Substrate
/
Generation 1
XenoSite
Acetyl-coa
CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-]
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
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CC(=O)SCCNC(=O)CC=O
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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 2
Select a metabolite to form the next generation.
hydrolysis
Probability 0.44
0.44
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S-acetylthioethanolamine
hydrolysis
Probability 0.44
0.44
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Malonic semialdehyde
hydrolysis
Probability 0.44
0.44
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Malonaldehyde
dehydration
Probability 0.28
0.28
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dehydration
Probability 0.28
0.28
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15o
Showing 5 of 71 metabolites
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