(2S,3S,4S,5R,6S)-6-[5-[3-(3-amino-4-fluoro-1-pyridin-4-ylisoindol-1-yl)phenyl]imidazol-1-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
- InChIKey: PEQXSRCLULOZIP-BCXLBXEJSA-N
- InChI: InChI=1S/C28H24FN5O7/c29-18-6-2-5-17-20(18)25(30)33-28(17,15-7-9-31-10-8-15)16-4-1-3-14(11-16)19-12-32-13-34(19)41-27-23(37)21(35)22(36)24(40-27)26(38)39/h1-13,21-24,27,35-37H,(H2,30,33)(H,38,39)/t21-,22-,23+,24-,27-,28?/m0/s1
- SMILES: C1=CC(=CC(=C1)C2(C3=C(C(=CC=C3)F)C(=N2)N)C4=CC=NC=C4)C5=CN=CN5O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O
- Exact Mass: 561.16598
- Molecular Formula: C28H24FN5O7
-
Compound CID:
137656355
137656355
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.