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

Submission ID: WYD
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.63

List of identified carbohydrate fragments:

• C₆H₁₀O₆
  Fragment probability: 1.00
  Fragment mass: 178.13960000000006
  Fragment main chain atoms: [26, 28, 24, 21, 44, 30, 41, 77, 89, 75, 39, 87]
  Fragment all atoms: [26, 28, 79, 43, 24, 21, 72, 14, 66, 67, 36, 85, 44, 30, 81, 46, 41, 77, 89, 75, 39, 87]
  

• C₈H₁₃N₁O₆
  Fragment probability: 1.00
  Fragment mass: 219.1914
  Fragment main chain atoms: [23, 25, 27, 22, 45, 29, 17, 84, 2, 32, 38, 76, 40, 88]
  Fragment all atoms: [23, 74, 25, 27, 78, 46, 22, 73, 15, 68, 69, 37, 86, 45, 29, 80, 42, 17, 84, 2, 50, 51, 52, 32, 38, 76, 40, 88]
  

• C₃H₇O₁
  Fragment probability: 0.58
  Fragment mass: 59.0868
  Fragment main chain atoms: [10, 3, 1]
  Fragment all atoms: [10, 60, 61, 42, 3, 53, 54, 1, 47, 48, 49]
  

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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