Substrate
/
Generation 1
/
Generation 2
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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CCCCCCCCCCCCC1=C(OC(C)=O)C(=O)C2=C(C1=O)C1OC1C=C2
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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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CCCCCCCCCCCCC1=C(OC(C)=O)C(O)C2=C(C1=O)C1OC1C=C2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
gsh
protein
cyanide
dna
Generation 3
Select a metabolite to form the next generation.
glutathionation
Probability 0.41
0.41
dna
Probability 0.31
0.31
glutathionation
Probability 0.18
0.18
dna
Probability 0.14
0.14
protein
Probability 0.14
0.14
Showing 5 of 8 metabolites
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