Substrate
/
Generation 1
/
Generation 2
XenoSite
Alpha-ochratoxin
CC1Cc2c(Cl)cc(C(=O)O)c(O)c2C(=O)O1
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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CC1CC23OC2(Cl)C=C(C(=O)O)C(O)=C3C(=O)O1
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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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CC1CC23OC2(Cl)CC(C(=O)O)C(O)=C3C(=O)O1
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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 0.32
0.32
glutathionation
Probability 0.32
0.32
dna
Probability 0.23
0.23
dna
Probability 0.23
0.23
protein
Probability 0.07
0.07
Showing 5 of 12 metabolites
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