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=[SH](=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
gsh
protein
cyanide
dna
Generation 4
Select a metabolite to form the next generation.
dna
Probability 0.53
0.53
glutathionation
Probability 0.39
0.39
protein
Probability 0.32
0.32
dna
Probability 0.20
0.20
protein
Probability 0.17
0.17
Showing 5 of 26 metabolites
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