Arsenomycothiol

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Arsenomycothiol N-Dealkylation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CC(=O)NC(CS[As](=O)(O)O)C(N)=O stable oxygenation prediction

CC(=O)NC(CS[As](=O)(O)O)C(N)=O unstable oxygenation prediction

CC(=O)NC(CS[As](=O)(O)O)C(N)=O dehydrogenation prediction

CC(=O)NC(CS[As](=O)(O)O)C(N)=O reduction prediction

CC(=O)NC(CS[As](=O)(O)O)C(N)=O hydrolysis prediction

Generation 2

hydrolysis · 0.32

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CC(=O)NC(CS[As](=O)(O)O)C(=O)O