Substrate
/
Generation 1
/
Generation 2
/
Generation 3
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(Nc2cc3c(nc4c([n+]3-c3ccccc3)C=CC3OC43)c3ccc(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
Nc1cc2c(nc3c([n+]2-c2ccccc2)C=CC2OC32)c2ccc(S(=O)(=O)[O-])cc12
Copy JSON
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
Show metabolites
N=C1C(=O)c2c(nc3c([n+]2-c2ccccc2)C=CC2OC32)-c2ccc(S(=O)(=O)[O-])cc21
Copy JSON
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 0.42
0.42
glutathionation
Probability 0.27
0.27
dna
Probability 0.22
0.22
protein
Probability 0.15
0.15
Showing 5 of 16 metabolites
Show all