(2s,3s,4s,5r,6s)-6-(4-(4-fluoro-2-methyl-1h-indol-5-yloxy)-5-methylpyrrolo[1,2-f][1,2,4]triazin-6-yloxy)-3,4,5-trihydroxytetrahydro-2h-pyran-2-carboxylic acid
- Other Name: (2S,3S,4S,5R,6S)-6-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
- InChIKey: HWEJTMBUQWUDBA-KSSXRGRSSA-N
- InChI: InChI=1S/C22H21FN4O8/c1-8-5-10-11(26-8)3-4-12(14(10)23)33-20-15-9(2)13(6-27(15)25-7-24-20)34-22-18(30)16(28)17(29)19(35-22)21(31)32/h3-7,16-19,22,26,28-30H,1-2H3,(H,31,32)/t16-,17-,18+,19-,22+/m0/s1
- SMILES: CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C
- Exact Mass: 488.13434
- Molecular Formula: C22H21FN4O8
-
Compound CID:
118753004
118753004
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.