Substrate
Generation 1
Generation 2
Generation 3
Generation 4

Adenylylselenate

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Adenylylselenate Epoxidation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Nc1ncnc2c1N1OC1N2C1OC(COP(=O)(O)O[Se](=O)(=O)O)C(O)C1O stable oxygenation prediction

Nc1ncnc2c1N1OC1N2C1OC(COP(=O)(O)O[Se](=O)(=O)O)C(O)C1O unstable oxygenation prediction

Nc1ncnc2c1N1OC1N2C1OC(COP(=O)(O)O[Se](=O)(=O)O)C(O)C1O dehydrogenation prediction

Nc1ncnc2c1N1OC1N2C1OC(COP(=O)(O)O[Se](=O)(=O)O)C(O)C1O reduction prediction

Nc1ncnc2c1N1OC1N2C1OC(COP(=O)(O)O[Se](=O)(=O)O)C(O)C1O hydrolysis prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Nc1ncnc2c1N1OC1N2C1OC(CO[PH](=O)O)C(O)C1O Quinonation prediction

Generation 3

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

N=C1N=CN=C2C1=[N+]1OC1N2C1OC(CO[PH](=O)O)C(O)C1O N-Dealkylation prediction

Generation 4

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

N=c1ncnc2n(C3OC(CO[PH](=O)O)C(O)C3O)c(=O)onc1-2 gsh prediction

N=c1ncnc2n(C3OC(CO[PH](=O)O)C(O)C3O)c(=O)onc1-2 protein prediction

N=c1ncnc2n(C3OC(CO[PH](=O)O)C(O)C3O)c(=O)onc1-2 cyanide prediction

N=c1ncnc2n(C3OC(CO[PH](=O)O)C(O)C3O)c(=O)onc1-2 dna prediction