Substrate
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Generation 1
XenoSite
Benanomicin b
COc1cc(O)c2c(c1)C(=O)c1c(cc3c(c1O)-c1c(cc(C)c(C(=O)NC(C)C(=O)O)c1O)C(OC1OC(C)C(N)C(OC4OCC(O)C(O)C4O)C1O)C3O)C2=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
Show metabolites
Formaldehyde
C=O
CHEBI
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Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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gsh
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protein
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cyanide
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dna
Generation 2
Select a metabolite to form the next generation.
glutathionation
Probability 0.99
0.99
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protein
Probability 0.91
0.91
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dna
Probability 0.51
0.51
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cyanide
Probability 0.13
0.13
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