(2s,3s,4s,5r,6s)-6-(2-(4-((3s,5s)-5-(3,3-difluoropyrrolidine-1-carbonyl)pyrrolidin-3-yl)piperazin-1-yl)pyrimidin-5-yloxy)-3,4,5-trihydroxytetrahydro-2h-pyran-2-carboxylic acid
- Other Name: (2S,3S,4S,5R,6S)-6-[2-[4-[(3S,5S)-5-(3,3-difluoropyrrolidine-1-carbonyl)pyrrolidin-3-yl]piperazin-1-yl]pyrimidin-5-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
- InChIKey: OFCOQPDZTSRMKF-OGEQHTNRSA-N
- InChI: InChI=1S/C23H32F2N6O8/c24-23(25)1-2-31(11-23)19(35)14-7-12(8-26-14)29-3-5-30(6-4-29)22-27-9-13(10-28-22)38-21-17(34)15(32)16(33)18(39-21)20(36)37/h9-10,12,14-18,21,26,32-34H,1-8,11H2,(H,36,37)/t12-,14-,15-,16-,17+,18-,21+/m0/s1
- SMILES: C1CN(CC1(F)F)C(=O)[C@@H]2C[C@@H](CN2)N3CCN(CC3)C4=NC=C(C=N4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O
- Exact Mass: 558.22497
- Molecular Formula: C23H32F2N6O8
-
Compound CID:
118753098
118753098
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.