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

Submission ID: CHW
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.58
• Compound probability: 0.42

List of identified carbohydrate fragments:

• C₆H₁₁O₁
  Fragment probability: 0.54
  Fragment mass: 85.124
  Fragment main chain atoms: [12, 14, 22]
  Fragment all atoms: [12, 7, 2, 41, 5, 37, 38, 28, 29, 30, 14, 46, 4, 34, 35, 36, 22, 47]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 54.090199999999996
  Fragment main chain atoms: [1, 11]
  Fragment all atoms: [1, 25, 26, 27, 11]
  

• C₃H₅O₁
  Fragment probability: 0.58
  Fragment mass: 85.12400000000001
  Fragment main chain atoms: [4, 14, 12]
  Fragment all atoms: [4, 34, 35, 36, 14, 46, 22, 47, 12]
  

• C₄H₅
  Fragment probability: 0.31
  Fragment mass: 84.1161
  Fragment main chain atoms: [7, 12]
  Fragment all atoms: [7, 41, 5, 37, 38, 6, 39, 40, 12]
  

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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