Substrate
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Generation 1
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Generation 2
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Generation 3
XenoSite
Arenamide a
CCCCCCC(C)C1CC(=O)NCC(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(Cc2ccccc2)C(=O)O1
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
CCCCCCC(C)C(O)CC(=O)NCC(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(C=O)Cc1ccccc1)C(C)C
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
CCCCCCC(C)C(O)CC(=O)NCC(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(C=O)CC1=CC=CC(=O)C1=O)C(C)C
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
Show metabolites
CC(C)CC(NC(=O)C(NC(=O)C=O)C(C)C)C(=O)NC(C)C(=O)NC(C=O)CC1=CC=CC(=O)C1=O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
gsh
protein
cyanide
dna
Generation 4
Select a metabolite to form the next generation.
protein
Probability 0.27
0.27
protein
Probability 0.18
0.18
dna
Probability 0.12
0.12
glutathionation
Probability 0.09
0.09
protein
Probability 0.08
0.08
Showing 5 of 16 metabolites
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