Substrate
/
Generation 1
/
Generation 2
XenoSite
Balsalazide
O=C(O)CCNC(=O)c1ccc(N=Nc2ccc(O)c(C(=O)O)c2)cc1
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)CCNC(=O)c1ccc(NNc2ccc(O)c(C(=O)O)c2)cc1
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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)CCNC(=O)C1=CC(=O)C(=NNc2ccc(O)c(C(=O)O)c2)C=C1
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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 0.61
0.61
protein
Probability 0.19
0.19
glutathionation
Probability 0.14
0.14
protein
Probability 0.02
0.02
protein
Probability 0.02
0.02
Showing 5 of 12 metabolites
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