Main compound image
dehydrohydroxyethyl-simetryn
  • Other Name: Dehydrohydroxyethyl-simetryn
  • InChIKey: CPRGZMYHNXPRDA-UHFFFAOYSA-N
  • InChI: InChI=1S/C8H17N5OS/c1-3-9-6-11-7(10-4-5-14)13-8(12-6)15-2/h8,14H,3-5H2,1-2H3,(H3,9,10,11,12,13)
  • SMILES: CCN=C1NC(NC(=NCCO)N1)SC
  • Exact Mass: 231.11538
  • Molecular Formula: C8H17N5OS
  • Compound CID: pubchemlite177546075 pubchem177546075
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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