Substrate
/
Generation 1
/
Generation 2
/
Generation 3
XenoSite
Acetylcaranine
CC(=O)OC1CC=C2CCN3Cc4cc5c(cc4C1C23)OCO5
CHEBI
Copy JSON
Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
Show metabolites
CC(=O)OC1CC=C(CC(=O)O)C2NCc3cc4c(cc3C12)OCO4
Copy JSON
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 2
Show metabolites
CC(=O)OC1CC=C(CC(=O)O)C2NCc3cc(O)c(OC=O)cc3C12
Copy JSON
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
gsh
protein
cyanide
dna
Generation 3
Show metabolites
*C(O)Oc1cc2c(cc1O)CNC1C(CC(=O)O)=CCC(OC(C)=O)C21 |$GSH;;;;;;;;;;;;;;;;;;;;;;;;;;$|
Copy JSON
glutathionation · 0.20