Main compound image
n-malonyl-n-(2,6-xylyl)-d-alanine m3
  • Other Name: N-(malonyl)-N-(2,6-xylyl)-DL-alanine
  • InChIKey: ZBHHMKQJXLOKMU-UHFFFAOYSA-N
  • InChI: InChI=1S/C14H17NO5/c1-8-5-4-6-9(2)13(8)15(10(3)14(19)20)11(16)7-12(17)18/h4-6,10H,7H2,1-3H3,(H,17,18)(H,19,20)
  • SMILES: CC1=C(C(=CC=C1)C)N(C(C)C(=O)O)C(=O)CC(=O)O
  • Exact Mass: 279.11067
  • Molecular Formula: C14H17NO5
  • Compound CID: pubchemlite13456436 pubchem13456436
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.

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