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
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Generation 1
Show metabolites
C[S+](CCC(N)C(=O)O)CC1OC(N2C=NC34OC23N=CN=C4N)C(O)C1O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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stable oxygenation
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unstable oxygenation
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dehydrogenation
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reduction
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hydrolysis
Generation 2
Show metabolites
C[S+](CCC(N)C(=O)O)CC1OC(N(C=N)C23N=CN=C(N)C2(O)O3)C(O)C1O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 3
Show metabolites
C[S+](CCC(N)C(=O)O)CC1OC(N(C=N)C2(O)OC2(O)C(N)=NC=N)C(O)C1O
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dealkylation · 0.42
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
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