Substrate
/
Generation 1
/
Generation 2
XenoSite
Azocarmine g free acid
O=S(=O)(O)c1ccc(N=c2cc3n(-c4ccccc4)c4ccccc4nc-3c3ccc(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(N=c2cc3n(-c4ccccc4)c4c(nc-3c3ccc(S(=O)(=O)O)cc23)=CC2OC2C=4)cc1
Copy JSON
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
O=C1C=CC=CC1=[n+]1c2c(nc3c1=CC1OC1C=3)-c1ccc(S(=O)(=O)O)cc1C(=Nc1ccc(S(=O)(=O)O)cc1)C=2
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 0.31
0.31
dna
Probability 0.11
0.11
dna
Probability 0.10
0.10
dna
Probability 0.09
0.09
protein
Probability 0.09
0.09
Showing 5 of 28 metabolites
Show all