Substrate
/
Generation 1
/
Generation 2
XenoSite
Monoacetyldapsone
CC(=O)Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1
CHEBI
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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Generation 1
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CC(=O)Nc1ccc(S(=O)(=O)C23C=CC(N)=CC2O3)cc1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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Generation 2
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NC1=CC2OC2(S(=O)(=O)c2ccc(N)cc2)C=C1
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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.
nitrogen oxidation
Probability 0.07
0.07
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nitrogen oxidation
Probability 0.07
0.07
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dealkylation
Probability 0.03
0.03
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((sup 13)n)ammonia
dealkylation
Probability 0.03
0.03
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