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)C12OC1(C)C=CC=C2CC
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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
CCC1=CC=CC2(C)OC12O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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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
Select a metabolite to form the next generation.
hydrogenation
Probability 0.22
0.22
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hydrogenation
Probability 0.18
0.18
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hydroxylation
Probability 0.11
0.11
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dealkylation
Probability 0.10
0.10
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Tennesine hydride
dealkylation
Probability 0.10
0.10
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Formaldehyde
Showing 5 of 38 metabolites
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