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
About this model
Generation 1
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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
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 2
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CCC1=C(N(CO)C(=O)CCl)C2(C)OC2C=C1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
Select a metabolite to form the next generation.
dealkylation
Probability 0.99
0.99
Formaldehyde
dealkylation
Probability 0.99
0.99
dealkylation
Probability 0.99
0.99
Carbonic acid
dealkylation
Probability 0.99
0.99
Formic acid
dealkylation
Probability 0.99
0.99
Methandiol
Showing 5 of 9 metabolites
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