Substrate
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Generation 1
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Generation 2
XenoSite
Amidino-scyllo-inosamine
N=C(N)NC1C(O)C(O)C(O)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
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Guanidine
N=C(N)N
CHEBI
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Description
▾
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
Hydroxyguanidine
N=C(N)NO
CHEBI
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Description
▾
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 3
Select a metabolite to form the next generation.
dehydration
Probability 0.61
0.61
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Guanidine
dehydration
Probability 0.61
0.61
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15o
nitrogen reduction
Probability 0.61
0.61
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Guanidine
nitrogen reduction
Probability 0.61
0.61
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15o
nitrogen oxidation
Probability 0.11
0.11
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Showing 5 of 16 metabolites
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