TLC-S

Molecular Formula: C₂₆H₄₅NO₈S₂

InChI: InChI=1/C26H45NO8S2/c1-17(4-9-24(28)27-14-15-36(29,30)31)21-7-8-22-20-6-5-18-16-19(35-37(32,33)34)10-12-25(18,2)23(20)11-13-26(21,22)3/h17-23H,4-16H2,1-3H3,(H,27,28)(H,29,30,31)(H,32,33,34)/t17-,18-,19-,20u,21-,22u,23u,25+,26-/m1/s1/f/h27,29,32H

InChIKey: InChIKey=HSNPMXROZIQAQD-OOSABKOADU
SMILES: CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OS(=O)(=O)O)C)C

Names:
    Ethanesulfonic acid, 2-(((3alpha,5beta)-24-oxo-3-(sulfooxy)cholan-24-yl)amino)-
    Slct-3-sulfate
    Taurolithocholate 3-sulfate
    Taurolithocholic acid 3-sulfate
    TLC-S
    (3alpha-Sulfato-5beta-cholan-24-oyl)-2'-aminoethanesulfonate
    15324-65-9
    2-[[(4R)-4-[(3R,5R,10S,13R,17R)-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
    3alpha-Sulfatolithocholyltaurine

Registries:
    PubChem CID 72205
    PubChem ID 214472