Substrate
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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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<em>n</em>-(2-ethyl-6-methylphenyl)-2-chloroacetamide
CCc1cccc(C)c1NC(=O)CCl
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 2
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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 3
Select a metabolite to form the next generation.
hydrogenation
Probability 0.51
0.51
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Glycol chlorohydrin
hydroxylation
Probability 0.14
0.14
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hydroxylation
Probability 0.02
0.02
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Chloroacetic acid
dealkylation
Probability 0.02
0.02
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Chloromethane
dealkylation
Probability 0.02
0.02
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<small><sup>13</small></sup>co2
Showing 5 of 16 metabolites
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