Aminohippuric acid

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Aminohippuric acid Quinonation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

NC1=CC=C(C(=O)NCC(=O)O)C(=O)C1=O stable oxygenation prediction

NC1=CC=C(C(=O)NCC(=O)O)C(=O)C1=O unstable oxygenation prediction

NC1=CC=C(C(=O)NCC(=O)O)C(=O)C1=O dehydrogenation prediction

NC1=CC=C(C(=O)NCC(=O)O)C(=O)C1=O reduction prediction

NC1=CC=C(C(=O)NCC(=O)O)C(=O)C1=O hydrolysis prediction

Generation 2

Gly-13c2-15n

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Gly-13c2-15n Epoxidation prediction