Substrate
/
Generation 1
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Generation 2
XenoSite
Amaranthin
O=C(O)C1=CC(=CC=[N+]2c3cc(O)c(OC4OC(CO)C(O)C(O)C4OC4OC(C(=O)O)C(O)C(O)C4O)cc3CC2C(=O)[O-])CC(C(=O)O)N1
CHEBI
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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
Show metabolites
O=C(O)C1=CC(CC=[N+]2c3cc(O)c(OC4OC(CO)C(O)C(O)C4OC4OC(C(=O)O)C(O)C(O)C4O)cc3CC2C(=O)[O-])CC(C(=O)O)N1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
O=C(O)C1=CC(CC=[N+]2C3=CC4(O)OC4(OC4OC(CO)C(O)C(O)C4OC4OC(C(=O)O)C(O)C(O)C4O)C=C3CC2C(=O)[O-])CC(C(=O)O)N1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
gsh
protein
cyanide
dna
Generation 3
Select a metabolite to form the next generation.
glutathionation
Probability 0.16
0.16
glutathionation
Probability 0.04
0.04
protein
Probability 0.04
0.04
protein
Probability 0.02
0.02
dna
Probability 0.01
0.01
Showing 5 of 12 metabolites
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