Substrate
/
Generation 1
XenoSite
Bathophenanthroline disulfonic acid
O=S(=O)(O)c1ccc(-c2ccnc3c2ccc2c(-c4ccc(S(=O)(=O)O)cc4)ccnc23)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=S(=O)(O)c1ccc(-c2ccnc3c2ccc2c(C4=CC5OC5(S(=O)(=O)O)C=C4)ccnc23)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.
epoxide opening
Probability 0.16
0.16
epoxide opening
Probability 0.16
0.16
hydrogenation
Probability 0.08
0.08
sulfur reduction
Probability 0.08
0.08
15o
sulfur reduction
Probability 0.08
0.08
Showing 5 of 179 metabolites
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