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

Submission ID: 9PN
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.72

List of identified carbohydrate fragments:

• C₆H₁₀O₆
  Fragment probability: 1.00
  Fragment mass: 178.13960000000006
  Fragment main chain atoms: [23, 25, 19, 16, 45, 28, 75, 42, 90, 71, 38, 86]
  Fragment all atoms: [23, 25, 77, 47, 19, 16, 68, 12, 64, 65, 35, 83, 45, 28, 80, 46, 75, 42, 90, 71, 38, 86]
  

• C₆H₁₁O₆
  Fragment probability: 1.00
  Fragment mass: 179.14750000000006
  Fragment main chain atoms: [21, 20, 17, 14, 44, 27, 40, 73, 88, 39, 72, 87, 69, 36, 84]
  Fragment all atoms: [21, 20, 17, 14, 66, 10, 60, 61, 33, 81, 44, 27, 79, 47, 40, 73, 88, 39, 72, 87, 69, 36, 84]
  

• C₆H₁₀N₁O₅
  Fragment probability: 1.00
  Fragment mass: 176.14690000000004
  Fragment main chain atoms: [22, 24, 18, 15, 43, 26, 74, 41, 89, 37, 70, 85]
  Fragment all atoms: [22, 24, 76, 46, 18, 15, 67, 11, 62, 63, 34, 82, 43, 26, 78, 32, 74, 41, 89, 37, 70, 85]
  

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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