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

Submission ID: 5KS
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.49

List of identified carbohydrate fragments:

• C₆H₁₀N₁O₄
  Fragment probability: 1.00
  Fragment mass: 160.14750000000004
  Fragment main chain atoms: [26, 22, 24, 20, 44, 28, 42, 67, 75, 40, 65, 73]
  Fragment all atoms: [26, 22, 63, 36, 24, 20, 61, 12, 58, 59, 38, 71, 44, 28, 69, 42, 67, 75, 40, 65, 73]
  

• C₆H₁₀N₁O₄
  Fragment probability: 1.00
  Fragment mass: 160.14750000000004
  Fragment main chain atoms: [23, 19, 43, 27, 25, 21, 39, 64, 72, 66, 41, 74]
  Fragment all atoms: [23, 19, 60, 11, 56, 57, 37, 70, 43, 27, 68, 25, 21, 62, 35, 39, 64, 72, 66, 41, 74]
  

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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