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

Submission ID: 2SQ
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.56
• Compound probability: 0.36

List of identified carbohydrate fragments:

• C₈H₁₁N₁O₃
  Fragment probability: 0.50
  Fragment mass: 157.16669999999996
  Fragment main chain atoms: [25, 23, 33, 26, 2]
  Fragment all atoms: [25, 30, 31, 61, 23, 60, 21, 20, 28, 33, 26, 3, 4, 40, 41, 42, 43, 44, 45, 2, 37, 38, 39]
  

• C₄H₉O₁
  Fragment probability: 0.56
  Fragment mass: 57.113899999999994
  Fragment main chain atoms: [2, 26, 3]
  Fragment all atoms: [2, 37, 38, 39, 26, 4, 43, 44, 45, 33, 3, 40, 41, 42]
  

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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