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

Submission ID: 9YP
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.61
• Compound probability: 0.32

List of identified carbohydrate fragments:

• C₆H₁₁O₁
  Fragment probability: 0.54
  Fragment mass: 71.0975
  Fragment main chain atoms: [1, 25, 4]
  Fragment all atoms: [1, 29, 30, 2, 31, 32, 25, 4, 35, 36, 8, 42, 3, 5, 33, 34, 37, 38]
  

• C₆H₁₁N₁O₂
  Fragment probability: 0.58
  Fragment mass: 129.1566
  Fragment main chain atoms: [1, 25, 4, 8, 5]
  Fragment all atoms: [1, 29, 30, 2, 31, 32, 25, 4, 35, 36, 8, 42, 3, 33, 34, 17, 5, 37, 38, 26]
  

• C₄H₇N₁O₂
  Fragment probability: 0.61
  Fragment mass: 101.10359999999999
  Fragment main chain atoms: [4, 8, 5]
  Fragment all atoms: [4, 35, 36, 25, 8, 42, 3, 33, 34, 17, 5, 37, 38, 26]
  

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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