(2s,3s,4s,5r)-3,4,5-trihydroxy-6-[2-methyl-2-[4-(3-methylthiophen-2-yl)phenyl]propanoyl]oxyoxane-2-carboxylic acid
- Other Name: (2S,3S,4S,5R)-3,4,5-trihydroxy-6-[2-methyl-2-[4-(3-methylthiophen-2-yl)phenyl]propanoyl]oxyoxane-2-carboxylic acid
- InChIKey: MWJGLEGMDVXLIO-JKPQCYAASA-N
- InChI: InChI=1S/C21H24O8S/c1-10-8-9-30-17(10)11-4-6-12(7-5-11)21(2,3)20(27)29-19-15(24)13(22)14(23)16(28-19)18(25)26/h4-9,13-16,19,22-24H,1-3H3,(H,25,26)/t13-,14-,15+,16-,19?/m0/s1
- SMILES: CC1=C(SC=C1)C2=CC=C(C=C2)C(C)(C)C(=O)OC3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O
- Exact Mass: 436.11919
- Molecular Formula: C21H24O8S
-
Compound CID:
154699805
154699805
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.