(2s,3s,4s,5r,6s)-6-((2s,4s)-2-(3,3-difluoropyrrolidine-1-carbonyl)-4-(4-(5-hydroxypyrimidin-2-yl)piperazin-1-yl)pyrrolidine-1-carbonyloxy)-3,4,5-trihydroxytetrahydro-2h-pyran-2-carboxylic acid
- Other Name: (2S,3S,4S,5R,6S)-6-[(2S,4S)-2-(3,3-difluoropyrrolidine-1-carbonyl)-4-[4-(5-hydroxypyrimidin-2-yl)piperazin-1-yl]pyrrolidine-1-carbonyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
- InChIKey: FQROQANSKAURFV-AKCVAETKSA-N
- InChI: InChI=1S/C24H32F2N6O10/c25-24(26)1-2-31(11-24)19(37)14-7-12(29-3-5-30(6-4-29)22-27-8-13(33)9-28-22)10-32(14)23(40)42-21-17(36)15(34)16(35)18(41-21)20(38)39/h8-9,12,14-18,21,33-36H,1-7,10-11H2,(H,38,39)/t12-,14-,15-,16-,17+,18-,21-/m0/s1
- SMILES: C1CN(CC1(F)F)C(=O)[C@@H]2C[C@@H](CN2C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)N4CCN(CC4)C5=NC=C(C=N5)O
- Exact Mass: 602.21480
- Molecular Formula: C24H32F2N6O10
-
Compound CID:
118753347
118753347
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.