Substrate
/
Generation 1
XenoSite
Acrolein
C=CC=O
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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2-oxiranecarboxaldehyde
O=CC1CO1
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 2
Select a metabolite to form the next generation.
dehydration
Probability 0.61
0.61
Epoxypropane
dehydration
Probability 0.61
0.61
15o
hydrogenation
Probability 0.61
0.61
(<i>s</i>)-(−)-2,3-epoxy-1-propanol
oxygen reduction
Probability 0.61
0.61
(<i>s</i>)-(−)-2,3-epoxy-1-propanol
dealkylation
Probability 0.26
0.26
Tartronate semialdehyde
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