4'-hydroxynimesulide-glucuronide
- Other Name: 4'-Hydroxynimesulide-glucuronide
- InChIKey: PLRRJANQBNTMNC-XGUBDDBMSA-N
- InChI: InChI=1S/C20H22N2O12S/c1-35(31,32)21-12-7-2-9(22(29)30)8-13(12)33-10-3-5-11(6-4-10)34-19-14(20(27)28)15(23)16(24)17(25)18(19)26/h2-8,14-19,21,23-26H,1H3,(H,27,28)/t14-,15-,16+,17-,18?,19?/m1/s1
- SMILES: CS(=O)(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC2=CC=C(C=C2)OC3[C@@H]([C@H]([C@@H]([C@H](C3O)O)O)O)C(=O)O
- Exact Mass: 514.08935
- Molecular Formula: C20H22N2O12S
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Compound CID:
169502063
169502063
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.