Substrate
/
Generation 1
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
About this model
Generation 1
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1-keto-d-chiro-inositol
O=C1C(O)C(O)C(O)C(O)C1O
CHEBI
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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.
hydroxylation
Probability 0.02
0.02
dealkylation
Probability 0.02
0.02
dealkylation
Probability 0.02
0.02
L-ketoidonic acid
dealkylation
Probability 0.00
0.00
Isohexonic acid
dealkylation
Probability 0.00
0.00
(2<i>s</i>,3<i>r</i>,4<i>s</i>,5<i>r</i>)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid
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