Substrate
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Generation 1
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Generation 2
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Generation 3
XenoSite
Aclacinomycin s
CCC1(O)CC(OC2CC([NH+](C)C)C(OC3CC(O)C(O)C(C)O3)C(C)O2)c2c(cc3c(c2[O-])C(=O)c2c(O)cccc2C3=O)C1C(=O)OC
CHEBI
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
Show metabolites
CCC1(O)CC(OC2CC([NH+](C)C)C(OC3CC(O)C(O)C(C)O3)C(C)O2)c2c([cH-]c3c(c2=O)C(=O)C2=C(C=CC4OC24O)C3=O)C1C(=O)OC
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
CCC1(O)CC(OC2CC([NH+](C)C)C(OC3CC(O)C(O)C(C)O3)C(C)O2)=C2C(=O)C3=C([O-])C4=C(C=CC5OC45O)C(=O)C3=CC2=C1C(=O)OC
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
Show metabolites
*OC1C(O)CC(OC2C(C)OC(OC3=C4C(=O)C5=C([O-])C6=C(C=CC7OC67O)C(=O)C5=CC4=C(C(=O)OC)C(O)(CC)C3)CC2[NH+](C)C)OC1C |$GlcA;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
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glucuronidation · 0.05