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

Submission ID: 19L
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.50
• Compound probability: 0.43

List of identified carbohydrate fragments:

• C₇H₈N₂O₄
  Fragment probability: 0.50
  Fragment mass: 174.1542
  Fragment main chain atoms: [8, 14, 18, 26, 12, 20]
  Fragment all atoms: [8, 44, 45, 30, 54, 14, 47, 27, 18, 32, 26, 12, 46, 5, 40, 41, 9, 20, 34, 35, 55]
  

• C₄H₄N₂O₃
  Fragment probability: 0.50
  Fragment mass: 125.1052
  Fragment main chain atoms: [8, 14, 27, 17]
  Fragment all atoms: [8, 44, 45, 30, 54, 14, 47, 18, 32, 26, 27, 17, 31]
  

• C₈H₈N₂O₅
  Fragment probability: 0.50
  Fragment mass: 212.18229999999997
  Fragment main chain atoms: [20, 12, 26, 18, 14, 27, 17]
  Fragment all atoms: [20, 34, 35, 55, 12, 46, 5, 40, 41, 9, 26, 18, 32, 14, 47, 8, 44, 45, 30, 54, 27, 17, 31]
  

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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