(2s,3s,4s,5r)-6-[3-(carboxymethyl)-4-(2,6-dichloroanilino)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
- Other Name: (2S,3S,4S,5R)-6-[3-(carboxymethyl)-4-(2,6-dichloroanilino)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
- InChIKey: IDADOEOUYMZXRJ-BCHVZBRRSA-N
- InChI: InChI=1S/C20H19Cl2NO9/c21-10-2-1-3-11(22)14(10)23-12-5-4-9(6-8(12)7-13(24)25)31-20-17(28)15(26)16(27)18(32-20)19(29)30/h1-6,15-18,20,23,26-28H,7H2,(H,24,25)(H,29,30)/t15-,16-,17+,18-,20?/m0/s1
- SMILES: C1=CC(=C(C(=C1)Cl)NC2=C(C=C(C=C2)OC3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)CC(=O)O)Cl
- Exact Mass: 487.04369
- Molecular Formula: C20H19Cl2NO9
-
Compound CID:
154699669
154699669
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.