MetaADEDB 2.0 @ LMMD
taurohyodeoxycholic acid
(HMXPOCDLAFAFNT-BHYUGXBJSA-N)
Structure
SMILES
O[C@@H]1CC[C@]2([C@@H](C1)[C@@H](O)C[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)NCCS(=O)(=O)O)C)C)C
Molecular Formula:
C26H45NO6S
Molecular Weight:
499.704
Log P:
4.8690
Hydrogen Bond Acceptor:
7
Hydrogen Bond Donor:
4
TPSA:
132.31
CAS Number(s):
2958-04-5
Synonym(s)
1.
taurohyodeoxycholic acid
2.
THDCA
3.
taurohyodeoxycholic acid, (6-beta)-isomer
4.
taurohyodeoxycholic acid, sodium salt
External Link(s)
MeSHC083510
PubChem Compound119046
BindingDB50375591
ChEBI139138
CHEMBLCHEMBL270516
ZINC3927571
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Cholestasis22461449CTD
Powered by :

Page last updated at 2020-05-25 10:01:57 (Asia/Shanghai) | You are visitor No. 120329

Copyright © 2019-2020 Laboratory of Molecular Modeling and Design, Shanghai Key Laboratory of New Drug Design, School of Pharmacy, East China University of Science and Technology. All rights reserved.