3'-hydroxyphenylbutazone-c4-glucuronide metabolite
- Other Name: 4-[(3R,4S,5S,6S)-6-(dihydroxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-4-(3-hydroxybutyl)-1,2-diphenylpyrazolidine-3,5-dione
- InChIKey: QTAROIGQPRBGAX-QVKBUXFFSA-N
- InChI: InChI=1S/C25H30N2O10/c1-14(28)12-13-25(37-22-19(31)17(29)18(30)20(36-22)21(32)33)23(34)26(15-8-4-2-5-9-15)27(24(25)35)16-10-6-3-7-11-16/h2-11,14,17-22,28-33H,12-13H2,1H3/t14?,17-,18-,19+,20-,22?/m0/s1
- SMILES: CC(CCC1(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)O
- Exact Mass: 518.19005
- Molecular Formula: C25H30N2O10
-
Compound CID:
118753606
118753606
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.