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

Submission ID: 941
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.97
• Compound probability: 0.40

List of identified carbohydrate fragments:

• C₃H₃O₅
  Fragment probability: 0.81
  Fragment mass: 119.05279999999999
  Fragment main chain atoms: [25, 23, 26]
  Fragment all atoms: [25, 34, 35, 78, 23, 74, 42, 26, 36, 37, 79]
  

• C₂H₃O₂
  Fragment probability: 0.97
  Fragment mass: 55.0552
  Fragment main chain atoms: [27, 40, 4]
  Fragment all atoms: [27, 38, 40, 4, 53, 54, 55]
  

• C₄H₉O₁
  Fragment probability: 0.56
  Fragment mass: 57.113899999999994
  Fragment main chain atoms: [1, 29, 2]
  Fragment all atoms: [1, 44, 45, 46, 29, 3, 50, 51, 52, 43, 2, 47, 48, 49]
  

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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