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

Submission ID: HWV
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.50
• Compound probability: 0.33

List of identified carbohydrate fragments:

• C₃H₅N₁O₁
  Fragment probability: 0.50
  Fragment mass: 83.1115
  Fragment main chain atoms: [1, 7, 30, 26]
  Fragment all atoms: [1, 37, 38, 39, 7, 55, 56, 30, 26, 33]
  

• C₆H₉O₁
  Fragment probability: 0.46
  Fragment mass: 54.090199999999996
  Fragment main chain atoms: [4, 28, 5]
  Fragment all atoms: [4, 46, 47, 48, 28, 17, 8, 12, 57, 61, 35, 66, 5, 49, 50, 51]
  

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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