Main compound image
15-alpha-hydroxydesogestrel
  • Other Name: (8R,9S,10R,13S,14S,15S,17R)-13-ethyl-17-ethynyl-11-methylidene-1,2,3,6,7,8,9,10,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-15,17-diol
  • InChIKey: RWVQLLLACWCLQR-XITVERIXSA-N
  • InChI: InChI=1S/C22H30O2/c1-4-21-12-14(3)19-16-9-7-6-8-15(16)10-11-17(19)20(21)18(23)13-22(21,24)5-2/h2,8,16-20,23-24H,3-4,6-7,9-13H2,1H3/t16-,17+,18-,19+,20+,21-,22-/m0/s1
  • SMILES: CC[C@]12CC(=C)[C@H]3[C@H]([C@@H]1[C@H](C[C@]2(C#C)O)O)CCC4=CCCC[C@H]34
  • Exact Mass: 326.22458
  • Molecular Formula: C22H30O2
  • Compound CID: pubchemlite154699940 pubchem154699940
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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