Alpha-ochratoxin

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Alpha-ochratoxin stable oxygenation prediction

Alpha-ochratoxin unstable oxygenation prediction

Alpha-ochratoxin dehydrogenation prediction

Alpha-ochratoxin reduction prediction

Alpha-ochratoxin hydrolysis prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CC1OC(=O)c2c(O)c(C(=O)O)cc(Cl)c2C1O Epoxidation prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CC1OC(=O)C2=C(C(Cl)=CC3(C(=O)O)OC23O)C1O gsh prediction

CC1OC(=O)C2=C(C(Cl)=CC3(C(=O)O)OC23O)C1O protein prediction

CC1OC(=O)C2=C(C(Cl)=CC3(C(=O)O)OC23O)C1O cyanide prediction

CC1OC(=O)C2=C(C(Cl)=CC3(C(=O)O)OC23O)C1O dna prediction

Generation 3

Select a metabolite to form the next generation.

Showing 5 of 12 metabolites