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

Submission ID: D0S
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.46
• Compound probability: 0.31

List of identified carbohydrate fragments:

• C₆H₁₁N₂O₁
  Fragment probability: 0.46
  Fragment mass: 152.2163
  Fragment main chain atoms: [1, 4, 31, 17, 13, 27, 26]
  Fragment all atoms: [1, 37, 38, 39, 4, 46, 47, 31, 17, 64, 3, 43, 44, 45, 13, 57, 58, 27, 26, 35]
  

• C₆H₁₁N₂O₁
  Fragment probability: 0.46
  Fragment mass: 152.2163
  Fragment main chain atoms: [2, 5, 31, 17, 13, 27, 26]
  Fragment all atoms: [2, 40, 41, 42, 5, 48, 49, 31, 17, 64, 3, 43, 44, 45, 13, 57, 58, 27, 26, 35]
  

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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