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

Submission ID: DZE
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.62
• Compound probability: 0.88

List of identified carbohydrate fragments:

• C₅H₆N₁O₃
  Fragment probability: 0.55
  Fragment mass: 129.1137
  Fragment main chain atoms: [9, 6, 8, 7, 1]
  Fragment all atoms: [9, 16, 14, 6, 33, 34, 8, 35, 12, 7, 13, 1, 18, 19, 20]
  

• C₄H₆O₂
  Fragment probability: 0.62
  Fragment mass: 57.071
  Fragment main chain atoms: [9, 16, 5]
  Fragment all atoms: [9, 6, 33, 34, 8, 35, 14, 16, 5, 30, 31, 32]
  

• C₆H₉N₁O₃
  Fragment probability: 0.58
  Fragment mass: 144.14809999999997
  Fragment main chain atoms: [1, 7, 8, 6, 9, 16, 5]
  Fragment all atoms: [1, 18, 19, 20, 7, 13, 8, 35, 12, 6, 33, 34, 9, 14, 16, 5, 30, 31, 32]
  

• C₄H₉O₁
  Fragment probability: 0.56
  Fragment mass: 57.113899999999994
  Fragment main chain atoms: [2, 11, 3]
  Fragment all atoms: [2, 21, 22, 23, 11, 4, 27, 28, 29, 17, 3, 24, 25, 26]
  

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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