phenylbutazone-c4-glucuronide metabolite
- Other Name: (2S,3S,4S,5R)-6-(4-butyl-3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
- InChIKey: SNZHHTBLYLBORW-QAKXDBDYSA-N
- InChI: InChI=1S/C25H28N2O9/c1-2-3-14-25(36-22-19(30)17(28)18(29)20(35-22)21(31)32)23(33)26(15-10-6-4-7-11-15)27(24(25)34)16-12-8-5-9-13-16/h4-13,17-20,22,28-30H,2-3,14H2,1H3,(H,31,32)/t17-,18-,19+,20-,22?/m0/s1
- SMILES: CCCCC1(C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)OC4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O
- Exact Mass: 500.17948
- Molecular Formula: C25H28N2O9
-
Compound CID:
118753595
118753595
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.