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

Submission ID: 5L2
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.68

List of identified carbohydrate fragments:

• C₆H₁₀O₅
  Fragment probability: 1.00
  Fragment mass: 162.14020000000005
  Fragment main chain atoms: [28, 14, 12, 11, 10, 9, 20, 49, 55, 19, 48, 54, 18, 47, 53]
  Fragment all atoms: [28, 14, 50, 12, 11, 10, 9, 46, 5, 42, 43, 27, 20, 49, 55, 19, 48, 54, 18, 47, 53]
  

• C₃H₅O₂
  Fragment probability: 0.75
  Fragment mass: 86.089
  Fragment main chain atoms: [5, 27, 6]
  Fragment all atoms: [5, 42, 43, 27, 6, 1, 32, 33, 34, 17]
  

• C₄H₆N₁O₂
  Fragment probability: 0.56
  Fragment mass: 70.0698
  Fragment main chain atoms: [13, 26, 2]
  Fragment all atoms: [13, 8, 45, 3, 38, 39, 16, 21, 26, 2, 35, 36, 37]
  

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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