Substrate
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Generation 1
XenoSite
Tetracaine
CCCCNc1ccc(C(=O)OCCN(C)C)cc1
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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Propyl carbinol
CCCCO
CHEBI
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Description
▾
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.
hydroxylation
Probability 0.24
0.24
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4-hydroxybutan-2-one
hydroxylation
Probability 0.24
0.24
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(s)-(+)-butane-1,3-diol
hydroxylation
Probability 0.14
0.14
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Tetramethylene glycol
dealkylation
Probability 0.11
0.11
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Propane
dealkylation
Probability 0.11
0.11
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Propanal
Showing 5 of 31 metabolites
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