Main compound image
apremilast metabolite m10
  • Other Name: O-Demethyl-N-deacetyl-N-hydroxyacetyl apremilast
  • InChIKey: ILPGBIZNVGEKFG-OAHLLOKOSA-N
  • InChI: InChI=1S/C21H22N2O8S/c1-3-31-17-9-12(7-8-16(17)25)15(11-32(2,29)30)23-20(27)13-5-4-6-14(19(13)21(23)28)22-18(26)10-24/h4-9,15,24-25H,3,10-11H2,1-2H3,(H,22,26)/t15-/m1/s1
  • SMILES: CCOC1=C(C=CC(=C1)[C@@H](CS(=O)(=O)C)N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)CO)O
  • Exact Mass: 462.10969
  • Molecular Formula: C21H22N2O8S
  • Compound CID: pubchemlite57524408 pubchem57524408
Hidden Reactions Filter Some biological reactions link very small precursors (e.g. CO₂, acetate) to much larger products. These reactions are correct, but they can create unrealistic shortest paths and connect otherwise separate parts of the graph. To keep the overview readable, FAIR-TPs hides six such reactions where a <60 Da precursor leads to a >300 Da product in the visualisations.

You can have all these paths in the download output.
Hidden reaction pairs (precursor → product):
  • Acetate → N-(2-benzoyl-4-chlorophenyl)-2-acetamidoacetamide
  • Acetate → N-(2-benzoyl-4-chlorophenyl)-2-acetamido-n-methylacetamide
  • Carbon dioxide → Formylmethanofuran
  • Acrolein → Chembl3706542
  • Ethylene oxide → Acetyl-coa
  • Formaldehyde → S-hydroxymethylglutathione
Note: In the graph output, up to 100 compounds are displayed for faster visualization. For the full output, please use the export files.

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