Substrate
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Generation 1
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Generation 2
XenoSite
Troglitazone
Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2
CHEBI
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 1
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Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(CC(SC(=O)O)C(N)=O)cc1)O2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 2
Show metabolites
Cc1c(C)c2c(c(C)c1O)CCC(C)(COC13C=CC(CC(SC(=O)O)C(N)=O)=CC1O3)O2
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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 3
Select a metabolite to form the next generation.
dealkylation
Probability 0.13
0.13
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Trolox
dealkylation
Probability 0.13
0.13
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dealkylation
Probability 0.13
0.13
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dealkylation
Probability 0.13
0.13
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sulfur oxidation
Probability 0.13
0.13
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Showing 5 of 152 metabolites
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