Substrate
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Generation 1
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Generation 2
XenoSite
Azocarmine g anion
O=S(=O)([O-])c1ccc(Nc2cc3c(nc4ccccc4[n+]3-c3ccccc3)c3ccc(S(=O)(=O)[O-])cc23)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=S(=O)([O-])c1ccc(Nc2cc3c(nc4ccccc4[n+]3C3=CC4OC4C=C3)c3ccc(S(=O)(=O)[O-])cc23)cc1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
O=C1C(=Nc2ccc(S(=O)(=O)[O-])cc2)c2cc(S(=O)(=O)[O-])ccc2-c2nc3ccccc3[n+](C3=CC4OC4C=C3)c21
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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 0.21
0.21
glutathionation
Probability 0.18
0.18
dna
Probability 0.17
0.17
glutathionation
Probability 0.09
0.09
protein
Probability 0.05
0.05
Showing 5 of 16 metabolites
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