Substrate
/
Generation 1
/
Generation 2
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
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Generation 1
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O=S(=O)(O)c1ccc(N=c2cc3n(-c4ccccc4)c4c(nc-3c3ccc(S(=O)(=O)O)cc23)C2OC2C=C4)cc1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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Generation 2
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Phenolsulfonic acid
O=S(=O)(O)c1ccc(O)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 3
Select a metabolite to form the next generation.
hydrogenation
Probability 0.15
0.15
sulfur reduction
Probability 0.15
0.15
15o
sulfur reduction
Probability 0.15
0.15
hydroxylation
Probability 0.02
0.02
4-sulfocatechol
hydroxylation
Probability 0.01
0.01
2,4-dihydroxybenzenesulfonic acid
Showing 5 of 31 metabolites
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