Substrate
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Generation 1
XenoSite
Aadg
CC(=O)NC1C(NC(=O)CC(N)C(=O)O)OC(CO)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
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Generation 1
Show metabolites
Dsg
NC(=O)CC(N)C(=O)O
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
Select a metabolite to form the next generation.
hydrolysis
Probability 0.06
0.06
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((sup 13)n)ammonia
hydrolysis
Probability 0.06
0.06
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Aspartic acid-13c4,15n
hydrolysis
Probability 0.06
0.06
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Aspartic β-semialdehyde
dealkylation
Probability 0.03
0.03
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((sup 13)n)ammonia
dealkylation
Probability 0.03
0.03
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Aspartic acid-13c4,15n
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