Substrate
/
Generation 1
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Generation 2
XenoSite
Acetylcaranine
CC(=O)OC1CC=C2CCN3Cc4cc5c(cc4C1C23)OCO5
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
Caranine
OC1CC=C2CCN3Cc4cc5c(cc4C1C23)OCO5
CHEBI
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Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 2
Show metabolites
O=Cc1cc2c(cc1C1C(O)CC=C3CCNC31)OCO2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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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.
protein
Probability 0.33
0.33
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dna
Probability 0.32
0.32
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glutathionation
Probability 0.31
0.31
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cyanide
Probability 0.01
0.01
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