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
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O=C1C=CC2=NC=C(OC3OC(CO)C(O)C(O)C3O)C2=C1Cl
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
O=C1C(Cl)=C2C(OC3OC(CO)C(O)C(O)C3O)=CN=C2C2OC12
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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 0.46
0.46
protein
Probability 0.41
0.41
glutathionation
Probability 0.40
0.40
protein
Probability 0.18
0.18
glutathionation
Probability 0.17
0.17
Showing 5 of 12 metabolites
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