empagliflozin metabolite m482/1
- Other Name: (S)-3-(4-(2-Chloro-5-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)benzyl)phenoxy)-4-hydroxybutanoic Acid
- InChIKey: GHHGXSRQIRNVTA-YGYCNGQUSA-N
- InChI: InChI=1S/C23H27ClO9/c24-17-6-3-13(23-22(31)21(30)20(29)18(11-26)33-23)8-14(17)7-12-1-4-15(5-2-12)32-16(10-25)9-19(27)28/h1-6,8,16,18,20-23,25-26,29-31H,7,9-11H2,(H,27,28)/t16-,18+,20+,21-,22+,23-/m0/s1
- SMILES: C1=CC(=CC=C1CC2=C(C=CC(=C2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)Cl)O[C@@H](CC(=O)O)CO
- Exact Mass: 482.13436
- Molecular Formula: C23H27ClO9
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Compound CID:
169435693
169435693
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.