Substrate
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Generation 1
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Generation 2
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Generation 3
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=C2CCNC2C1c1cc2c(cc1CO)OCO2
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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=C2CCNC2C1c1cc(OC=O)c(O)cc1CO
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
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CC(=O)OC1CC=C2CCNC2C1C1=C(CO)C2OC2(O)C(OC=O)=C1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
gsh
protein
cyanide
dna
Generation 4
Select a metabolite to form the next generation.
protein
Probability 0.19
0.19
glutathionation
Probability 0.14
0.14
protein
Probability 0.08
0.08
dna
Probability 0.08
0.08
glutathionation
Probability 0.06
0.06
Showing 5 of 12 metabolites
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