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

Submission ID: BEP
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.56
• Compound probability: 0.33

List of identified carbohydrate fragments:

• C₇H₁₄N₁O₁
  Fragment probability: 0.53
  Fragment mass: 84.0963
  Fragment main chain atoms: [19, 27, 20]
  Fragment all atoms: [19, 56, 57, 21, 60, 1, 2, 28, 29, 30, 31, 32, 33, 27, 20, 58, 59, 24, 61, 18, 54, 55, 25]
  

• C₄H₉O₁
  Fragment probability: 0.56
  Fragment mass: 73.1133
  Fragment main chain atoms: [19, 21, 1]
  Fragment all atoms: [19, 56, 57, 27, 21, 60, 2, 31, 32, 33, 1, 28, 29, 30]
  

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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