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)OC1CC=C2CCN3CC45OC4C4=C(C=C5C1C23)OCO4
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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)OC1CC=C2CCN3CC45OC4C(OC=O)=C(O)C=C5C1C23
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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 0.17
0.17
glutathionation
Probability 0.13
0.13
glutathionation
Probability 0.07
0.07
dna
Probability 0.05
0.05
dna
Probability 0.04
0.04
Showing 5 of 12 metabolites
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