beta-oxidation metabolite
- Other Name: (5R)-7-[(1S,2S,8S,8aR)-2-methyl-8-[(2S)-2-methylbutanoyl]oxy-6-oxo-2,7,8,8a-tetrahydro-1H-naphthalen-1-yl]-5-hydroxy-3-oxoheptanoic acid
- InChIKey: MDKKLGMBTLCUOE-GSZKFUDVSA-N
- InChI: InChI=1S/C23H32O7/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28/h5-6,9,13-14,16,19-20,22,24H,4,7-8,10-12H2,1-3H3,(H,27,28)/t13-,14-,16+,19-,20-,22-/m0/s1
- SMILES: CC[C@H](C)C(=O)O[C@H]1CC(=O)C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](CC(=O)CC(=O)O)O
- Exact Mass: 420.21480
- Molecular Formula: C23H32O7
-
Compound CID:
118753562
118753562
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.