Substrate
/
Generation 1
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Generation 2
XenoSite
Acetochlor
CCOCN(C(=O)CCl)c1c(C)cccc1CC
CHEBI
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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Generation 1
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Chloroacetaldehyde
O=CCCl
CHEBI
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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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
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Chloroethane
CCCl
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 3
Select a metabolite to form the next generation.
hydroxylation
Probability 0.25
0.25
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hydroxylation
Probability 0.18
0.18
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Glycol chlorohydrin
dealkylation
Probability 0.01
0.01
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Formaldehyde
dealkylation
Probability 0.01
0.01
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Chloromethane
dealkylation
Probability 0.01
0.01
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Methanol
Showing 5 of 12 metabolites
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