5 alpha,3 alpha-tetrahydronorethindrone sulfate conjugate
- Other Name: 17Alpha-ethynyl-5alpha-estrane-3alpha,17beta-diol-3-sulfate
- InChIKey: CQXVLZHFSPUCGL-GAXNORQESA-N
- InChI: InChI=1S/C20H30O5S/c1-3-20(21)11-9-18-17-6-4-13-12-14(25-26(22,23)24)5-7-15(13)16(17)8-10-19(18,20)2/h1,13-18,21H,4-12H2,2H3,(H,22,23,24)/t13-,14+,15-,16+,17+,18-,19-,20-/m0/s1
- SMILES: C[C@]12CC[C@@H]3[C@H]4CC[C@H](C[C@@H]4CC[C@H]3[C@@H]1CC[C@]2(C#C)O)OS(=O)(=O)O
- Exact Mass: 382.18140
- Molecular Formula: C20H30O5S
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Compound CID:
122196597
122196597
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.