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

Submission ID: 2JD
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.95
• Compound probability: 0.71

List of identified carbohydrate fragments:

• C₆H₁₁O₄
  Fragment probability: 0.79
  Fragment mass: 147.14870000000002
  Fragment main chain atoms: [3, 6, 4, 5]
  Fragment all atoms: [3, 21, 22, 13, 6, 1, 2, 15, 16, 17, 18, 19, 20, 4, 23, 7, 24, 5, 9, 8, 25]
  

• C₆H₁₀O₂
  Fragment probability: 0.58
  Fragment mass: 85.12400000000001
  Fragment main chain atoms: [3, 6, 1]
  Fragment all atoms: [3, 21, 22, 13, 6, 4, 2, 23, 5, 7, 24, 18, 19, 20, 1, 15, 16, 17]
  

• C₂H₂O₁
  Fragment probability: 0.50
  Fragment mass: 85.12400000000001
  Fragment main chain atoms: [3, 6]
  Fragment all atoms: [3, 21, 22, 13, 6]
  

• C₃H₃O₃
  Fragment probability: 0.95
  Fragment mass: 147.14870000000005
  Fragment main chain atoms: [5, 4, 6]
  Fragment all atoms: [5, 9, 8, 25, 4, 23, 7, 24, 6]
  

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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