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

Submission ID: 0QG
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.58
• Compound probability: 0.54

List of identified carbohydrate fragments:

• C₆H₁₁N₁O₂
  Fragment probability: 0.58
  Fragment mass: 115.13010000000001
  Fragment main chain atoms: [16, 12, 10, 2]
  Fragment all atoms: [16, 23, 24, 55, 12, 50, 19, 10, 48, 6, 40, 41, 1, 25, 26, 27, 2, 28, 29, 30]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 70.13250000000001
  Fragment main chain atoms: [3, 17]
  Fragment all atoms: [3, 31, 32, 33, 17]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 70.13250000000001
  Fragment main chain atoms: [4, 17]
  Fragment all atoms: [4, 34, 35, 36, 17]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 70.13250000000001
  Fragment main chain atoms: [5, 17]
  Fragment all atoms: [5, 37, 38, 39, 17]
  

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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