(2s,3s,4s,5r)-3,4,5-trihydroxy-6-[2-[4-(3-methylthiophen-2-yl)phenyl]propanoyloxy]oxane-2-carboxylic acid
- Other Name: (2S,3S,4S,5R)-3,4,5-trihydroxy-6-[2-[4-(3-methylthiophen-2-yl)phenyl]propanoyloxy]oxane-2-carboxylic acid
- InChIKey: TZCRTEBIDCXWQB-UPPKGEOUSA-N
- InChI: InChI=1S/C20H22O8S/c1-9-7-8-29-17(9)12-5-3-11(4-6-12)10(2)19(26)28-20-15(23)13(21)14(22)16(27-20)18(24)25/h3-8,10,13-16,20-23H,1-2H3,(H,24,25)/t10?,13-,14-,15+,16-,20?/m0/s1
- SMILES: CC1=C(SC=C1)C2=CC=C(C=C2)C(C)C(=O)OC3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O
- Exact Mass: 422.10354
- Molecular Formula: C20H22O8S
-
Compound CID:
154699980
154699980
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.