Substrate
/
Generation 1
/
Generation 2
XenoSite
Tolfenamic acid
Cc1c(Cl)cccc1Nc1ccccc1C(=O)O
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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Salicylic acid
O=C(O)c1ccccc1O
CHEBI
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Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 2
Show metabolites
O=C(O)C1=C(O)C2OC2C=C1
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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 3
Select a metabolite to form the next generation.
hydrogenation
Probability 0.21
0.21
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hydrogenation
Probability 0.10
0.10
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dealkylation
Probability 0.04
0.04
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dealkylation
Probability 0.04
0.04
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epoxidation
Probability 0.04
0.04
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Showing 5 of 37 metabolites
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