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=C(CC=O)C2NCc3cc4c(cc3C12)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=C(CC=O)C2NCc3cc(O)c(OC(=O)O)cc3C12
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
Select a metabolite to form the next generation.
quinone formation
Probability 0.66
0.66
quinone formation
Probability 0.66
0.66
Formic acid
quinone formation
Probability 0.00
0.00
quinone formation
Probability 0.00
0.00
quinone formation
Probability 0.00
0.00
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