Substrate
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Generation 1
/
Generation 2
XenoSite
Acetylleucine
CC(=O)NC(CC(C)C)C(=O)O
CHEBI
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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 1
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CC(=O)NC(CC(C)(C)O)C(=O)O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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(2<i>r</i>)-2-amino-4-hydroxy-4-methylpentanoic acid
CC(C)(O)CC(N)C(=O)O
CHEBI
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Description
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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 3
Select a metabolite to form the next generation.
hydroxylation
Probability 0.11
0.11
dealkylation
Probability 0.05
0.05
dealkylation
Probability 0.05
0.05
dealkylation
Probability 0.05
0.05
((sup 13)n)ammonia
dealkylation
Probability 0.05
0.05
2-hydroxy-2-methylpropanal
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