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(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=C(S(=O)(=O)[O-])C=CC1=Nc1cc2c(nc3ccccc3[n+]2C2=CC3OC3C=C2)c2ccc(S(=O)(=O)[O-])cc12
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
gsh
protein
cyanide
dna
Generation 3
Show metabolites
*C1C=C([n+]2c3ccccc3nc3c4ccc(S(=O)(=O)[O-])cc4c(N=C4C=CC(S(=O)(=O)[O-])=CC4=O)cc32)C=CC1O |$GSH;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
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glutathionation · 0.05