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

Submission ID: 36L
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.46
• Compound probability: 0.27

List of identified carbohydrate fragments:

• C₈H₁₁O₁
  Fragment probability: 0.41
  Fragment mass: 113.13409999999999
  Fragment main chain atoms: [23, 34, 40]
  Fragment all atoms: [23, 3, 11, 51, 52, 53, 69, 8, 66, 34, 90, 24, 84, 4, 29, 54, 55, 56, 87, 40]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 53.0823
  Fragment main chain atoms: [1, 21]
  Fragment all atoms: [1, 45, 46, 47, 21]
  

• C₆H₉O₁
  Fragment probability: 0.46
  Fragment mass: 97.13470000000001
  Fragment main chain atoms: [7, 40, 34, 23]
  Fragment all atoms: [7, 63, 64, 65, 40, 34, 90, 24, 84, 4, 29, 54, 55, 56, 87, 23]
  

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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