Substrate
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Generation 1
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Generation 2
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Generation 3
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Generation 4
XenoSite
Azo-dye hapten
O=S(=O)(O)c1ccc(O)c(N=Nc2c(S(=O)(=O)O)cc3c(S(=O)(=O)O)c(Nc4ncnc(Nc5ccc6c(O)c(N=Nc7cc(S(=O)(=O)O)ccc7O)c(S(=O)(=O)O)cc6c5S(=O)(=O)O)n4)ccc3c2O)c1
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
Nc1ccc2c(O)c(N=Nc3cc(S(=O)(=O)O)ccc3O)c(S(=O)(=O)O)cc2c1S(=O)(=O)O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
NC12C=Cc3c(cc(S(=O)(=O)O)c(N=Nc4cc(S(=O)(=O)O)ccc4O)c3O)C1(S(=O)(=O)O)O2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
Show metabolites
NC12C=Cc3c(cc(S(=O)(=O)O)c(N=NC4=C(O)C(=O)C=C(S(=O)(=O)O)C4=O)c3O)C1(S(=O)(=O)O)O2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
gsh
protein
cyanide
dna
Generation 4
Show metabolites
*C1C(=O)C(O)=C(N=Nc2c(S(=O)(=O)O)cc3c(c2O)C=CC2(N)OC32S(=O)(=O)O)C(O)=C1S(=O)(=O)O |$GSH;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
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glutathionation · 0.21