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
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Generation 1
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C=C1C(=O)C(C)=C(C)C2=C1CCC(C)(COc1ccc(CC3SC(=O)NC3=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
C=C1C(=O)C(C)=C(C)C2=C1CCC(C)(COc1ccc(CC(SC(N)=O)C(=O)O)cc1)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.
hydrogenation
Probability 0.23
0.23
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hydrolysis
Probability 0.15
0.15
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hydrolysis
Probability 0.15
0.15
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hydrolysis
Probability 0.15
0.15
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((sup 13)n)ammonia
sulfur oxidation
Probability 0.10
0.10
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Showing 5 of 133 metabolites
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