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

Submission ID: BAF
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.56
• Compound probability: 0.89

List of identified carbohydrate fragments:

• C₆H₉N₃O₂
  Fragment probability: 0.43
  Fragment mass: 158.1779
  Fragment main chain atoms: [6, 12, 8, 14, 9, 7, 1]
  Fragment all atoms: [6, 34, 15, 12, 8, 36, 2, 22, 23, 24, 14, 9, 16, 7, 35, 13, 1, 19, 20, 21]
  

• C₃H₅N₂O₁
  Fragment probability: 0.44
  Fragment mass: 87.10020000000002
  Fragment main chain atoms: [6, 12, 8, 2]
  Fragment all atoms: [6, 34, 15, 12, 8, 36, 14, 2, 22, 23, 24]
  

• C₄H₉O₁
  Fragment probability: 0.56
  Fragment mass: 57.113899999999994
  Fragment main chain atoms: [3, 11, 4]
  Fragment all atoms: [3, 25, 26, 27, 11, 5, 31, 32, 33, 18, 4, 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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