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

Submission ID: 2KB
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.55
• Compound probability: 0.31

List of identified carbohydrate fragments:

• C₄H₆O₁
  Fragment probability: 0.50
  Fragment mass: 84.09629999999999
  Fragment main chain atoms: [19, 7, 6, 18]
  Fragment all atoms: [19, 73, 74, 36, 7, 53, 54, 6, 51, 52, 18]
  

• C₅H₁₁O₁
  Fragment probability: 0.55
  Fragment mass: 56.105999999999995
  Fragment main chain atoms: [3, 30, 4]
  Fragment all atoms: [3, 42, 43, 44, 30, 16, 69, 70, 8, 55, 56, 35, 85, 4, 45, 46, 47]
  

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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