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
CHEBI
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Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
Show metabolites
O=S(=O)(O)c1ccc2c3nc4ccccc4n(-c4ccccc4)c-3cc(=NC3=CC4OC4(S(=O)(=O)O)C=C3)c2c1
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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
Show metabolites
Acide sulfonique
O=[SH](=O)O
CHEBI
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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 0.14
0.14
sulfur reduction
Probability 0.14
0.14
15o
sulfur reduction
Probability 0.14
0.14
Sulfinic acid
sulfur reduction
Probability 0.00
0.00
15o
sulfur reduction
Probability 0.00
0.00
Sulfur dioxide