Alpha-linolenoyl-coa

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Alpha-linolenoyl-coa Epoxidation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CCC1OC1CC=CCC=CCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O N-Dealkylation prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CCC1OC1CC=CCC=CCCCCCCCC(=O)SCCNC(=O)CC(=O)O stable oxygenation prediction

CCC1OC1CC=CCC=CCCCCCCCC(=O)SCCNC(=O)CC(=O)O unstable oxygenation prediction

CCC1OC1CC=CCC=CCCCCCCCC(=O)SCCNC(=O)CC(=O)O dehydrogenation prediction

CCC1OC1CC=CCC=CCCCCCCCC(=O)SCCNC(=O)CC(=O)O reduction prediction

CCC1OC1CC=CCC=CCCCCCCCC(=O)SCCNC(=O)CC(=O)O hydrolysis prediction

Generation 3

(9z,12z)-14-(3-ethyloxiran-2-yl)tetradeca-9,12-dienoate

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

(9z,12z)-14-(3-ethyloxiran-2-yl)tetradeca-9,12-dienoate UGT Conjugation prediction

Generation 4

Select a metabolite to form the next generation.

glucuronidation
1.00