it-9
- Other Name: Amisulbrom metabolite IT-9
- InChIKey: GCSMTPCBJKWEJO-UHFFFAOYSA-N
- InChI: InChI=1S/C11H12FN5O6S2/c1-16(2)25(22,23)17-6-13-11(14-17)24(20,21)15-9-5-7(12)3-4-8(9)10(18)19/h3-6,15H,1-2H3,(H,18,19)
- SMILES: CN(C)S(=O)(=O)N1C=NC(=N1)S(=O)(=O)NC2=C(C=CC(=C2)F)C(=O)O
- Exact Mass: 393.02130
- Molecular Formula: C11H12FN5O6S2
-
Compound CID:
139595026
139595026
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.