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

Submission ID: IFA
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.69
• Compound probability: 0.36

List of identified carbohydrate fragments:

• C₄H₇O₂
  Fragment probability: 0.69
  Fragment mass: 57.071
  Fragment main chain atoms: [15, 25, 1]
  Fragment all atoms: [15, 4, 31, 32, 5, 33, 34, 22, 25, 1, 26, 27, 28]
  

• C₄H₄N₁O₃
  Fragment probability: 0.56
  Fragment mass: 111.0985
  Fragment main chain atoms: [15, 4, 5, 21, 17]
  Fragment all atoms: [15, 22, 25, 4, 31, 32, 5, 33, 34, 21, 17, 24]
  

• C₅H₇N₁O₃
  Fragment probability: 0.59
  Fragment mass: 126.13289999999999
  Fragment main chain atoms: [1, 25, 15, 4, 5, 21, 17]
  Fragment all atoms: [1, 26, 27, 28, 25, 15, 22, 4, 31, 32, 5, 33, 34, 21, 17, 24]
  

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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