Substrate
/
Generation 1
/
Generation 2
XenoSite
Acetylcaranine
CC(=O)OC1CC=C2CCN3Cc4cc5c(cc4C1C23)OCO5
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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CC(=O)OC1CC2OC23CCN2Cc4cc5c(cc4C1C23)OCO5
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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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CC(=O)OC1CC2OC23CCN2Cc4cc(O)c(OC=O)cc4C1C23
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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.
protein
Probability 0.24
0.24
dna
Probability 0.21
0.21
glutathionation
Probability 0.17
0.17
glutathionation
Probability 0.17
0.17
cyanide
Probability 0.06
0.06
Showing 5 of 12 metabolites
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