Substrate
/
Generation 1
XenoSite
Androstenediol
CC12CCC(O)CC1=CCC1C2CCC2(C)C(O)CCC12
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
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16-oxoandrostenediol
CC12CCC(O)CC1=CCC1C2CCC2(C)C(O)C(=O)CC12
CHEBI
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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 2
Select a metabolite to form the next generation.
dehydration
Probability 0.50
0.50
Androstenediol
dehydration
Probability 0.50
0.50
15o
hydrogenation
Probability 0.50
0.50
(1<i>r</i>,2<i>s</i>,3a<i>s</i>,3b<i>r</i>,7<i>r</i>,9a<i>r</i>,9b<i>s</i>,11a<i>s</i>)-9a,11a-dimethyl-2,3,3a,3b,4,6,7,8,9,9a,9b,10,11,11a-tetradecahydro-1<em>h</em>-cyclopenta[<em>a</em>]phenanthrene-1,2,7-triol
oxygen reduction
Probability 0.50
0.50
(1<i>r</i>,2<i>s</i>,3a<i>s</i>,3b<i>r</i>,7<i>r</i>,9a<i>r</i>,9b<i>s</i>,11a<i>s</i>)-9a,11a-dimethyl-2,3,3a,3b,4,6,7,8,9,9a,9b,10,11,11a-tetradecahydro-1<em>h</em>-cyclopenta[<em>a</em>]phenanthrene-1,2,7-triol
hydrogenation
Probability 0.09
0.09
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