Main compound image
1-[4-carboxypropyl]-3,7-dimethylxanthine
  • Other Name: 1-(3'-Carboxypropyl)-3,7-dimethylxanthine
  • InChIKey: WKASGTGXOGALBG-UHFFFAOYSA-N
  • InChI: InChI=1S/C11H14N4O4/c1-13-6-12-9-8(13)10(18)15(11(19)14(9)2)5-3-4-7(16)17/h6H,3-5H2,1-2H3,(H,16,17)
  • SMILES: CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCC(=O)O
  • Exact Mass: 266.10150
  • Molecular Formula: C11H14N4O4
  • Compound CID: pubchemlite151419 pubchem151419
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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