Substrate
/
Generation 1
XenoSite
Acetylisatin
CC(=O)N1C(=O)C(=O)c2ccccc21
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)N1C(=O)C(=O)C2=CC=CC3OC231
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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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
Select a metabolite to form the next generation.
dehydration
Probability 0.40
0.40
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dehydration
Probability 0.40
0.40
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15o
hydrogenation
Probability 0.40
0.40
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oxygen reduction
Probability 0.40
0.40
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hydrolysis
Probability 0.21
0.21
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(11c)acetic acid
Showing 5 of 67 metabolites
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