apremilast metabolite m21
- Other Name: (S)-N-{2-[1-(3,4-dihydroxy-phenyl)-2-methanesulfonyl-ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}-2-hydroxy-acetamide
- InChIKey: QDXBFGPTCLXDON-CYBMUJFWSA-N
- InChI: InChI=1S/C19H18N2O8S/c1-30(28,29)9-13(10-5-6-14(23)15(24)7-10)21-18(26)11-3-2-4-12(17(11)19(21)27)20-16(25)8-22/h2-7,13,22-24H,8-9H2,1H3,(H,20,25)/t13-/m1/s1
- SMILES: CS(=O)(=O)C[C@H](C1=CC(=C(C=C1)O)O)N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)CO
- Exact Mass: 434.07839
- Molecular Formula: C19H18N2O8S
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Compound CID:
57524407
57524407
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.