Substrate
/
Generation 1
/
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
Generation 1
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O=C1C=C(c2ccc(S(=O)(=O)O)cc2)c2ccc3c(c2=N1)=NC(=O)C=C3c1ccc(S(=O)(=O)O)cc1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
O=C1C=C(c2ccc(S(=O)(=O)O)cc2)c2ccc3c(c2=N1)=NC(=O)C=C3C12C=CC(S(=O)(=O)O)=CC1O2
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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 0.13
0.13
dna
Probability 0.05
0.05
glutathionation
Probability 0.03
0.03
protein
Probability 0.03
0.03
protein
Probability 0.01
0.01
Showing 5 of 16 metabolites
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