Substrate
/
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(C)C=CC2OC12CC
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 2
Show metabolites
CCOCO
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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 3
Show metabolites
(11c)acetic acid
CC(=O)O
CHEBI
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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 4
Select a metabolite to form the next generation.
hydroxylation
Probability 0.11
0.11
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Glycolic acid
hydrolysis
Probability 0.03
0.03
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(11c)acetic acid
hydrolysis
Probability 0.03
0.03
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An oxidized polyvinyl alcohol
hydrolysis
Probability 0.03
0.03
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15o
dehydration
Probability 0.01
0.01
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A polyvinyl alcohol
Showing 5 of 15 metabolites
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