Substrate
/
Generation 1
/
Generation 2
XenoSite
Acrolein
C=CC=O
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 1
Show metabolites
Propene
C=CC
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 2
Show metabolites
Epoxypropane
CC1CO1
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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gsh
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protein
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cyanide
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dna
Generation 3
Select a metabolite to form the next generation.
dna
Probability 0.95
0.95
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glutathionation
Probability 0.93
0.93
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protein
Probability 0.74
0.74
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glutathionation
Probability 0.58
0.58
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dna
Probability 0.54
0.54
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Showing 5 of 8 metabolites
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