Archaetidylethanolamine

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Archaetidylethanolamine N-Dealkylation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOCC(COP(=O)([O-])OCC=O)OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C stable oxygenation prediction

CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOCC(COP(=O)([O-])OCC=O)OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C unstable oxygenation prediction

CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOCC(COP(=O)([O-])OCC=O)OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C dehydrogenation prediction

CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOCC(COP(=O)([O-])OCC=O)OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C reduction prediction

CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOCC(COP(=O)([O-])OCC=O)OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C hydrolysis prediction

Generation 2

dephosphorylation · 0.09

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOCC(CO[PH](=O)O)OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C