Substrate
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Generation 1
XenoSite
Asperamide b
CCCCCCCCCCCCC=CC(O)C(=O)NC(COC1OC(CO)C(O)C(O)C1O)C(O)C=CCCC=C(C)CCCCCCCCCCC
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
CCCCCCCCCCCCC=CC(O)C(=O)NC(C=O)C(O)C=CCCC=C(C)CCCCCCCCCCC
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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.
protein
Probability 0.42
0.42
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glutathionation
Probability 0.36
0.36
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dna
Probability 0.33
0.33
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cyanide
Probability 0.02
0.02
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