Substrate
/
Generation 1
XenoSite
Atrazine
CCNc1nc(Cl)nc(NC(C)C)n1
CHEBI
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 1
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Deethylatrazine
CC(C)Nc1nc(N)nc(Cl)n1
CHEBI
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Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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stable oxygenation
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unstable oxygenation
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dehydrogenation
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reduction
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hydrolysis
Generation 2
Select a metabolite to form the next generation.
dealkylation
Probability 0.45
0.45
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Acetone
dealkylation
Probability 0.45
0.45
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Isopropanol
dealkylation
Probability 0.45
0.45
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Deisopropyldeethylatrazine
hydroxylation
Probability 0.36
0.36
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hydroxylation
Probability 0.24
0.24
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Showing 5 of 55 metabolites
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