Substrate
/
Generation 1
/
Generation 2
XenoSite
Alizarin cyanin bbs free acid
O=C1c2c(O)c(O)c(S(=O)(=O)O)c(O)c2C(=O)c2c(O)c(O)c(S(=O)(=O)O)c(O)c21
CHEBI
Copy JSON
Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 1
Show metabolites
O=C1c2c(O)c(S(=O)(=O)O)c(O)c(O)c2C(O)c2c(O)c(S(=O)(=O)O)c(O)c(O)c21
Copy JSON
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
O=C1C2=C(O)C3(S(=O)(=O)O)OC3(O)C(O)=C2C(O)c2c(O)c(S(=O)(=O)O)c(O)c(O)c21
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 0.11
0.11
protein
Probability 0.06
0.06
glutathionation
Probability 0.05
0.05
glutathionation
Probability 0.05
0.05
protein
Probability 0.01
0.01
Showing 5 of 8 metabolites
Show all