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

Submission ID: 9BU
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.69
• Compound probability: 0.43

List of identified carbohydrate fragments:

• C₂H₃O₁
  Fragment probability: 0.62
  Fragment mass: 55.0552
  Fragment main chain atoms: [11, 10]
  Fragment all atoms: [11, 52, 53, 28, 10, 51]
  

• C₄H₇O₂
  Fragment probability: 0.69
  Fragment mass: 87.09690000000002
  Fragment main chain atoms: [22, 13, 1]
  Fragment all atoms: [22, 27, 28, 13, 55, 2, 32, 33, 34, 1, 29, 30, 31]
  

• C₆H₁₀O₂
  Fragment probability: 0.58
  Fragment mass: 80.0845
  Fragment main chain atoms: [22, 28, 11, 10]
  Fragment all atoms: [22, 13, 55, 2, 1, 32, 33, 34, 29, 30, 31, 27, 28, 11, 52, 53, 10, 51]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 54.090199999999996
  Fragment main chain atoms: [3, 14]
  Fragment all atoms: [3, 35, 36, 37, 14]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 54.090199999999996
  Fragment main chain atoms: [4, 15]
  Fragment all atoms: [4, 38, 39, 40, 15]
  

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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