XenoSite

Aclacinomycin s

CHEBI
Phase 1ReactivityEpoxidationQuinonationN-DealkylationUGT Conjugation
Aclacinomycin s Epoxidation prediction
CCC1(O)CC(OC2CC([NH+](C)C)C(OC3CC(O)C(O)C(C)O3)C(C)O2)[c-]2c(cc3c(c2=O)C(=O)C2=C(C=CC4OC24O)C3=O)C1C(=O)OC stable oxygenation prediction
CCC1(O)CC(OC2CC([NH+](C)C)C(OC3CC(O)C(O)C(C)O3)C(C)O2)[c-]2c(cc3c(c2=O)C(=O)C2=C(C=CC4OC24O)C3=O)C1C(=O)OC unstable oxygenation prediction
CCC1(O)CC(OC2CC([NH+](C)C)C(OC3CC(O)C(O)C(C)O3)C(C)O2)[c-]2c(cc3c(c2=O)C(=O)C2=C(C=CC4OC24O)C3=O)C1C(=O)OC dehydrogenation prediction
CCC1(O)CC(OC2CC([NH+](C)C)C(OC3CC(O)C(O)C(C)O3)C(C)O2)[c-]2c(cc3c(c2=O)C(=O)C2=C(C=CC4OC24O)C3=O)C1C(=O)OC reduction prediction
CCC1(O)CC(OC2CC([NH+](C)C)C(OC3CC(O)C(O)C(C)O3)C(C)O2)[c-]2c(cc3c(c2=O)C(=O)C2=C(C=CC4OC24O)C3=O)C1C(=O)OC hydrolysis prediction
CCC1(O)CC(OC2CC([NH+](C)C)C(OC3CC(O)C(O)C(C)O3)C(C)O2)[c-]2c(cc3c(c2=O)C(=O)C2=C(C=CC4OC24O)C3O)C1C(=O)OC N-Dealkylation prediction
CCC1(O)CC(OC2CC(NC)C(OC3CC(O)C(O)C(C)O3)C(C)O2)[c-]2c(cc3c(c2=O)C(=O)C2=C(C=CC4OC24O)C3O)C1C(=O)OC Quinonation prediction
CCC1(O)CC(OC2CC(NC)C(OC3CC(O)C(O)C(C)O3)C(C)O2)[C-]2C(=O)C3=C(C(=O)C2=C1C(=O)OC)C(O)C1=C(C3=O)C2(O)OC2C=C1 gsh prediction
CCC1(O)CC(OC2CC(NC)C(OC3CC(O)C(O)C(C)O3)C(C)O2)[C-]2C(=O)C3=C(C(=O)C2=C1C(=O)OC)C(O)C1=C(C3=O)C2(O)OC2C=C1 protein prediction
CCC1(O)CC(OC2CC(NC)C(OC3CC(O)C(O)C(C)O3)C(C)O2)[C-]2C(=O)C3=C(C(=O)C2=C1C(=O)OC)C(O)C1=C(C3=O)C2(O)OC2C=C1 cyanide prediction
CCC1(O)CC(OC2CC(NC)C(OC3CC(O)C(O)C(C)O3)C(C)O2)[C-]2C(=O)C3=C(C(=O)C2=C1C(=O)OC)C(O)C1=C(C3=O)C2(O)OC2C=C1 dna prediction

Maximum generation reached — metabolites here can't start another hop.

Showing 5 of 8 metabolites

Probability scale from 0.0 to 1.0