Substrate
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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
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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
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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.
hydrogenation
Probability 0.61
0.61
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(<i>s</i>)-(−)-2,3-epoxy-1-propanol
dealkylation
Probability 0.26
0.26
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Tartronate semialdehyde
dealkylation
Probability 0.26
0.26
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Glucosereductone
dealkylation
Probability 0.26
0.26
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L-glyceraldehyde
dealkylation
Probability 0.19
0.19
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Showing 5 of 20 metabolites
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