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

Submission ID: 0JG
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.75
• Compound probability: 0.38

List of identified carbohydrate fragments:

• C₂H₄O₁
  Fragment probability: 0.75
  Fragment mass: 71.0777
  Fragment main chain atoms: [9, 3]
  Fragment all atoms: [9, 42, 43, 27, 50, 3, 36]
  

• C₅H₆O₂
  Fragment probability: 0.50
  Fragment mass: 56.0631
  Fragment main chain atoms: [21, 29, 2]
  Fragment all atoms: [21, 15, 47, 11, 10, 44, 45, 28, 29, 2, 33, 34, 35]
  

• C₅H₃O₂
  Fragment probability: 0.35
  Fragment mass: 97.072
  Fragment main chain atoms: [21, 15, 11]
  Fragment all atoms: [21, 28, 29, 15, 47, 10, 44, 45, 16, 11]
  

• C₆H₆O₂
  Fragment probability: 0.42
  Fragment mass: 112.1064
  Fragment main chain atoms: [2, 29, 21, 15, 11]
  Fragment all atoms: [2, 33, 34, 35, 29, 21, 28, 15, 47, 10, 44, 45, 16, 11]
  

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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