6-hydroxymethyletoricoxib-1'-n'-oxide
- Other Name: 6'-Desmethyl-6'-methylhydroxy etoricoxib N1'-oxide
- InChIKey: SSTJTMIIIMAQMR-UHFFFAOYSA-N
- InChI: InChI=1S/C18H15ClN2O4S/c1-26(24,25)16-6-3-12(4-7-16)17-8-14(19)9-20-18(17)13-2-5-15(11-22)21(23)10-13/h2-10,22H,11H2,1H3
- SMILES: CS(=O)(=O)C1=CC=C(C=C1)C2=C(N=CC(=C2)Cl)C3=C[N+](=C(C=C3)CO)[O-]
- Exact Mass: 390.04411
- Molecular Formula: C18H15ClN2O4S
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Compound CID:
154731560
154731560
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.