Ursodeoxycholic acid

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Ursodeoxycholic acid stable oxygenation prediction

Ursodeoxycholic acid unstable oxygenation prediction

Ursodeoxycholic acid dehydrogenation prediction

Ursodeoxycholic acid reduction prediction

Ursodeoxycholic acid hydrolysis prediction

Generation 1

2b,3a,7a-trihydroxy-5b-cholanoic acid

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

2b,3a,7a-trihydroxy-5b-cholanoic acid UGT Conjugation prediction

Generation 2

Select a metabolite to form the next generation.