Substrate
/
Generation 1
/
Generation 2
XenoSite
Aceclofenac
O=C(O)COC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
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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O=C(O)COC(=O)CC1=CC2OC2C=C1Nc1c(Cl)cccc1Cl
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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O=C(O)COC(=O)CC1=CC2OC2C=C1NC1=C(Cl)C(=O)C=CC1=O
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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.
hydrolysis
Probability 0.71
0.71
hydrolysis
Probability 0.71
0.71
Glycolic acid
hydrolysis
Probability 0.71
0.71
dehydration
Probability 0.25
0.25
15o
dehydration
Probability 0.25
0.25
Showing 5 of 105 metabolites
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