Substrate
/
Generation 1
XenoSite
Paracetamol
CC(=O)Nc1ccc(O)cc1
CHEBI
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Description
▾
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 1
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P-aminophenol
Nc1ccc(O)cc1
CHEBI
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Description
▾
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 2
Select a metabolite to form the next generation.
nitrogen oxidation
Probability 0.16
0.16
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nitrogen oxidation
Probability 0.16
0.16
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dehydrogenation
Probability 0.08
0.08
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P-benzoquinone imine
hydroxylation
Probability 0.06
0.06
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3,4-dihydroxyaniline
hydroxylation
Probability 0.06
0.06
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Showing 5 of 27 metabolites
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