Archaetidylethanolamine

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Archaetidylethanolamine Epoxidation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOC(COCC=C(C)CCC=C(C)CCC=C(C)CCC1OC1(C)C)COP(=O)([O-])OCC[NH3+] stable oxygenation prediction

CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOC(COCC=C(C)CCC=C(C)CCC=C(C)CCC1OC1(C)C)COP(=O)([O-])OCC[NH3+] unstable oxygenation prediction

CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOC(COCC=C(C)CCC=C(C)CCC=C(C)CCC1OC1(C)C)COP(=O)([O-])OCC[NH3+] dehydrogenation prediction

CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOC(COCC=C(C)CCC=C(C)CCC=C(C)CCC1OC1(C)C)COP(=O)([O-])OCC[NH3+] reduction prediction

CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOC(COCC=C(C)CCC=C(C)CCC=C(C)CCC1OC1(C)C)COP(=O)([O-])OCC[NH3+] hydrolysis prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CC(=CC=O)CCC=C(C)CCC=C(C)CCC1OC1(C)C gsh prediction

CC(=CC=O)CCC=C(C)CCC=C(C)CCC1OC1(C)C protein prediction

CC(=CC=O)CCC=C(C)CCC=C(C)CCC1OC1(C)C cyanide prediction

CC(=CC=O)CCC=C(C)CCC=C(C)CCC1OC1(C)C dna prediction

Generation 3

Select a metabolite to form the next generation.

Showing 5 of 12 metabolites