Main compound image
1-[(2s)-4-(5-benzylthiophen-2-yl)but-3-yn-2-yl]-1-hydroxyurea
  • Other Name: 1-[(2S)-4-(5-benzylthiophen-2-yl)but-3-yn-2-yl]-1-hydroxyurea
  • InChIKey: JONJCOZHGBDTBN-LBPRGKRZSA-N
  • InChI: InChI=1S/C16H16N2O2S/c1-12(18(20)16(17)19)7-8-14-9-10-15(21-14)11-13-5-3-2-4-6-13/h2-6,9-10,12,20H,11H2,1H3,(H2,17,19)/t12-/m0/s1
  • SMILES: C[C@@H](C#CC1=CC=C(S1)CC2=CC=CC=C2)N(C(=O)N)O
  • Exact Mass: 300.09325
  • Molecular Formula: C16H16N2O2S
  • Compound CID: pubchemlite154699712 pubchem154699712
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.

Neighbours
All in View
Loading...