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
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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(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(N=C2N=CN=C(N)C2=NOC(=O)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.
hydrogenation
Probability 0.13
0.13
hydrolysis
Probability 0.10
0.10
hydrolysis
Probability 0.10
0.10
Carbonic acid
hydrolysis
Probability 0.10
0.10
Formic acid
hydrogenation
Probability 0.08
0.08
Showing 5 of 135 metabolites
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