HIT ID: HIT218832948

Cas No:

分子式: C26H44NNaO7S

分子量: 537.69

常用名: sodium taurohyocholate anion, Taurohyocholic Acid sodium

氢键受体数 (HBA):

氢键供体数 (HBD):

LogP:

IUPAC: sodium 2-[(4R)-4-[(1R,3aS,3bS,4S,5R,5aR,7R,9aR,9bS,11aR)-4,5,7-trihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanamido]ethane-1-sulfonate

SMILES: [Na+].[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](O)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)NCCS([O-])(=O)=O

InChI key: NYXROOLWUZIWRB-YOAOXILXSA-M