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

Submission ID: 13H
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.46
• Compound probability: 0.48

List of identified carbohydrate fragments:

• C₆H₉O₁
  Fragment probability: 0.46
  Fragment mass: 70.0896
  Fragment main chain atoms: [15, 17, 19]
  Fragment all atoms: [15, 48, 12, 43, 9, 38, 17, 51, 14, 46, 47, 11, 41, 42, 19, 52]
  

• C₄H₆
  Fragment probability: 0.38
  Fragment mass: 53.0823
  Fragment main chain atoms: [7, 9]
  Fragment all atoms: [7, 35, 5, 31, 32, 4, 29, 30, 9, 38]
  

• C₄H₅
  Fragment probability: 0.31
  Fragment mass: 52.0744
  Fragment main chain atoms: [9, 12]
  Fragment all atoms: [9, 38, 7, 35, 5, 31, 32, 12, 43]
  

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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