of a taurochenodeoxycholate 3-sulfate.

Source: ChEBI

Identity
Molecular formulaC26H45NO9S2
Molecular weight579.8 g/mol
IUPAC name2-[[(4R)-4-[(3R,5R,7R,8R,9S,10S,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3-sulfooxy-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
InChIKeyGLVWZDCWCRWVFM-BJLOMENOSA-N
SMILESC[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)OS(=O)(=O)O)C)O)C

Computed by PubChem (NCBI)