Substrate
/
Generation 1
/
Generation 2
XenoSite
Bcig
OCC1OC(Oc2c[nH]c3ccc(Br)c(Cl)c23)C(O)C(O)C1O
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
Show metabolites
OCC1OC(Oc2c[nH]c3c2C(Cl)=C(Br)C2OC32)C(O)C(O)C1O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
O=C1NC2=C3OC3C(Br)=C(Cl)C2=C1OC1OC(CO)C(O)C(O)C1O
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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.
protein
Probability 0.33
0.33
protein
Probability 0.27
0.27
glutathionation
Probability 0.21
0.21
protein
Probability 0.20
0.20
glutathionation
Probability 0.17
0.17
Showing 5 of 16 metabolites
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