Main compound image
Clozapine metabolite M3
  • InChIKey: YJJYKPCAQDDSGZ-UHFFFAOYSA-N
  • InChI: InChI=1S/C16H17ClN4/c1-18-8-9-19-16-12-4-2-3-5-13(12)20-14-7-6-11(17)10-15(14)21-16/h2-7,10,18,20H,8-9H2,1H3,(H,19,21)
  • SMILES: CNCCN=C1C2=CC=CC=C2NC3=C(N1)C=C(C=C3)Cl
  • Exact Mass: 300.11417
  • Molecular Formula: C16H17ClN4
  • Compound CID: pubchemlite135524869 pubchem135524869
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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