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

Submission ID: 169
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.54
• Compound probability: 0.50

List of identified carbohydrate fragments:

• C₆H₈N₁O₃
  Fragment probability: 0.54
  Fragment mass: 129.11370000000002
  Fragment main chain atoms: [11, 12, 13, 14]
  Fragment all atoms: [11, 54, 26, 12, 55, 5, 42, 43, 4, 40, 41, 13, 56, 22, 14, 27, 28, 63]
  

• C₄H₉N₁
  Fragment probability: 0.39
  Fragment mass: 57.113899999999994
  Fragment main chain atoms: [1, 18, 2]
  Fragment all atoms: [1, 31, 32, 33, 18, 3, 37, 38, 39, 23, 2, 34, 35, 36]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 57.113899999999994
  Fragment main chain atoms: [1, 18]
  Fragment all atoms: [1, 31, 32, 33, 18]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 57.113899999999994
  Fragment main chain atoms: [2, 18]
  Fragment all atoms: [2, 34, 35, 36, 18]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 57.113899999999994
  Fragment main chain atoms: [3, 18]
  Fragment all atoms: [3, 37, 38, 39, 18]
  

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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