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

Submission ID: LOH
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.83
• Compound probability: 0.92

List of identified carbohydrate fragments:

• C₆H₁₀N₁O₄
  Fragment probability: 0.69
  Fragment mass: 131.1295
  Fragment main chain atoms: [6, 4, 5, 3]
  Fragment all atoms: [6, 11, 12, 26, 4, 18, 8, 5, 19, 10, 25, 3, 17, 1, 13, 14, 2, 15, 16, 9, 24]
  

• C₃H₄N₁O₃
  Fragment probability: 0.83
  Fragment mass: 117.10300000000001
  Fragment main chain atoms: [6, 4, 5]
  Fragment all atoms: [6, 11, 12, 26, 4, 18, 8, 5, 19, 10, 25]
  

• C₆H₉N₁O₂
  Fragment probability: 0.50
  Fragment mass: 69.1048
  Fragment main chain atoms: [3, 5]
  Fragment all atoms: [3, 17, 1, 13, 14, 2, 15, 16, 9, 24, 5, 19, 4, 18, 6, 8, 10, 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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