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

Submission ID: 3ZJ
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.83
• Compound probability: 0.30

List of identified carbohydrate fragments:

• C₃H₆O₂
  Fragment probability: 0.83
  Fragment mass: 74.0783
  Fragment main chain atoms: [13, 8, 14]
  Fragment all atoms: [13, 59, 60, 34, 8, 53, 54, 14, 61, 62, 36]
  

• C₃H₇N₁
  Fragment probability: 0.36
  Fragment mass: 57.0941
  Fragment main chain atoms: [1, 20, 2]
  Fragment all atoms: [1, 38, 39, 40, 20, 72, 30, 2, 41, 42, 43]
  

• C₄H₇N₁O₁
  Fragment probability: 0.50
  Fragment mass: 109.14869999999999
  Fragment main chain atoms: [1, 20, 30, 27]
  Fragment all atoms: [1, 38, 39, 40, 20, 72, 2, 41, 42, 43, 30, 27, 31]
  

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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