Substrate
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Generation 1
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Generation 2
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Generation 3
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
Show metabolites
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
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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
Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(CC(C(N)=O)[S+]([O-])C(=O)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 3
Show metabolites
C=C1C(=O)C(C)=C2CCC(C)(COc3ccc(CC(C(N)=O)[S+]([O-])C(=O)O)cc3)OC2=C1C
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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 0.81
0.81
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protein
Probability 0.64
0.64
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dna
Probability 0.33
0.33
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cyanide
Probability 0.00
0.00
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