CID 139596296
- InChIKey: NRVWJZHPVAQKNS-ITYLOYPMSA-N
- InChI: InChI=1S/C21H16ClFN4O6/c1-29-26-18(21-27-31-10-9-30-21)12-5-2-3-7-14(12)32-19-17(23)20(25-11-24-19)33-15-8-4-6-13(28)16(15)22/h2-8,11,28H,9-10H2,1H3/b26-18-
- SMILES: CO/N=C(/C1=CC=CC=C1OC2=C(C(=NC=N2)OC3=CC=CC(=C3Cl)O)F)\C4=NOCCO4
- Exact Mass: 474.07424
- Molecular Formula: C21H16ClFN4O6
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Compound CID:
139596296
139596296
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.