(2s,3s,4s,5r)-6-[[5-chloro-4-(4,5-dihydro-1h-imidazol-2-ylamino)-2,1,3-benzothiadiazol-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
- Other Name: (2S,3S,4S,5R)-6-[[5-chloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)-2,1,3-benzothiadiazol-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
- InChIKey: IGBNEBKYFXFREK-ZAOAHOKWSA-N
- InChI: InChI=1S/C15H16ClN5O7S/c16-4-3-5(27-14-11(24)9(22)10(23)12(28-14)13(25)26)7-8(21-29-20-7)6(4)19-15-17-1-2-18-15/h3,9-12,14,22-24H,1-2H2,(H,25,26)(H2,17,18,19)/t9-,10-,11+,12-,14?/m0/s1
- SMILES: C1CN=C(N1)NC2=C(C=C(C3=NSN=C23)OC4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)Cl
- Exact Mass: 445.04590
- Molecular Formula: C15H16ClN5O7S
-
Compound CID:
154699676
154699676
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.