Substrate
/
Generation 1
/
Generation 2
XenoSite
Azocarmine g anion
O=S(=O)([O-])c1ccc(Nc2cc3c(nc4ccccc4[n+]3-c3ccccc3)c3ccc(S(=O)(=O)[O-])cc23)cc1
CHEBI
Copy JSON
Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
Show metabolites
O=S(=O)([O-])c1ccc([NH+]=c2cc3n(C4=CC5OC5C=C4)c4ccccc4nc-3c3ccc(S(=O)(=O)[O-])cc23)cc1
Copy JSON
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=[N+]=c1cc2n(C3=CC4OC4C=C3)c3ccccc3nc-2c2ccc(S(=O)(=O)[O-])cc12
Copy JSON
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 0.15
0.15
dna
Probability 0.13
0.13
glutathionation
Probability 0.11
0.11
dna
Probability 0.07
0.07
glutathionation
Probability 0.04
0.04
Showing 5 of 24 metabolites
Show all