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

Submission ID: JSZ
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.75
• Compound probability: 0.58

List of identified carbohydrate fragments:

• C₃H₅O₂
  Fragment probability: 0.75
  Fragment mass: 85.08109999999999
  Fragment main chain atoms: [5, 22, 18]
  Fragment all atoms: [5, 37, 38, 1, 25, 26, 27, 22, 18, 21]
  

• C₆H₁₃N₁O₂
  Fragment probability: 0.58
  Fragment mass: 132.18030000000002
  Fragment main chain atoms: [10, 13, 9, 19, 11, 2]
  Fragment all atoms: [10, 44, 45, 23, 13, 47, 20, 49, 9, 42, 43, 19, 11, 46, 3, 31, 32, 33, 2, 28, 29, 30]
  

• C₃H₇N₁
  Fragment probability: 0.36
  Fragment mass: 58.102
  Fragment main chain atoms: [2, 11, 3]
  Fragment all atoms: [2, 28, 29, 30, 11, 46, 19, 3, 31, 32, 33]
  

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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