Substrate
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Generation 1
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Generation 2
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Generation 3
XenoSite
Acequinocyl
CCCCCCCCCCCCC1=C(OC(C)=O)C(=O)c2ccccc2C1=O
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
CCCCCCCCCCCCc1c(OC(C)=O)c(=O)c2c(=O)ccc(=O)c=2c1=O
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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
CCCCCCCCCCCCC1=C(OC(C)=O)C(=O)C2=C(C1=O)C(=O)C1OC1C2=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
CCCCCCCCCCCCC1=C(OC(C)=O)CC2=C(C1=O)C(=O)C1OC1C2=O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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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 0.14
0.14
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dna
Probability 0.08
0.08
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protein
Probability 0.05
0.05
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cyanide
Probability 0.00
0.00
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