Substrate
/
Generation 1
XenoSite
Paracetamol
CC(=O)Nc1ccc(O)cc1
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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P-benzoquinone imine
N=C1C=CC(=O)C=C1
CHEBI
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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.
hydrogenation
Probability 0.45
0.45
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hydrogenation
Probability 0.33
0.33
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hydrogenation
Probability 0.24
0.24
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epoxidation
Probability 0.09
0.09
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nitrogen oxidation
Probability 0.06
0.06
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Showing 5 of 19 metabolites
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