(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(2S,3S,4S,5R,6S)-6-((2S,4S)-2-(3,3-difluoropyrrolidine-1-carbonyl)-4-(4-(pyrimidin-2-yl)piperazin-1-yl)pyrrolidine-1-carbonyloxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
- Other Name: beta-D-Glucopyranuronic acid, 1-((2S,4S)-2-((3,3-difluoro-1-pyrrolidinyl)carbonyl)-4-(4-(2-pyrimidinyl)-1-piperazinyl)-1-pyrrolidinecarboxylate)
- InChIKey: WJFYIIZQOWPJRA-LPRKUSKOSA-N
- InChI: InChI=1S/C24H32F2N6O9/c25-24(26)2-5-31(12-24)19(36)14-10-13(29-6-8-30(9-7-29)22-27-3-1-4-28-22)11-32(14)23(39)41-21-17(35)15(33)16(34)18(40-21)20(37)38/h1,3-4,13-18,21,33-35H,2,5-12H2,(H,37,38)/t13-,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=CC=N5
- Exact Mass: 586.21988
- Molecular Formula: C24H32F2N6O9
-
Compound CID:
118753123
118753123
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.