Main compound image
b-hydroxy-homophe k11777
  • Other Name: N-[1-[[(E)-1-(benzenesulfonyl)-4-hydroxy-5-phenylpent-1-en-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]-4-methylpiperazine-1-carboxamide
  • InChIKey: XIKFDWPFDXTACE-OQKWZONESA-N
  • InChI: InChI=1S/C32H38N4O5S/c1-35-18-20-36(21-19-35)32(39)34-29(23-25-11-5-2-6-12-25)31(38)33-28(30(37)24-26-13-7-3-8-14-26)17-22-42(40,41)27-15-9-4-10-16-27/h2-17,22,28-30,37H,18-21,23-24H2,1H3,(H,33,38)(H,34,39)/b22-17+
  • SMILES: CN1CCN(CC1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(/C=C/S(=O)(=O)C3=CC=CC=C3)C(CC4=CC=CC=C4)O
  • Exact Mass: 590.25629
  • Molecular Formula: C32H38N4O5S
  • Compound CID: pubchemlite154700085 pubchem154700085
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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