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

Submission ID: LYH
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.50
• Compound probability: 0.90

List of identified carbohydrate fragments:

• C₆H₈N₁O₂
  Fragment probability: 0.46
  Fragment mass: 114.1222
  Fragment main chain atoms: [6, 5, 3, 1]
  Fragment all atoms: [6, 9, 10, 22, 5, 17, 8, 3, 14, 1, 11, 2, 12, 13, 4, 15, 16]
  

• C₃H₃N₁O₂
  Fragment probability: 0.50
  Fragment mass: 100.09570000000001
  Fragment main chain atoms: [6, 5, 3]
  Fragment all atoms: [6, 9, 10, 22, 5, 17, 8, 3, 14]
  

• C₆H₇N₁
  Fragment probability: 0.27
  Fragment mass: 69.1048
  Fragment main chain atoms: [1, 3]
  Fragment all atoms: [1, 11, 2, 12, 13, 4, 15, 16, 3, 14, 5, 17, 6, 8]
  

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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