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
About this model
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Generation 2
Show metabolites
CC1=C2OC(C)(COc3ccc(CC(SC(=O)O)C(N)=O)cc3)CCC2=C(C)C2(O)OC12C
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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
NC(=O)C(C=C1C=CC(=O)C=C1)SC(=O)O
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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.
protein
Probability 0.52
0.52
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dna
Probability 0.43
0.43
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glutathionation
Probability 0.28
0.28
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cyanide
Probability 0.00
0.00
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