Substrate
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Generation 1
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Generation 2
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Generation 3
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
Show metabolites
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(N=C2N=CN=C(N)C2=[N+]2CO2)C(O)C1O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
Show metabolites
C[S+](CCC(N)C(=O)O)CC1OC(O)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 4
Select a metabolite to form the next generation.
dealkylation
Probability 0.07
0.07
dealkylation
Probability 0.07
0.07
dealkylation
Probability 0.07
0.07
(3s,4r)-oxolane-2,3,4-triol
dealkylation
Probability 0.06
0.06
dealkylation
Probability 0.06
0.06
Showing 5 of 88 metabolites
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