Main compound image
cga 289253
  • Other Name: 1-[3-(4-Tert-butylphenyl)-2-methylpropyl]-1-oxidopiperidin-1-ium
  • InChIKey: JPBLWGKRGFCKOC-UHFFFAOYSA-N
  • InChI: InChI=1S/C19H31NO/c1-16(15-20(21)12-6-5-7-13-20)14-17-8-10-18(11-9-17)19(2,3)4/h8-11,16H,5-7,12-15H2,1-4H3
  • SMILES: CC(CC1=CC=C(C=C1)C(C)(C)C)C[N+]2(CCCCC2)[O-]
  • Exact Mass: 289.24056
  • Molecular Formula: C19H31NO
  • Compound CID: pubchemlite20300953 pubchem20300953
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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