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

Submission ID: 2SA
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.61

List of identified carbohydrate fragments:

• C₅H₈N₁O₄
  Fragment probability: 1.00
  Fragment mass: 146.121
  Fragment main chain atoms: [10, 9, 6, 30, 13]
  Fragment all atoms: [10, 41, 23, 46, 9, 40, 22, 45, 6, 39, 2, 34, 35, 29, 30, 13, 42, 19]
  

• C₄H₅N₁O₄
  Fragment probability: 0.86
  Fragment mass: 132.0945
  Fragment main chain atoms: [7, 1, 5, 14]
  Fragment all atoms: [7, 20, 21, 44, 1, 32, 33, 5, 38, 18, 14, 24, 25, 47]
  

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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