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

Submission ID: KPS
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.48

List of identified carbohydrate fragments:

• C₆H₁₀O₄
  Fragment probability: 0.75
  Fragment mass: 117.12280000000001
  Fragment main chain atoms: [3, 6, 7, 5]
  Fragment all atoms: [3, 25, 26, 20, 6, 28, 13, 33, 7, 29, 14, 34, 5, 27, 1, 22, 23, 4, 12, 32]
  

• C₂H₄O₂
  Fragment probability: 1.00
  Fragment mass: 73.0704
  Fragment main chain atoms: [3, 6]
  Fragment all atoms: [3, 25, 26, 20, 6, 28, 13, 33]
  

• C₅H₁₀O₄
  Fragment probability: 0.90
  Fragment mass: 103.09630000000001
  Fragment main chain atoms: [3, 6, 7]
  Fragment all atoms: [3, 25, 26, 20, 6, 28, 13, 33, 7, 29, 5, 27, 1, 22, 23, 12, 32, 14, 34]
  

• C₄H₆O₂
  Fragment probability: 0.62
  Fragment mass: 70.0896
  Fragment main chain atoms: [5, 7]
  Fragment all atoms: [5, 27, 1, 22, 23, 4, 12, 32, 7, 29, 14, 34]
  

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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