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
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Generation 1
Show metabolites
CC(=O)OC1CC=C2CCNC2C1c1cc2c(cc1C(=O)O)OCO2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 2
Show metabolites
COC1=CC(C(=O)O)=C(C2C(OC(C)=O)CC=C3CCNC32)C(=O)C1=O
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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 3
Show metabolites
COC1=CC(C(=O)O)=C(C2C(O)CC=C3CCNC32)C(=O)C1=O
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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 4
Select a metabolite to form the next generation.
glutathionation
Probability 0.31
0.31
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protein
Probability 0.18
0.18
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dna
Probability 0.02
0.02
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cyanide
Probability 0.00
0.00
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