Substrate
/
Generation 1
/
Generation 2
XenoSite
Adomet
C[S+](CCC(N)C(=O)O)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O
CHEBI
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
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C[S+](CCC(N)C(=O)O)CC1OC(N2c3ncnc(N)c3N3OC32)C(O)C1O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
C[S+](CCC(N)C(=O)O)CC1OC(N2C3=NC=NC(=N)C3=[N+]3OC23)C(O)C1O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 3
Select a metabolite to form the next generation.
hydrogenation
Probability 0.20
0.20
dealkylation
Probability 0.16
0.16
dealkylation
Probability 0.16
0.16
dealkylation
Probability 0.16
0.16
epoxidation
Probability 0.13
0.13
Showing 5 of 119 metabolites
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