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
Generation 1
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O=C(O)CCNC(=O)C1=CC=C(N=Nc2ccc(O)c(C(=O)O)c2)C2OC12
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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=C(O)CCNC(=O)C1=CC=C(NNc2ccc(O)c(C(=O)O)c2)C2OC12
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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)C1=CC=C(NN=C2C=CC(O)=C(C(=O)O)C2=O)C2OC12
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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.
glutathionation
Probability 0.22
0.22
glutathionation
Probability 0.17
0.17
dna
Probability 0.12
0.12
glutathionation
Probability 0.06
0.06
protein
Probability 0.06
0.06
Showing 5 of 16 metabolites
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