it-14
- Other Name: Amisulbrom metabolite IT-14
- InChIKey: XLPZMZZJEUSTNC-UHFFFAOYSA-N
- InChI: InChI=1S/C12H10BrFN4O2S/c1-7-11(13)9-4-3-8(14)5-10(9)18(7)21(19,20)12-15-6-17(2)16-12/h3-6H,1-2H3
- SMILES: CC1=C(C2=C(N1S(=O)(=O)C3=NN(C=N3)C)C=C(C=C2)F)Br
- Exact Mass: 371.96919
- Molecular Formula: C12H10BrFN4O2S
-
Compound CID:
139597847
139597847
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.