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

Submission ID: 4DW
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.59
• Compound probability: 0.39

List of identified carbohydrate fragments:

• C₅H₅N₁O₄
  Fragment probability: 0.59
  Fragment mass: 144.10520000000002
  Fragment main chain atoms: [14, 8, 7, 13, 19]
  Fragment all atoms: [14, 26, 27, 49, 8, 41, 7, 40, 13, 43, 23, 19, 30, 31, 50]
  

• C₅H₄N₁O₃
  Fragment probability: 0.45
  Fragment mass: 110.09060000000001
  Fragment main chain atoms: [19, 13, 23, 17]
  Fragment all atoms: [19, 30, 31, 50, 13, 43, 7, 40, 8, 41, 23, 17, 28]
  

• C₄H₃N₁O₃
  Fragment probability: 0.50
  Fragment mass: 123.1092
  Fragment main chain atoms: [7, 13, 23, 17]
  Fragment all atoms: [7, 40, 13, 43, 19, 30, 31, 50, 23, 17, 28]
  

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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