Substrate
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Generation 1
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Generation 2
XenoSite
Aculene a
CCC1=CC(=O)C2(C)C1=CC=C(C)CC2OC(=O)C1CCC[NH2+]1
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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Generation 1
Show metabolites
CCC12OC1C(=O)C1(C)C2=CC=C(C)CC1OC(=O)C1CCC[NH2+]1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 2
Show metabolites
CCC12OC1C(=O)C1(C)C2=CC=C(C)CC1OC(=O)C(N)CCCO
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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 3
Select a metabolite to form the next generation.
glutathionation
Probability 0.05
0.05
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dna
Probability 0.04
0.04
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protein
Probability 0.02
0.02
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cyanide
Probability 0.00
0.00
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