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

Submission ID: MEI
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.95
• Compound probability: 0.89

List of identified carbohydrate fragments:

• C₂H₂O₂
  Fragment probability: 0.95
  Fragment mass: 70.0467
  Fragment main chain atoms: [15, 12]
  Fragment all atoms: [15, 17, 18, 47, 12, 45]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 53.0823
  Fragment main chain atoms: [2, 14]
  Fragment all atoms: [2, 23, 24, 25, 14]
  

• C₅H₁₀O₁
  Fragment probability: 0.60
  Fragment mass: 56.105999999999995
  Fragment main chain atoms: [3, 16, 4]
  Fragment all atoms: [3, 26, 27, 28, 16, 11, 43, 44, 7, 36, 37, 19, 4, 29, 30, 31]
  

• C₆H₁₃O₁
  Fragment probability: 0.54
  Fragment mass: 87.1398
  Fragment main chain atoms: [3, 16, 19, 5]
  Fragment all atoms: [3, 26, 27, 28, 16, 4, 11, 29, 30, 31, 43, 44, 7, 36, 37, 19, 5, 32, 33, 34]
  

• C₄H₅
  Fragment probability: 0.31
  Fragment mass: 52.0744
  Fragment main chain atoms: [6, 9]
  Fragment all atoms: [6, 35, 8, 38, 39, 13, 46, 9, 40]
  

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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