Substrate
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Generation 1
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Generation 2
XenoSite
Achromobactin
O=C(CC(O)(CC(=O)OCCN1C(=O)CCC1(O)C(=O)[O-])C(=O)[O-])NCCC(C(=O)[O-])N1C(=O)CCC1(O)C(=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
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 1
Show metabolites
O=C1CCC(O)(C(=O)[O-])N1CCO
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
O=C(CCC(O)(O)C(=O)[O-])NCCO
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
Select a metabolite to form the next generation.
glucuronidation
Probability 0.79
0.79
glucuronidation
Probability 0.38
0.38
glucuronidation
Probability 0.01
0.01