(3,3-dimethylpyrrolidin-1-yl)((2s,4s)-4-(4-(5-hydroxypyrimidin-2-yl)piperazin-1-yl)-1-((2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl)pyrrolidin-2-yl)methanone
- Other Name: (3,3-difluoropyrrolidin-1-yl)-[(2S,4S)-4-[4-(5-hydroxypyrimidin-2-yl)piperazin-1-yl]-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyrrolidin-2-yl]methanone
- InChIKey: ONLWTLFZJOTQDB-XABKIJIISA-N
- InChI: InChI=1S/C23H34F2N6O7/c24-23(25)1-2-30(12-23)20(37)15-7-13(10-31(15)21-19(36)18(35)17(34)16(11-32)38-21)28-3-5-29(6-4-28)22-26-8-14(33)9-27-22/h8-9,13,15-19,21,32-36H,1-7,10-12H2/t13-,15-,16+,17+,18-,19+,21+/m0/s1
- SMILES: C1CN(CC1(F)F)C(=O)[C@@H]2C[C@@H](CN2[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)N4CCN(CC4)C5=NC=C(C=N5)O
- Exact Mass: 544.24570
- Molecular Formula: C23H34F2N6O7
-
Compound CID:
118753279
118753279
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.