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

Submission ID: BGT
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.56
• Compound probability: 0.71

List of identified carbohydrate fragments:

• C₇H₁₂N₁O₂
  Fragment probability: 0.53
  Fragment mass: 114.16510000000002
  Fragment main chain atoms: [8, 14, 9, 1]
  Fragment all atoms: [8, 6, 28, 4, 24, 25, 10, 13, 14, 9, 2, 3, 18, 19, 20, 21, 22, 23, 1, 15, 16, 17]
  

• C₄H₉O₁
  Fragment probability: 0.56
  Fragment mass: 57.113899999999994
  Fragment main chain atoms: [1, 9, 2]
  Fragment all atoms: [1, 15, 16, 17, 9, 3, 21, 22, 23, 14, 2, 18, 19, 20]
  

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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