it-11
- Other Name: Amisulbrom metabolite IT-11
- InChIKey: LEIMSWOWULCTBZ-UHFFFAOYSA-N
- InChI: InChI=1S/C13H14FN5O6S2/c1-13(21)11(20)9-5-4-8(14)6-10(9)19(13)26(22,23)12-15-7-18(16-12)27(24,25)17(2)3/h4-7,21H,1-3H3
- SMILES: CC1(C(=O)C2=C(N1S(=O)(=O)C3=NN(C=N3)S(=O)(=O)N(C)C)C=C(C=C2)F)O
- Exact Mass: 419.03695
- Molecular Formula: C13H14FN5O6S2
-
Compound CID:
102147026
102147026
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.