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

Submission ID: 25D
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.93
• Compound probability: 0.30

List of identified carbohydrate fragments:

• C₆H₉N₁O₂
  Fragment probability: 0.50
  Fragment mass: 85.08110000000002
  Fragment main chain atoms: [28, 30, 4]
  Fragment all atoms: [28, 36, 35, 72, 30, 23, 68, 12, 13, 60, 61, 62, 63, 33, 4, 47, 48, 49]
  

• C₇H₉N₁O₃
  Fragment probability: 0.50
  Fragment mass: 124.11710000000002
  Fragment main chain atoms: [28, 30, 33, 27]
  Fragment all atoms: [28, 36, 35, 72, 30, 23, 4, 68, 12, 13, 60, 61, 62, 63, 47, 48, 49, 33, 27, 34]
  

• C₂H₁O₂
  Fragment probability: 0.93
  Fragment mass: 85.08110000000002
  Fragment main chain atoms: [28, 30]
  Fragment all atoms: [28, 36, 35, 72, 30]
  

• C₂N₁O₁
  Fragment probability: 0.20
  Fragment mass: 91.11040000000001
  Fragment main chain atoms: [27, 33, 30]
  Fragment all atoms: [27, 34, 33, 30]
  

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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