Substrate
/
Generation 1
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Generation 2
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
CC(C)CC1NC(=O)C(C(C)C)NC(=O)CNC(=O)CC(C(C)CCCCC(C)O)OC(=O)C(Cc2ccccc2)NC(=O)C(C)NC1=O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
CC(C)CC1NC(=O)C(C(C)C)NC(=O)CNC(=O)CC(C(C)CCCCC(C)O)OC(=O)C(CC2=CC=CC(=O)C2=O)NC(=O)C(C)NC1=O
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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.
dna
Probability 0.05
0.05
protein
Probability 0.03
0.03
glutathionation
Probability 0.01
0.01
glutathionation
Probability 0.01
0.01
protein
Probability 0.01
0.01
Showing 5 of 8 metabolites
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