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

Submission ID: NA7
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.56

List of identified carbohydrate fragments:

• C₅H₉O₄
  Fragment probability: 1.00
  Fragment mass: 133.12220000000002
  Fragment main chain atoms: [6, 10, 7, 31, 1]
  Fragment all atoms: [6, 48, 21, 57, 10, 51, 22, 58, 7, 49, 2, 42, 43, 32, 31, 1, 40, 41]
  

• C₅H₇N₁O₄
  Fragment probability: 1.00
  Fragment mass: 145.1131
  Fragment main chain atoms: [11, 12, 15, 34, 8]
  Fragment all atoms: [11, 52, 23, 59, 12, 53, 35, 15, 54, 20, 34, 8, 50, 3, 44, 45, 33]
  

• C₂H₄O₃
  Fragment probability: 0.97
  Fragment mass: 262.0482
  Fragment main chain atoms: [2, 32, 38, 36, 39, 33, 3]
  Fragment all atoms: [2, 42, 43, 32, 38, 36, 39, 33, 3, 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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