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
Generation 1
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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
Generation 2
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CCCCCCCCCCCCC12OC1(OC(C)=O)C(=O)C1=C(C(=O)C=CC1=O)C2=O
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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 3
Show metabolites
CCCCCCCCCCCCC12OC1(OC(C)=O)C(=O)C1=C(C(=O)C=CC1)C2=O
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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 0.36
0.36
glutathionation
Probability 0.32
0.32
dna
Probability 0.22
0.22
protein
Probability 0.10
0.10
dna
Probability 0.10
0.10
Showing 5 of 12 metabolites
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