Butirosin b

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Butirosin b N-Dealkylation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

[NH3+]CCC(O)C(=O)NC1CC([NH3+])C(OC2OC(CO)C(O)C(O)C2[NH3+])C(OC2OC(CO)C(O)C2O)C1O stable oxygenation prediction

[NH3+]CCC(O)C(=O)NC1CC([NH3+])C(OC2OC(CO)C(O)C(O)C2[NH3+])C(OC2OC(CO)C(O)C2O)C1O unstable oxygenation prediction

[NH3+]CCC(O)C(=O)NC1CC([NH3+])C(OC2OC(CO)C(O)C(O)C2[NH3+])C(OC2OC(CO)C(O)C2O)C1O dehydrogenation prediction

[NH3+]CCC(O)C(=O)NC1CC([NH3+])C(OC2OC(CO)C(O)C(O)C2[NH3+])C(OC2OC(CO)C(O)C2O)C1O reduction prediction

[NH3+]CCC(O)C(=O)NC1CC([NH3+])C(OC2OC(CO)C(O)C(O)C2[NH3+])C(OC2OC(CO)C(O)C2O)C1O hydrolysis prediction

Generation 2

Select a metabolite to form the next generation.

Showing 5 of 160 metabolites