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

Submission ID: 2XT
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.69

List of identified carbohydrate fragments:

• C₆H₁₀O₆
  Fragment probability: 1.00
  Fragment mass: 178.13960000000006
  Fragment main chain atoms: [23, 25, 21, 18, 40, 27, 37, 72, 82, 70, 35, 80]
  Fragment all atoms: [23, 25, 74, 39, 21, 18, 67, 12, 61, 62, 32, 78, 40, 27, 76, 42, 37, 72, 82, 70, 35, 80]
  

• C₈H₁₃N₁O₆
  Fragment probability: 1.00
  Fragment mass: 219.1914
  Fragment main chain atoms: [20, 22, 24, 19, 41, 26, 15, 77, 2, 34, 28, 71, 36, 81]
  Fragment all atoms: [20, 69, 22, 24, 73, 42, 19, 68, 13, 63, 64, 33, 79, 41, 26, 75, 38, 15, 77, 2, 46, 47, 48, 34, 28, 71, 36, 81]
  

• C₃H₇O₁
  Fragment probability: 0.58
  Fragment mass: 59.0868
  Fragment main chain atoms: [9, 3, 1]
  Fragment all atoms: [9, 56, 57, 38, 3, 49, 50, 1, 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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