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

CC(O)Cc1c(Cl)cc(C(=O)O)c(O)c1C(=O)O gsh prediction

CC(O)Cc1c(Cl)cc(C(=O)O)c(O)c1C(=O)O protein prediction

CC(O)Cc1c(Cl)cc(C(=O)O)c(O)c1C(=O)O cyanide prediction

CC(O)Cc1c(Cl)cc(C(=O)O)c(O)c1C(=O)O dna prediction

Generation 2

glutathionation · 0.05

*C1C(Cl)=C(CC(C)O)C(C(=O)O)=C(O)C1=C(O)O |$GSH;;;;;;;;;;;;;;;;;;$|