Substrate
Generation 1
Generation 2

Adomet

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Adomet Epoxidation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

C[S+](CCC(N)C(=O)O)CC1OC(N2C=NC34OC23N=CN=C4N)C(O)C1O stable oxygenation prediction

C[S+](CCC(N)C(=O)O)CC1OC(N2C=NC34OC23N=CN=C4N)C(O)C1O unstable oxygenation prediction

C[S+](CCC(N)C(=O)O)CC1OC(N2C=NC34OC23N=CN=C4N)C(O)C1O dehydrogenation prediction

C[S+](CCC(N)C(=O)O)CC1OC(N2C=NC34OC23N=CN=C4N)C(O)C1O reduction prediction

C[S+](CCC(N)C(=O)O)CC1OC(N2C=NC34OC23N=CN=C4N)C(O)C1O hydrolysis prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

C[S+](CCC(N)C(=O)O)CC1OC(O)C(O)C1O gsh prediction

C[S+](CCC(N)C(=O)O)CC1OC(O)C(O)C1O protein prediction

C[S+](CCC(N)C(=O)O)CC1OC(O)C(O)C1O cyanide prediction

C[S+](CCC(N)C(=O)O)CC1OC(O)C(O)C1O dna prediction