Substrate
/
Generation 1
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Generation 2
XenoSite
Aadg
CC(=O)NC1C(NC(=O)CC(N)C(=O)O)OC(CO)C(O)C1O
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 1
Show metabolites
Aspartic β-semialdehyde
NC(CC=O)C(=O)O
CHEBI
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 2
Show metabolites
Formylpyruvate
O=CCC(=O)C(=O)O
CHEBI
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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 3
Select a metabolite to form the next generation.
hydrogenation
Probability 0.36
0.36
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4-hydroxy-2-oxobutanoic acid
hydrogenation
Probability 0.36
0.36
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dealkylation
Probability 0.02
0.02
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An oxidized polyvinyl alcohol
dealkylation
Probability 0.02
0.02
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Oxalic acid
dealkylation
Probability 0.02
0.02
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Glyoxylic acid
Showing 5 of 26 metabolites
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