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
CC1=C(C)C2(O)OC2(C)C2=C1OC(C)(COc1ccc(CC(SC(=O)O)C(N)=O)cc1)CC2
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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.
sulfur oxidation
Probability 0.13
0.13
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sulfur oxidation
Probability 0.13
0.13
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sulfur oxidation
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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Showing 5 of 134 metabolites
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