Substrate
/
Generation 1
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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(N2C=NC34OC3(N)N=CN=C24)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 2
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C[S+](CCC(N)C(=O)O)CC1OC(N(C=N)C2=NC=NC3(N)OC23O)C(O)C1O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
Select a metabolite to form the next generation.
dealkylation
Probability 0.73
0.73
dealkylation
Probability 0.59
0.59
dealkylation
Probability 0.59
0.59
((sup 13)n)ammonia
dealkylation
Probability 0.18
0.18
dealkylation
Probability 0.18
0.18
Showing 5 of 16 metabolites
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