Substrate
/
Generation 1
/
Generation 2
XenoSite
Aristolochic acid a
COc1cccc2c1cc([N+](=O)[O-])c1c(C(=O)O)cc3c(c12)OCO3
CHEBI
Copy JSON
Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
Show metabolites
COC1=c2cc([N+](=O)[O-])c3c(C(=O)O)cc4c(c3c2=CC2OC12)OCO4
Copy JSON
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
COC1=C2C3=CC4OC4C(OC)=C3C(=O)C([N+](=O)[O-])=C2C(C(=O)O)=CC1=O
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.
glutathionation
Probability 0.29
0.29
dna
Probability 0.24
0.24
protein
Probability 0.18
0.18
glutathionation
Probability 0.12
0.12
glutathionation
Probability 0.11
0.11
Showing 5 of 12 metabolites
Show all