Adpribose

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Adpribose Quinonation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

N=C1N=CN=C2C1=NC(=O)N2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC(O)C(O)C2O)C(O)C1O stable oxygenation prediction

N=C1N=CN=C2C1=NC(=O)N2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC(O)C(O)C2O)C(O)C1O unstable oxygenation prediction

N=C1N=CN=C2C1=NC(=O)N2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC(O)C(O)C2O)C(O)C1O dehydrogenation prediction

N=C1N=CN=C2C1=NC(=O)N2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC(O)C(O)C2O)C(O)C1O reduction prediction

N=C1N=CN=C2C1=NC(=O)N2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC(O)C(O)C2O)C(O)C1O hydrolysis prediction

Generation 2

dephosphorylation · 0.30

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

O=[PH](O)OCC1OC(O)C(O)C1O