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
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 1
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O=C(O)c1cc(Cl)c2c(c1O)C(=O)OC(CO)C2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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O=C(O)C1=CC2(Cl)OC23CC(CO)OC(=O)C3=C1O
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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 0.59
0.59
glutathionation
Probability 0.59
0.59
glutathionation
Probability 0.44
0.44
protein
Probability 0.20
0.20
dna
Probability 0.19
0.19
Showing 5 of 16 metabolites
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