Main compound image
(2z)-2-[(4r)-1-[(1r)-2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4-sulfanylpiperidin-3-ylidene]acetaldehyde
  • Other Name: (2Z)-2-[(4R)-1-[(1R)-2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4-sulfanylpiperidin-3-ylidene]acetaldehyde
  • InChIKey: PRDQWPILASEJBX-QIXZXHIJSA-N
  • InChI: InChI=1S/C18H20FNO2S/c19-15-4-2-1-3-14(15)17(18(22)12-5-6-12)20-9-7-16(23)13(11-20)8-10-21/h1-4,8,10,12,16-17,23H,5-7,9,11H2/b13-8-/t16-,17-/m1/s1
  • SMILES: C1CN(C/C(=C/C=O)/[C@@H]1S)[C@H](C2=CC=CC=C2F)C(=O)C3CC3
  • Exact Mass: 333.11988
  • Molecular Formula: C18H20FNO2S
  • Compound CID: pubchemlite154699881 pubchem154699881
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.

Click on a node or edge to see details here.

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