Substrate
/
Generation 1
XenoSite
Amphotericin b
CC1C=CC=CC=CC=CC=CC=CC=CC(OC2OC(C)C(O)C(N)C2O)CC2OC(O)(CC(O)CC(O)C(O)CCC(O)CC(O)CC(=O)OC(C)C(C)C1O)CC(O)C2C(=O)O
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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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CC1C=CC=CC=CC=CC=CC=CC2OC2C(OC2OC(C)C(O)C(N)C2O)CC2OC(O)(CC(O)CC(O)C(O)CCC(O)CC(O)CC(=O)OC(C)C(C)C1O)CC(O)C2C(=O)O
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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.
hydrolysis
Probability 0.08
0.08
hydrolysis
Probability 0.08
0.08
dealkylation
Probability 0.04
0.04
dealkylation
Probability 0.04
0.04
dealkylation
Probability 0.04
0.04
3-amino-3-deoxy-α-<small>d</small>-fucopyranose
Showing 5 of 297 metabolites
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