Substrate
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Generation 1
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Generation 2
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Generation 3
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
Show metabolites
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
Show metabolites
3-[[4-[(2-carboxyethylamino)-oxomethyl]phenyl]hydrazinylidene]-6-oxo-1-cyclohexa-1,4-dienecarboxylic acid
O=C(O)CCNC(=O)c1ccc(NN=C2C=CC(=O)C(C(=O)O)=C2)cc1
CHEBI
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
Show metabolites
O=C(O)CCNC(=O)c1ccc(NN=C2C=CC(=O)C3(C(=O)O)OC23)cc1
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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 0.32
0.32
protein
Probability 0.25
0.25
dna
Probability 0.17
0.17
glutathionation
Probability 0.11
0.11
glutathionation
Probability 0.08
0.08
Showing 5 of 20 metabolites
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