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

Submission ID: AGF
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.50
• Compound probability: 0.69

List of identified carbohydrate fragments:

• C₁₃H₁₄N₂O₆
  Fragment probability: 0.46
  Fragment mass: 322.2079
  Fragment main chain atoms: [13, 30, 21, 23, 15, 19, 22, 14, 32, 31, 18, 20]
  Fragment all atoms: [13, 48, 49, 17, 10, 11, 44, 45, 30, 21, 27, 23, 15, 52, 1, 33, 34, 35, 19, 24, 22, 14, 50, 51, 32, 31, 18, 53, 12, 46, 47, 16, 20, 25, 26, 56]
  

• C₈H₁₀N₂O₄
  Fragment probability: 0.50
  Fragment mass: 252.1612000000001
  Fragment main chain atoms: [20, 18, 31, 32, 14, 22, 19, 15, 1]
  Fragment all atoms: [20, 25, 26, 56, 18, 53, 12, 46, 47, 16, 31, 32, 14, 50, 51, 22, 19, 24, 15, 52, 23, 1, 33, 34, 35]
  

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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