Substrate
/
Generation 1
/
Generation 2
/
Generation 3
XenoSite
Abacavir carboxylate
Nc1nc(NC2CC2)c2ncn(C3C=CC(C(=O)O)C3)c2n1
CHEBI
Copy JSON
Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
Show metabolites
NC1=NC23OC2(N=CN3C2C=CC(C(=O)O)C2)C(NC2CC2)=N1
Copy JSON
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
N=CN(C1C=CC(C(=O)O)C1)C12N=C(N)N=C(NC3CC3)C1(O)O2
Copy JSON
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
gsh
protein
cyanide
dna
Generation 3
Show metabolites
*C1(O)C(NC2CC2)=NC(N)=NC1(O)N(C=N)C1C=CC(C(=O)O)C1 |$GSH;;;;;;;;;;;;;;;;;;;;;;;;$|
Copy JSON
glutathionation · 0.39