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
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Generation 1
Show metabolites
CCOCN(C(=O)CCl)C1=C(CC)C=CC2OC12C
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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
Show metabolites
CCC1=C(NC(=O)CCl)C2(C)OC2C=C1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 3
Show metabolites
CCC1=C(N)C2(C)OC2C=C1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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gsh
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protein
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cyanide
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dna
Generation 4
Select a metabolite to form the next generation.
glutathionation
Probability 0.55
0.55
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dna
Probability 0.31
0.31
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protein
Probability 0.22
0.22
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dna
Probability 0.21
0.21
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glutathionation
Probability 0.12
0.12
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Showing 5 of 8 metabolites
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