(2s,3s,4s,5r)-6-[3-(2-cyanopyridin-4-yl)-5-pyridin-4-yl-1,2,4-triazol-1-yl]-3,4,5-trihydroxyoxane-2-carboxylic acid
- Other Name: (2S,3S,4S,5R)-6-[3-(2-cyano-4-pyridinyl)-5-pyridin-4-yl-1,2,4-triazol-1-yl]-3,4,5-trihydroxyoxane-2-carboxylic acid
- InChIKey: PXFJUSGWRQLDOE-ZBCYVVTKSA-N
- InChI: InChI=1S/C19H16N6O6/c20-8-11-7-10(3-6-22-11)16-23-17(9-1-4-21-5-2-9)25(24-16)18-14(28)12(26)13(27)15(31-18)19(29)30/h1-7,12-15,18,26-28H,(H,29,30)/t12-,13-,14+,15-,18?/m0/s1
- SMILES: C1=CN=CC=C1C2=NC(=NN2C3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)C4=CC(=NC=C4)C#N
- Exact Mass: 424.11313
- Molecular Formula: C19H16N6O6
-
Compound CID:
154699889
154699889
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.