Substrate
/
Generation 1
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Generation 2
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
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 1
Show metabolites
O=S(=O)(O)c1ccc(-c2ccnc3c2ccc2c(-c4ccc(S(=O)(=O)O)cc4)cc[n+]([O-])c23)cc1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
O=[n+]1ccc(-c2ccc(S(=O)(=O)O)cc2)c2ccc3c(C4=CC5OC5(S(=O)(=O)O)C=C4)cc[n-]c3c21
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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 0.24
0.24
glutathionation
Probability 0.07
0.07
protein
Probability 0.07
0.07
glutathionation
Probability 0.04
0.04
protein
Probability 0.02
0.02
Showing 5 of 8 metabolites
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