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

Submission ID: YZE
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.53
• Compound probability: 0.59

List of identified carbohydrate fragments:

• C₉H₁₁N₂O₅
  Fragment probability: 0.53
  Fragment mass: 202.16430000000003
  Fragment main chain atoms: [17, 14, 22, 19, 23, 15, 18]
  Fragment all atoms: [17, 26, 25, 52, 14, 47, 5, 37, 38, 2, 32, 22, 19, 29, 23, 15, 48, 6, 39, 40, 3, 33, 34, 18, 27, 28, 53]
  

• C₄H₆
  Fragment probability: 0.38
  Fragment mass: 41.0716
  Fragment main chain atoms: [1, 2]
  Fragment all atoms: [1, 30, 31, 2, 32, 5, 37, 38, 14, 47]
  

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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