Substrate
/
Generation 1
/
Generation 2
XenoSite
Actinidine
Cc1cncc2c1CCC2C
CHEBI
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Description
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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 1
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CC1CCc2c(CO)cncc21
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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CC1CCC23OC12C=NC=C3CO
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
gsh
protein
cyanide
dna
Generation 3
Select a metabolite to form the next generation.
glutathionation
Probability 0.08
0.08
glutathionation
Probability 0.03
0.03
dna
Probability 0.03
0.03
dna
Probability 0.02
0.02
protein
Probability 0.01
0.01
Showing 5 of 8 metabolites
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