Substrate
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Generation 1
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Generation 2
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Generation 3
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Generation 4
XenoSite
Amiodaronum
CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1
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
CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCC(=O)O)c(I)c1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
CCCCc1oc2ccccc2c1C(=O)C1=CC2(I)OC2(OCC(=O)O)C(I)=C1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
Show metabolites
CCCCc1oc2c(c1C(=O)C1=CC3(I)OC3(OCC(=O)O)C(I)=C1)=CC(=O)C(=O)C=2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
gsh
protein
cyanide
dna
Generation 4
Show metabolites
*C1(OCC(=O)O)C(I)=CC(C(=O)c2c(CCCC)oc3c2=CC(=O)C(=O)C=3)=CC1(O)I |$GSH;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
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glutathionation · 0.05