meta-o-dealkylated-glucuronide
- Other Name: Meta-O-dealkylated-glucuronide
- InChIKey: NCDHLUCHCWSKDS-ULPCFCOJSA-N
- InChI: InChI=1S/C21H27F3N2O9/c22-21(23,24)9-33-13-5-4-11(7-12(13)18(30)26-8-10-3-1-2-6-25-10)34-20-16(29)14(27)15(28)17(35-20)19(31)32/h4-5,7,10,14-17,20,25,27-29H,1-3,6,8-9H2,(H,26,30)(H,31,32)/t10?,14-,15-,16+,17-,20+/m0/s1
- SMILES: C1CCNC(C1)CNC(=O)C2=C(C=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)OCC(F)(F)F
- Exact Mass: 508.16686
- Molecular Formula: C21H27F3N2O9
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Compound CID:
169501998
169501998
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.