Substrate
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Generation 1
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Generation 2
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Generation 3
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
Show metabolites
O=S(=O)([O-])c1ccc(Nc2cc3c(nc4c([n+]3-c3ccccc3)C=CC3OC43)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=S(=O)([O-])c1ccc(N=C2C=c3c(nc4c([n+]3-c3ccccc3)C=CC3OC=43)-c3ccc(S(=O)(=O)[O-])cc32)cc1
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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 3
Show metabolites
O=S(=O)([O-])c1ccc2c(c1)C(=Nc1ccc([SH](=O)([O-])O)cc1)C=c1c-2nc2c([n+]1-c1ccccc1)C=CC1OC=21
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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 0.52
0.52
glutathionation
Probability 0.42
0.42
protein
Probability 0.34
0.34
dna
Probability 0.20
0.20
protein
Probability 0.18
0.18
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