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

Submission ID: 02G
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.75
• Compound probability: 0.91

List of identified carbohydrate fragments:

• C₆H₈O₁
  Fragment probability: 0.42
  Fragment mass: 70.0896
  Fragment main chain atoms: [3, 6, 8]
  Fragment all atoms: [3, 15, 1, 12, 2, 13, 14, 6, 20, 5, 18, 19, 7, 8, 21]
  

• C₄H₆O₃
  Fragment probability: 0.75
  Fragment mass: 115.10700000000001
  Fragment main chain atoms: [7, 5, 6, 3]
  Fragment all atoms: [7, 9, 10, 22, 5, 18, 19, 6, 20, 8, 21, 3, 15]
  

• C₆H₁₀O₁
  Fragment probability: 0.50
  Fragment mass: 70.0896
  Fragment main chain atoms: [1, 3]
  Fragment all atoms: [1, 12, 2, 13, 14, 4, 16, 17, 3, 15, 6, 20, 5, 18, 19, 8, 21]
  

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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