Main compound image
simetryn-sulfonium
  • Other Name: Simetryn-sulfonium
  • InChIKey: NMBCYHFVAVLZIW-UHFFFAOYSA-N
  • InChI: InChI=1S/C9H18N5S/c1-5-10-7-12-8(11-6-2)14-9(13-7)15(3)4/h5-6H2,1-4H3,(H2,10,11,12,13,14)/q+1
  • SMILES: CCNC1=NC(=NC(=N1)[S+](C)C)NCC
  • Exact Mass: 228.12829
  • Molecular Formula: C9H18N5S+
  • Compound CID: pubchemlite177546092 pubchem177546092
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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