Substrate
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Generation 1
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Generation 2
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Generation 3
XenoSite
Diclofenac
O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl
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
Show metabolites
Metadichlorobenzene
Clc1cccc(Cl)c1
CHEBI
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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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
3,5-dichlorophenol
Oc1cc(Cl)cc(Cl)c1
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 3
Show metabolites
OC12C=C(Cl)C=C(Cl)C1O2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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gsh
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protein
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cyanide
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dna
Generation 4
Select a metabolite to form the next generation.
glutathionation
Probability 0.72
0.72
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glutathionation
Probability 0.69
0.69
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dna
Probability 0.67
0.67
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dna
Probability 0.62
0.62
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dna
Probability 0.50
0.50
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Showing 5 of 16 metabolites
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