Substrate
/
Generation 1
XenoSite
Acide aceneuramique
CC(=O)NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CO
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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O=C1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CO
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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 2
Select a metabolite to form the next generation.
dehydration
Probability 0.25
0.25
15o
dehydration
Probability 0.25
0.25
hydrogenation
Probability 0.25
0.25
Deamino-β-neuraminic acid
oxygen reduction
Probability 0.25
0.25
Deamino-β-neuraminic acid
dealkylation
Probability 0.07
0.07
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