Substrate
/
Generation 1
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Generation 2
XenoSite
Azocarmine g free acid
O=S(=O)(O)c1ccc(N=c2cc3n(-c4ccccc4)c4ccccc4nc-3c3ccc(S(=O)(=O)O)cc23)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
Show metabolites
O=S(=O)(O)c1ccc(N=c2cc3n(C4=CC5OC5C=C4)c4ccccc4nc-3c3ccc(S(=O)(=O)O)cc23)cc1
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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=S(O)c1ccc(N=c2cc3n(C4=CC5OC5C=C4)c4ccccc4nc-3c3ccc(S(=O)(=O)O)cc23)cc1
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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.
dna
Probability 0.31
0.31
glutathionation
Probability 0.28
0.28
dna
Probability 0.25
0.25
glutathionation
Probability 0.21
0.21
dna
Probability 0.09
0.09
Showing 5 of 20 metabolites
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