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

Submission ID: 4SF
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.93
• Compound probability: 1.00

List of identified carbohydrate fragments:

• C₅H₆O₂
  Fragment probability: 0.50
  Fragment mass: 85.08110000000002
  Fragment main chain atoms: [9, 7, 3]
  Fragment all atoms: [9, 12, 11, 29, 7, 5, 25, 8, 27, 3, 19, 20, 21]
  

• C₆H₇N₁O₂
  Fragment probability: 0.42
  Fragment mass: 113.11430000000003
  Fragment main chain atoms: [9, 7, 5]
  Fragment all atoms: [9, 12, 11, 29, 7, 3, 19, 20, 21, 5, 25, 8, 27, 6, 26, 10]
  

• C₂H₁O₂
  Fragment probability: 0.93
  Fragment mass: 85.08110000000002
  Fragment main chain atoms: [9, 7]
  Fragment all atoms: [9, 12, 11, 29, 7]
  

• C₆H₁₂N₁
  Fragment probability: 0.46
  Fragment mass: 81.11550000000001
  Fragment main chain atoms: [4, 10, 8, 5]
  Fragment all atoms: [4, 22, 23, 24, 10, 8, 27, 6, 26, 1, 2, 13, 14, 15, 16, 17, 18, 5, 25]
  

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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