4-[2-[(3r,4s,5s,6s)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]pyridine-2-carbonitrilium
- Other Name: 4-[2-[(3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]pyridine-2-carbonitrilium
- InChIKey: JKWKMCHCIBXGTI-ZBCYVVTKSA-O
- InChI: InChI=1S/C19H16N6O6/c20-8-11-7-10(3-6-22-11)17-23-16(9-1-4-21-5-2-9)24-25(17)18-14(28)12(26)13(27)15(31-18)19(29)30/h1-7,12-15,18,26-28H,(H,29,30)/p+1/t12-,13-,14+,15-,18?/m0/s1
- SMILES: C1=CN=CC=C1C2=NN(C(=N2)C3=CC(=NC=C3)C#[NH+])C4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O
- Exact Mass: 425.12096
- Molecular Formula: C19H17N6O6+
-
Compound CID:
154699707
154699707
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.