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

Submission ID: 53A
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.75
• Compound probability: 0.50

List of identified carbohydrate fragments:

• C₃H₅O₂
  Fragment probability: 0.75
  Fragment mass: 84.0963
  Fragment main chain atoms: [4, 26, 17]
  Fragment all atoms: [4, 38, 39, 1, 29, 30, 31, 26, 17, 24]
  

• C₅H₆O₂
  Fragment probability: 0.50
  Fragment mass: 70.0896
  Fragment main chain atoms: [5, 27, 18]
  Fragment all atoms: [5, 40, 41, 2, 32, 33, 34, 27, 18, 14, 46, 10, 25]
  

• C₄H₄O₃
  Fragment probability: 0.62
  Fragment mass: 100.07260000000001
  Fragment main chain atoms: [18, 14, 10, 3]
  Fragment all atoms: [18, 27, 25, 14, 46, 10, 23, 3, 35, 36, 37]
  

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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