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Chemical structure of Taurohyocholic Acid

GC45574

Taurohyocholic Acid

Also known as 2-[[(4R)-4-[(3R,5R,6R,7S,8S,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-10,13-dimethyl-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

Taurohyocholic Acid is a taurine-conjugated bile acid derived from hyocholic acid, predominantly found in pig bile

ChemicalCAS32747-07-2MW515.7FormulaC26H45NO7S
CAS number
32747-07-2
Molecular weight
515.7
Formula
C26H45NO7S
Solubility
20mg/mL in ethanol, or DMSO, 30mg/mL in DMF
InChIKey
XSOLDPYUICCHJX-QZEPYOAJSA-N
Catalogue number
GC45574
Brand
GLPBIO
Computed properties PubChem CID 11954195 · XLogP 2.6 · TPSA 153 Ų · H-bond donors 5
XLogP
2.6
TPSA
153 Ų
H-bond donors
5
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
35

SMILES C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H]([C@@H]([C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C

Computed descriptors from PubChem (CID 11954195), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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