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

Submission ID: 9KJ
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.81

List of identified carbohydrate fragments:

• C₆H₁₁O₆
  Fragment probability: 1.00
  Fragment mass: 179.14750000000006
  Fragment main chain atoms: [11, 10, 9, 7, 25, 13, 21, 42, 51, 41, 20, 50, 40, 19, 49]
  Fragment all atoms: [11, 10, 9, 7, 38, 3, 32, 33, 17, 47, 25, 13, 44, 26, 21, 42, 51, 41, 20, 50, 40, 19, 49]
  

• C₆H₁₁N₁O₄
  Fragment probability: 1.00
  Fragment mass: 189.18860000000004
  Fragment main chain atoms: [14, 6, 12, 8, 5]
  Fragment all atoms: [14, 6, 37, 2, 30, 31, 16, 46, 12, 43, 26, 8, 39, 18, 48, 5, 36, 1, 28, 29, 15, 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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