[(3R,8S,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-11-methylidene-1,2,3,6,7,8,9,10,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] hydrogen sulfate
- InChIKey: SFLFQWSDLZNFPJ-JASYKLOUSA-N
- InChI: InChI=1S/C22H30O5S/c1-4-21-13-14(3)20-17-9-7-16(27-28(24,25)26)12-15(17)6-8-18(20)19(21)10-11-22(21,23)5-2/h2,12,16-20,23H,3-4,6-11,13H2,1H3,(H,24,25,26)/t16-,17+,18+,19+,20-,21+,22+/m1/s1
- SMILES: CC[C@]12CC(=C)[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C[C@@H](CC[C@H]34)OS(=O)(=O)O
- Exact Mass: 406.18140
- Molecular Formula: C22H30O5S
-
Compound CID:
154699951
154699951
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.