Substrate
/
Generation 1
XenoSite
Atrazine
CCNc1nc(Cl)nc(NC(C)C)n1
CHEBI
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Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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Generation 1
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Deisopropylatrazine
CCNc1nc(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 0.68
0.68
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(11c)acetic acid
dealkylation
Probability 0.68
0.68
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An oxidized polyvinyl alcohol
dealkylation
Probability 0.68
0.68
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A polyvinyl alcohol
dealkylation
Probability 0.68
0.68
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Deisopropyldeethylatrazine
hydroxylation
Probability 0.21
0.21
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Showing 5 of 57 metabolites
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