Substrate
/
Generation 1
/
Generation 2
XenoSite
Chlortetracycline
CN(C)C1C(O)=C(C(N)=O)C(=O)C2(O)C(O)=C3C(=O)c4c(O)ccc(Cl)c4C(C)(O)C3CC12
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
CN(C)C1C(O)=C(C(N)=O)CC2(O)C(O)=C3C(=O)c4c(O)ccc(Cl)c4C(C)(O)C3CC12
Copy JSON
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
CN(C)C1C(O)=C(C(N)=O)CC2(O)C1CC1C(C)(O)c3c(Cl)ccc(O)c3C(=O)C13OC23O
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 0.11
0.11
dna
Probability 0.07
0.07
protein
Probability 0.06
0.06
dna
Probability 0.02
0.02
cyanide
Probability 0.01
0.01
Showing 5 of 12 metabolites
Show all