Substrate
/
Generation 1
XenoSite
Azocarmine g free acid
O=S(=O)(O)c1ccc(N=c2cc3n(-c4ccccc4)c4ccccc4nc-3c3ccc(S(=O)(=O)O)cc23)cc1
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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=S(=O)(O)c1ccc(N=c2cc3n(-c4ccccc4)c4c(nc-3c3ccc(S(=O)(=O)O)cc23)=CC2OC2C=4)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
Select a metabolite to form the next generation.
hydroxylation
Probability 0.16
0.16
epoxidation
Probability 0.12
0.12
hydrogenation
Probability 0.08
0.08
sulfur reduction
Probability 0.08
0.08
15o
sulfur reduction
Probability 0.08
0.08
Showing 5 of 155 metabolites
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