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

Submission ID: L94
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.38
• Compound probability: 0.62

List of identified carbohydrate fragments:

• C₅H₉N₂
  Fragment probability: 0.38
  Fragment mass: 141.2135
  Fragment main chain atoms: [1, 23, 13, 5, 11, 21, 17]
  Fragment all atoms: [1, 25, 26, 27, 23, 13, 49, 50, 5, 37, 38, 11, 45, 46, 21, 17]
  

• C₅H₉N₂
  Fragment probability: 0.38
  Fragment mass: 141.2135
  Fragment main chain atoms: [2, 23, 13, 5, 11, 21, 17]
  Fragment all atoms: [2, 28, 29, 30, 23, 13, 49, 50, 5, 37, 38, 11, 45, 46, 21, 17]
  

• C₅H₉N₂
  Fragment probability: 0.38
  Fragment mass: 141.2135
  Fragment main chain atoms: [4, 24, 14, 6, 12, 22, 18]
  Fragment all atoms: [4, 34, 35, 36, 24, 14, 51, 52, 6, 39, 40, 12, 47, 48, 22, 18]
  

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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