Substrate
/
Generation 1
XenoSite
Acetylcholine
CC(=O)OCC[N+](C)(C)C
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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Trimethylamine
CN(C)C
CHEBI
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Description
▾
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.
dealkylation
Probability 0.67
0.67
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Formaldehyde
dealkylation
Probability 0.67
0.67
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Dimethylamine
dealkylation
Probability 0.67
0.67
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Methanol
dealkylation
Probability 0.67
0.67
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Formic acid
nitrogen oxidation
Probability 0.62
0.62
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Trimethylaminoxid
Showing 5 of 6 metabolites
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