Substrate
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Generation 1
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Generation 2
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
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
O=c1c(O)c(S(=O)(=O)O)c(=O)c2c(=O)c3c(O)c(O)c(S(=O)(=O)O)c(O)c3c(=O)c1=2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
O=c1c(O)c(S(=O)(=O)O)c(=O)c2c(=O)c3c(c(=O)c1=2)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 3
Select a metabolite to form the next generation.
dna
Probability 0.24
0.24
glutathionation
Probability 0.08
0.08
protein
Probability 0.07
0.07
glutathionation
Probability 0.03
0.03
protein
Probability 0.01
0.01
Showing 5 of 8 metabolites
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