Substrate
/
Generation 1
/
Generation 2
/
Generation 3
/
Generation 4
XenoSite
Adenosine
Nc1ncnc2c1ncn2C1OC(CO)C(O)C1O
CHEBI
Copy JSON
Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
Show metabolites
Nc1ncnc2c1N1OC1N2C1OC(CO)C(O)C1O
Copy JSON
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
Nc1ncnc2c1=NOCN=2
Copy JSON
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
Show metabolites
N=C1N=CN=C(N)C1=NOC=O
Copy JSON
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 4
Show metabolites
N=C1C(=NOC=O)C(N)=NC2ON12
Copy JSON
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
gsh
protein
cyanide
dna
Generation 5
Maximum generation reached — metabolites here can't start another hop.
protein
Probability 0.39
0.39
glutathionation
Probability 0.24
0.24
dna
Probability 0.17
0.17
cyanide
Probability 0.04
0.04