Substrate
/
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
Generation 1
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COc1cc(O)c2c(c1)C(=O)C13OC1(O)C1=C(C=C3C2=O)C(O)C(OC2OC(C)C(N)C(OC3OCC(O)C(O)C3O)C2O)c2cc(C)c(C(=O)NC(C)C(=O)O)c(O)c21
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
gsh
protein
cyanide
dna
Generation 2
Select a metabolite to form the next generation.
dna
Probability 0.09
0.09
protein
Probability 0.03
0.03
glutathionation
Probability 0.01
0.01
glutathionation
Probability 0.00
0.00
dna
Probability 0.00
0.00
Showing 5 of 16 metabolites
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