(2s,3s,4s,5r)-6-[4-[2-(carboxymethyl)-4-hydroxyanilino]-3,5-dichlorophenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
- Other Name: (2S,3S,4S,5R)-6-[4-[2-(carboxymethyl)-4-hydroxyanilino]-3,5-dichlorophenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
- InChIKey: LCMVCHAFCNHEIV-BCHVZBRRSA-N
- InChI: InChI=1S/C20H19Cl2NO10/c21-10-5-9(32-20-17(29)15(27)16(28)18(33-20)19(30)31)6-11(22)14(10)23-12-2-1-8(24)3-7(12)4-13(25)26/h1-3,5-6,15-18,20,23-24,27-29H,4H2,(H,25,26)(H,30,31)/t15-,16-,17+,18-,20?/m0/s1
- SMILES: C1=CC(=C(C=C1O)CC(=O)O)NC2=C(C=C(C=C2Cl)OC3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)Cl
- Exact Mass: 503.03860
- Molecular Formula: C20H19Cl2NO10
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Compound CID:
154699762
154699762
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.