Substrate
/
Generation 1
/
Generation 2
XenoSite
Atropine
C[NH+]1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2
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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C[NH+]1C2CCC1CC(OC(=O)C(CO)C13C=CC=CC1O3)C2
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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
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Tropine
C[NH+]1C2CCC1CC(O)C2
CHEBI
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Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
Select a metabolite to form the next generation.
dealkylation
Probability 0.53
0.53
Formaldehyde
dealkylation
Probability 0.53
0.53
Methanol
dealkylation
Probability 0.53
0.53
Formic acid
dealkylation
Probability 0.53
0.53
Nor-psi-tropine
dealkylation
Probability 0.06
0.06
Showing 5 of 6 metabolites
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