Substrate
/
Generation 1
/
Generation 2
XenoSite
Alclofenac
C=CCOc1ccc(CC(=O)O)cc1Cl
CHEBI
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 1
Show metabolites
C=CCOC12C=CC(CC(=O)O)=CC1(Cl)O2
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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
Show metabolites
CCCOC12C=CC(CC(=O)O)=CC1(Cl)O2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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gsh
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protein
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cyanide
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dna
Generation 3
Select a metabolite to form the next generation.
glutathionation
Probability 0.31
0.31
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glutathionation
Probability 0.30
0.30
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glutathionation
Probability 0.30
0.30
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dna
Probability 0.29
0.29
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protein
Probability 0.24
0.24
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Showing 5 of 12 metabolites
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