Sulfolithocholylglycine

Molecular Formula: C₂₆H₄₂NO₇S^-

InChI: InChI=1/C26H43NO7S/c1-16(4-9-23(28)27-15-24(29)30)20-7-8-21-19-6-5-17-14-18(34-35(31,32)33)10-12-25(17,2)22(19)11-13-26(20,21)3/h16-22H,4-15H2,1-3H3,(H,27,28)(H,29,30)(H,31,32,33)/p-1/t16-,17-,18-,19+,20-,21+,22+,25+,26-/m1/s1/fC26H42NO7S/h27,29H/q-1

InChIKey: InChIKey=FHXBAFXQVZOILS-BCUZFUKYDS
SMILES: CC(CCC(=O)NCC(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OS(=O)(=O)[O-])C)C

Names:
    C11301
    Glycolithocholate 3-sulfate
    Sulfoglycolithocholate
    Sulfolithocholylglycine
    (3R,5R,8S,9S,10S,13R,14S,17R)-17-[(2R)-4-(carboxymethylcarbamoyl)butan-2-yl]-10,13-dimethyl-3-sulfonatooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
    15324-64-8

Registries:
    PubChem CID 443113
    PubChem ID 13476