it-2
- Other Name: Amisulbrom metabolite IT-2
- InChIKey: SNQUSJQSAWQBAO-UHFFFAOYSA-N
- InChI: InChI=1S/C13H13BrFN5O5S2/c1-18(2)27(24,25)19-7-16-13(17-19)26(22,23)20-10-5-8(15)3-4-9(10)12(14)11(20)6-21/h3-5,7,21H,6H2,1-2H3
- SMILES: CN(C)S(=O)(=O)N1C=NC(=N1)S(=O)(=O)N2C3=C(C=CC(=C3)F)C(=C2CO)Br
- Exact Mass: 480.95255
- Molecular Formula: C13H13BrFN5O5S2
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Compound CID:
102147019
102147019
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.