Substrate
/
Generation 1
XenoSite
Acetylsulfamethoxazole
CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1
CHEBI
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
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CC(=O)N=C1C=CC(S(=O)(=O)Nc2cc(C)on2)=CC1=O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 2
Select a metabolite to form the next generation.
dehydration
Probability 0.19
0.19
dehydration
Probability 0.19
0.19
15o
hydrogenation
Probability 0.19
0.19
oxygen reduction
Probability 0.19
0.19
hydrogenation
Probability 0.14
0.14
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