6alpha-hydroxy-17beta-ethinylestradiol
- Other Name: (6S,8R,9S,13S,14S,17R)-17-ethynyl-8,13-dimethyl-6,7,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,6,17-triol
- InChIKey: QAPYNJHRINFWAG-SSFAQJFESA-N
- InChI: InChI=1S/C21H26O3/c1-4-21(24)10-8-18-19(2)12-17(23)15-11-13(22)5-6-14(15)16(19)7-9-20(18,21)3/h1,5-6,11,16-18,22-24H,7-10,12H2,2-3H3/t16-,17+,18+,19-,20+,21+/m1/s1
- SMILES: C[C@]12CC[C@@H]3C4=C(C=C(C=C4)O)[C@H](C[C@]3([C@@H]1CC[C@]2(C#C)O)C)O
- Exact Mass: 326.18819
- Molecular Formula: C21H26O3
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Compound CID:
154699892
154699892
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.
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.