Substrate
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Generation 1
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Generation 2
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Generation 3
XenoSite
Alizarin cyanin bbs free acid
O=C1c2c(O)c(O)c(S(=O)(=O)O)c(O)c2C(=O)c2c(O)c(O)c(S(=O)(=O)O)c(O)c21
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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=C1c2c(O)c(S(=O)(=O)O)c(O)c(O)c2C(O)c2c(O)c(S(=O)(=O)O)c(O)c(O)c21
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
O=C1C2=C(C(O)c3c(O)c(O)c(S(=O)(=O)O)c(O)c31)C1(O)OC1(S(=O)(=O)O)C(O)=C2O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
Show metabolites
O=C1C(O)=C(S(=O)(=O)O)C(O)=C2C(=O)C3=C(C(O)=C12)C1(O)OC1(S(=O)(=O)O)C(O)=C3O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
gsh
protein
cyanide
dna
Generation 4
Select a metabolite to form the next generation.
dna
Probability 0.17
0.17
protein
Probability 0.07
0.07
glutathionation
Probability 0.05
0.05
glutathionation
Probability 0.03
0.03
protein
Probability 0.01
0.01
Showing 5 of 8 metabolites
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