Name: Taurohyocholic Acid sodium
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HIT ID:HIT218832948
Cas No:
Common Name:Taurohyocholic Acid sodium
alias:THCA, Tauro-γ-muricholic Acid, Taurohyocholate, Taurine Hyocholate
alias:THCA, Tauro-γ-muricholic Acid, Taurohyocholate, Taurine Hyocholate
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
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
InChIKey:NYXROOLWUZIWRB-YOAOXILXSA-M

Molecular Formula:C26H44NNaO7S
Molecular Weight:537.69
Hydrogen Bond Donor (HBD):
Hydrogen Bond Acceptor (HBA):
LogP:
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
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

Taurohyocholic acid (THCA), a taurine-conjugated form of porcine-specific primary bile acid hyocholic acid, inhibits cholesterol crystal precipitation by stabilizing cholesterol in the liquid-crystalline phase and prevents cholestasis and cellular necrosis in isolated rat livers induced by taurolithocholic acid. Additionally, THCA levels rise in the urine of patients with hepatitis B-induced cirrhosis.

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