apremilast metabolite m15
- Other Name: 4-((1S)-1-((3-(Acetylamino)-2-carboxybenzoyl)amino)-2-(methylsulfonyl)ethyl)-2-ethoxyphenyl-beta-D-glucopyranosiduronic acid
- InChIKey: BEMHBAMCTAUZIO-RWIDXYMRSA-N
- InChI: InChI=1S/C27H32N2O14S/c1-4-41-18-10-13(8-9-17(18)42-27-22(33)20(31)21(32)23(43-27)26(37)38)16(11-44(3,39)40)29-24(34)14-6-5-7-15(28-12(2)30)19(14)25(35)36/h5-10,16,20-23,27,31-33H,4,11H2,1-3H3,(H,28,30)(H,29,34)(H,35,36)(H,37,38)/t16-,20+,21+,22-,23+,27-/m1/s1
- SMILES: CCOC1=C(C=CC(=C1)[C@@H](CS(=O)(=O)C)NC(=O)C2=C(C(=CC=C2)NC(=O)C)C(=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O
- Exact Mass: 640.15742
- Molecular Formula: C27H32N2O14S
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Compound CID:
91810684
91810684
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.