Main compound image
4:2 ftsoaos
  • Other Name: 2-[[3-[(Perfluorobutyl)ethylsulfinyl]-1-oxopropyl]amino]-2-methyl-1-propanesulfonic acid
  • InChIKey: WVSBUXQVQMSEID-UHFFFAOYSA-N
  • InChI: InChI=1S/C13H18F9NO5S2/c1-9(2,7-30(26,27)28)23-8(24)3-5-29(25)6-4-10(14,15)11(16,17)12(18,19)13(20,21)22/h3-7H2,1-2H3,(H,23,24)(H,26,27,28)
  • SMILES: CC(C)(CS(=O)(=O)O)NC(=O)CCS(=O)CCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
  • Exact Mass: 503.04827
  • Molecular Formula: C13H18F9NO5S2
  • Compound CID: pubchemlite139597752 pubchem139597752
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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