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

Submission ID: LYD
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.59
• Compound probability: 0.34

List of identified carbohydrate fragments:

• C₅H₉N₁O₂
  Fragment probability: 0.59
  Fragment mass: 116.13800000000002
  Fragment main chain atoms: [19, 15, 10, 1]
  Fragment all atoms: [19, 28, 29, 52, 15, 46, 23, 10, 45, 2, 33, 34, 35, 1, 30, 31, 32]
  

• C₆H₉N₁O₃
  Fragment probability: 0.58
  Fragment mass: 110.09060000000001
  Fragment main chain atoms: [19, 15, 23, 17]
  Fragment all atoms: [19, 28, 29, 52, 15, 46, 10, 45, 1, 2, 30, 31, 32, 33, 34, 35, 23, 17, 26]
  

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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