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

Submission ID: 6W5
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.62
• Compound probability: 0.58

List of identified carbohydrate fragments:

• C₆H₁₀N₁O₃
  Fragment probability: 0.62
  Fragment mass: 130.1414
  Fragment main chain atoms: [9, 14, 12, 13]
  Fragment all atoms: [9, 44, 45, 25, 14, 2, 3, 29, 30, 31, 32, 33, 34, 12, 46, 20, 50, 13, 21, 17]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 55.0552
  Fragment main chain atoms: [1, 4]
  Fragment all atoms: [1, 27, 28, 4, 35]
  

• C₃H₃N₁O₁
  Fragment probability: 0.36
  Fragment mass: 55.0552
  Fragment main chain atoms: [1, 4, 10]
  Fragment all atoms: [1, 27, 28, 4, 35, 10, 18, 15]
  

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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