UK-150564
- InChIKey: DBBKIQJKMPUJFA-UHFFFAOYSA-N
- InChI: InChI=1S/C20H28N6O4S/c1-5-7-15-17-18(26(4)25-15)20(27)24-19(23-17)14-12-13(8-9-16(14)30-6-2)31(28,29)22-11-10-21-3/h8-9,12,21-22H,5-7,10-11H2,1-4H3,(H,23,24,27)
- SMILES: CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)NCCNC)OCC)C
- Exact Mass: 448.18927
- Molecular Formula: C20H28N6O4S
-
Compound CID:
135539056
135539056
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.