(3,3-difluoropyrrolidin-1-yl)((2S,4S)-4-(4-(pyrimidin-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-pyrimidin-2-ylpiperazin-1-YL)-1-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-YL)pyrrolidin-2-YL)methanone
- InChIKey: XEPYKZIDLULSRS-OXZOJPPVSA-N
- InChI: InChI=1S/C23H34F2N6O6/c24-23(25)2-5-30(13-23)20(36)15-10-14(28-6-8-29(9-7-28)22-26-3-1-4-27-22)11-31(15)21-19(35)18(34)17(33)16(12-32)37-21/h1,3-4,14-19,21,32-35H,2,5-13H2/t14-,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=CC=N5
- Exact Mass: 528.25079
- Molecular Formula: C23H34F2N6O6
-
Compound CID:
118753339
118753339
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.