it-5
- Other Name: Amisulbrom metabolite IT-5
- InChIKey: LJCWSMXSHGRQGY-UHFFFAOYSA-N
- InChI: InChI=1S/C11H8BrFN4O3S/c12-10-7-2-1-6(13)3-8(7)17(9(10)4-18)21(19,20)11-14-5-15-16-11/h1-3,5,18H,4H2,(H,14,15,16)
- SMILES: C1=CC2=C(C=C1F)N(C(=C2Br)CO)S(=O)(=O)C3=NC=NN3
- Exact Mass: 373.94845
- Molecular Formula: C11H8BrFN4O3S
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Compound CID:
102147022
102147022
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.