8:2 FTUCA-SCys
- InChIKey: CZJVLTRNGMEDJV-RJRFIUFISA-N
- InChI: InChI=1S/C13H8F15NO4S/c14-7(15,4(1-5(30)31)34-2-3(29)6(32)33)8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)28/h1,3H,2,29H2,(H,30,31)(H,32,33)/b4-1-
- SMILES: C(C(C(=O)O)N)S/C(=C\C(=O)O)/C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
- Exact Mass: 558.99345
- Molecular Formula: C13H8F15NO4S
-
Compound CID:
165362493
165362493
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.