chembl4525802
- Other Name: (2S)-6-(2-hydroxyethyl)-2-(hydroxymethyl)-2,7-dimethyl-1-oxo-3H-indene-5-carboxylic acid
- InChIKey: AFKSLKMCRZFTDC-HNNXBMFYSA-N
- InChI: InChI=1S/C15H18O5/c1-8-10(3-4-16)11(14(19)20)5-9-6-15(2,7-17)13(18)12(8)9/h5,16-17H,3-4,6-7H2,1-2H3,(H,19,20)/t15-/m0/s1
- SMILES: CC1=C2C(=CC(=C1CCO)C(=O)O)C[C@@](C2=O)(C)CO
- Exact Mass: 278.11542
- Molecular Formula: C15H18O5
-
Compound CID:
155543839
155543839
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.