Main compound image
753-a-oh
  • Other Name: N-[2-(3-hydroxy-1,3-dimethylbutyl) thiophen-3-yl]-1-methyl-3-trifluoromethyl-1H-pyrazole-4-carboxamide
  • InChIKey: PTOONGKKGPZDRB-UHFFFAOYSA-N
  • InChI: InChI=1S/C16H20F3N3O2S/c1-9(7-15(2,3)24)12-11(5-6-25-12)20-14(23)10-8-22(4)21-13(10)16(17,18)19/h5-6,8-9,24H,7H2,1-4H3,(H,20,23)
  • SMILES: CC(CC(C)(C)O)C1=C(C=CS1)NC(=O)C2=CN(N=C2C(F)(F)F)C
  • Exact Mass: 375.12283
  • Molecular Formula: C16H20F3N3O2S
  • Compound CID: pubchemlite139596681 pubchem139596681
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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