delta-hydroxylation metabolite
- Other Name: (3R,5R)-7-[(1S,2S,8S,8aR)-8-[(2S)-4-hydroxy-2-methylbutanoyl]oxy-2-methyl-6-oxo-2,7,8,8a-tetrahydro-1H-naphthalen-1-yl]-3,5-dihydroxyheptanoic acid
- InChIKey: YQUSOTXSTWKUSR-YOMJSHEQSA-N
- InChI: InChI=1S/C23H34O8/c1-13-3-4-15-9-17(26)11-20(31-23(30)14(2)7-8-24)22(15)19(13)6-5-16(25)10-18(27)12-21(28)29/h3-4,9,13-14,16,18-20,22,24-25,27H,5-8,10-12H2,1-2H3,(H,28,29)/t13-,14-,16+,18+,19-,20-,22-/m0/s1
- SMILES: C[C@H]1C=CC2=CC(=O)C[C@@H]([C@@H]2[C@H]1CC[C@H](C[C@H](CC(=O)O)O)O)OC(=O)[C@@H](C)CCO
- Exact Mass: 438.22537
- Molecular Formula: C23H34O8
-
Compound CID:
118753564
118753564
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.