Substrate
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Generation 1
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Generation 2
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Generation 3
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
About this model
Generation 1
Show metabolites
C=C1C=CC=C(CC)C1=NC(=O)CCl
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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C=C1C=CC2OC2(CC)C1=NC(=O)CCl
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 3
Show metabolites
C=C1C=CC2OC2(CC)C1NC(=O)CCl
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
gsh
protein
cyanide
dna
Generation 4
Select a metabolite to form the next generation.
glutathionation
Probability 0.93
0.93
glutathionation
Probability 0.81
0.81
protein
Probability 0.54
0.54
dna
Probability 0.41
0.41
glutathionation
Probability 0.39
0.39
Showing 5 of 16 metabolites
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