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

Submission ID: REM
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.53
• Compound probability: 0.32

List of identified carbohydrate fragments:

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 57.113899999999994
  Fragment main chain atoms: [1, 33]
  Fragment all atoms: [1, 45, 46, 47, 33]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 57.113899999999994
  Fragment main chain atoms: [2, 33]
  Fragment all atoms: [2, 48, 49, 50, 33]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 57.113899999999994
  Fragment main chain atoms: [3, 33]
  Fragment all atoms: [3, 51, 52, 53, 33]
  

• C₇H₁₂N₁O₂
  Fragment probability: 0.53
  Fragment mass: 67.089
  Fragment main chain atoms: [29, 30]
  Fragment all atoms: [29, 88, 24, 84, 14, 15, 69, 70, 71, 72, 38, 93, 30, 89, 27, 86, 17, 75, 76, 36, 39, 94]
  

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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