Substrate
/
Generation 1
XenoSite
Amylotetraose
OCC1OC(OC2C(CO)OC(OC3C(CO)OC(OC4C(CO)OC(O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O
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Description
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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 1
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OCC1OC(O)C(O)C(O)C1OC1OC(CO)C(OC2OC(CO)C(OC3OCC(O)C(O)C3O)C(O)C2O)C(O)C1O
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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.
dealkylation
Probability 0.06
0.06
<small>d</small>-arabinono-1,5-lactone
dealkylation
Probability 0.06
0.06
Alpha-l-xylo-pentopyranose
dealkylation
Probability 0.06
0.06
Β-<small>d</small>-glucosyl-(1→4)-β-<small>d</small>-glucosyl-(1→4)-<small>d</small>-mannopyranose
dealkylation
Probability 0.06
0.06
dealkylation
Probability 0.06
0.06
(3<i>r</i>,4<i>r</i>,5<i>s</i>,6<i>r</i>)-6-(hydroxymethyl)-5-[(2<i>s</i>,3<i>r</i>,4<i>s</i>,5<i>r</i>)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2,3,4-triol
Showing 5 of 175 metabolites
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