(2s,3s,4s,5r)-6-[3-[2-(carboxymethoxy)-2-oxoethyl]-4-(2,6-dichloroanilino)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
- Other Name: (2S,3S,4S,5R)-6-[3-[2-(carboxymethoxy)-2-oxoethyl]-4-(2,6-dichloroanilino)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
- InChIKey: KIMYHIOPHVHXGR-QAKXDBDYSA-N
- InChI: InChI=1S/C22H21Cl2NO11/c23-11-2-1-3-12(24)16(11)25-13-5-4-10(6-9(13)7-15(28)34-8-14(26)27)35-22-19(31)17(29)18(30)20(36-22)21(32)33/h1-6,17-20,22,25,29-31H,7-8H2,(H,26,27)(H,32,33)/t17-,18-,19+,20-,22?/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)OCC(=O)O)Cl
- Exact Mass: 545.04917
- Molecular Formula: C22H21Cl2NO11
-
Compound CID:
154699740
154699740
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.