Substrate
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Generation 1
XenoSite
Acetylblasticidin s
CC(=O)NC(CCN(C)C(=N)N)CC(=O)NC1C=CC(n2ccc(N)nc2=O)OC1C(=O)O
CHEBI
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Description
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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 1
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Nc1ccn(C2C=CC(N)C(C(=O)O)O2)c(=O)n1
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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 2
Select a metabolite to form the next generation.
dehydrogenation
Probability 0.19
0.19
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dealkylation
Probability 0.15
0.15
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dealkylation
Probability 0.15
0.15
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dealkylation
Probability 0.15
0.15
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Cytosine
nitrogen oxidation
Probability 0.07
0.07
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Showing 5 of 82 metabolites
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