• Example saccharides
• Example non-saccharides
• RCSB Ligand Expo entries
• Saccharide entries in Ligand Expo
• Saccharide fingerprints

Submission ID: 5KL
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.40
• Compound probability: 0.57

List of identified carbohydrate fragments:

• C₅H₅N₁O₁
  Fragment probability: 0.32
  Fragment mass: 112.12950000000001
  Fragment main chain atoms: [1, 12, 8, 7]
  Fragment all atoms: [1, 15, 16, 17, 12, 8, 26, 7, 25, 11, 9, 14]
  

• C₄H₅N₁O₁
  Fragment probability: 0.39
  Fragment mass: 108.14080000000001
  Fragment main chain atoms: [1, 12, 8, 7, 11]
  Fragment all atoms: [1, 15, 16, 17, 12, 8, 26, 7, 25, 11, 14]
  

• C₂H₄N₁
  Fragment probability: 0.40
  Fragment mass: 84.11940000000001
  Fragment main chain atoms: [2, 12, 8]
  Fragment all atoms: [2, 18, 19, 20, 12, 8, 26]
  

• C₄H₅N₁O₁
  Fragment probability: 0.39
  Fragment mass: 108.14080000000001
  Fragment main chain atoms: [2, 12, 8, 7, 11]
  Fragment all atoms: [2, 18, 19, 20, 12, 8, 26, 7, 25, 11, 14]
  

• C₂H₁O₁
  Fragment probability: 0.38
  Fragment mass: 64.06530000000001
  Fragment main chain atoms: [7, 11]
  Fragment all atoms: [7, 25, 11, 14]
  

• C₃H₂N₁O₁
  Fragment probability: 0.29
  Fragment mass: 64.06530000000001
  Fragment main chain atoms: [8, 7, 11]
  Fragment all atoms: [8, 26, 12, 7, 25, 11, 14]
  

Most similar ligands:

Citation:

• Hesam Dashti, William M. Westler, Jonathan R. Wedell, Olga V. Demler, Hamid R. Eghbalnia, John L. Markley & Samia Mora, Probabilistic identification of saccharide moieties in biomolecules and their protein complexes, Scientific Data volume 7, Article number: 210 (2020), https://doi.org/10.1038/s41597-020-0547-y, https://www.nature.com/articles/s41597-020-0547-y

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