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

Submission ID: 4KM
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.65
• Compound probability: 0.40

List of identified carbohydrate fragments:

• C₅H₉O₂
  Fragment probability: 0.65
  Fragment mass: 97.13470000000002
  Fragment main chain atoms: [20, 30, 21, 2]
  Fragment all atoms: [20, 28, 30, 21, 3, 4, 37, 38, 39, 40, 41, 42, 2, 34, 35, 36]
  

• C₃H₆N₁O₁
  Fragment probability: 0.57
  Fragment mass: 98.10300000000001
  Fragment main chain atoms: [1, 14, 26, 5]
  Fragment all atoms: [1, 31, 32, 33, 14, 27, 26, 5, 43, 44, 45]
  

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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