Substrate
/
Generation 1
/
Generation 2
/
Generation 3
XenoSite
Anthranil
c1ccc2nocc2c1
CHEBI
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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Generation 1
Show metabolites
O=C1C=CC2=NOC(=O)C2=C1
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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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O=C1ON=C2C=CC(O)C=C12
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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Generation 3
Show metabolites
O=C1ON=C2C=CC(O)C3OC123
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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.
dna
Probability 0.09
0.09
glutathionation
Probability 0.06
0.06
glutathionation
Probability 0.06
0.06
protein
Probability 0.04
0.04
protein
Probability 0.02
0.02
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