n-desmethyl k-11777
- Other Name: N-[1-[[(E)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]piperazine-1-carboxamide
- InChIKey: NWGHXYFZUNRWJM-PTGBLXJZSA-N
- InChI: InChI=1S/C31H36N4O4S/c36-30(29(24-26-12-6-2-7-13-26)34-31(37)35-21-19-32-20-22-35)33-27(17-16-25-10-4-1-5-11-25)18-23-40(38,39)28-14-8-3-9-15-28/h1-15,18,23,27,29,32H,16-17,19-22,24H2,(H,33,36)(H,34,37)/b23-18+
- SMILES: C1CN(CCN1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CCC3=CC=CC=C3)/C=C/S(=O)(=O)C4=CC=CC=C4
- Exact Mass: 560.24573
- Molecular Formula: C31H36N4O4S
-
Compound CID:
154699829
154699829
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.