n-desmethyleletriptan
- Other Name: (3S)-5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-pyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indole
- InChIKey: DZPWTXAGCISGJW-QZTJIDSGSA-N
- InChI: InChI=1S/C21H26N2O2S/c24-26(25,19-6-2-1-3-7-19)12-10-16-8-9-21-20(13-16)17(15-23-21)14-18-5-4-11-22-18/h1-3,6-9,13,17-18,22-23H,4-5,10-12,14-15H2/t17-,18-/m1/s1
- SMILES: C1C[C@@H](NC1)C[C@@H]2CNC3=C2C=C(C=C3)CCS(=O)(=O)C4=CC=CC=C4
- Exact Mass: 370.17150
- Molecular Formula: C21H26N2O2S
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Compound CID:
154699580
154699580
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.