Substrate
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Generation 1
XenoSite
Adipoyl-coenzyme a
CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCC(=O)O
CHEBI
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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Generation 1
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O=C(O)CCCCC(=O)SCCNC(=O)CCO
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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 0.40
0.40
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hydrolysis
Probability 0.40
0.40
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Hydracrylic acid
hydrolysis
Probability 0.40
0.40
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3-hydroxypropanal
hydrolysis
Probability 0.30
0.30
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hydrolysis
Probability 0.30
0.30
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Adipic acid
Showing 5 of 116 metabolites
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