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

Submission ID: 9HN
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.56
• Compound probability: 0.34

List of identified carbohydrate fragments:

• C₈H₁₃O₂
  Fragment probability: 0.53
  Fragment mass: 98.14260000000002
  Fragment main chain atoms: [26, 35, 27, 3]
  Fragment all atoms: [26, 20, 63, 8, 24, 54, 55, 64, 33, 35, 27, 5, 4, 47, 48, 49, 44, 45, 46, 3, 41, 42, 43]
  

• C₄H₉O₁
  Fragment probability: 0.56
  Fragment mass: 57.113899999999994
  Fragment main chain atoms: [3, 27, 4]
  Fragment all atoms: [3, 41, 42, 43, 27, 5, 47, 48, 49, 35, 4, 44, 45, 46]
  

• C₄H₆
  Fragment probability: 0.38
  Fragment mass: 41.0716
  Fragment main chain atoms: [1, 7]
  Fragment all atoms: [1, 36, 37, 7, 53, 8, 54, 55, 20, 63]
  

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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