Substrate
/
Generation 1
/
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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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
Generation 2
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CCOCO
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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
Select a metabolite to form the next generation.
dealkylation
Probability 0.53
0.53
(11c)acetic acid
dealkylation
Probability 0.53
0.53
An oxidized polyvinyl alcohol
dealkylation
Probability 0.53
0.53
A polyvinyl alcohol
dealkylation
Probability 0.53
0.53
Methandiol
dealkylation
Probability 0.33
0.33
Formaldehyde
Showing 5 of 21 metabolites
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