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

Submission ID: LTB
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.46
• Compound probability: 0.71

List of identified carbohydrate fragments:

• C₆H₈O₁
  Fragment probability: 0.42
  Fragment mass: 70.0896
  Fragment main chain atoms: [14, 18, 21]
  Fragment all atoms: [14, 46, 10, 40, 7, 37, 18, 52, 13, 44, 45, 9, 39, 21, 54]
  

• C₆H₉O₁
  Fragment probability: 0.46
  Fragment mass: 70.0896
  Fragment main chain atoms: [15, 19, 22]
  Fragment all atoms: [15, 47, 11, 41, 8, 38, 19, 53, 16, 48, 49, 12, 42, 43, 22, 55]
  

• C₆H₉
  Fragment probability: 0.38
  Fragment mass: 54.090199999999996
  Fragment main chain atoms: [6, 9]
  Fragment all atoms: [6, 36, 5, 34, 35, 4, 32, 33, 9, 39, 13, 44, 45, 18, 52]
  

• C₆H₈O₁
  Fragment probability: 0.42
  Fragment mass: 69.0817
  Fragment main chain atoms: [10, 14]
  Fragment all atoms: [10, 40, 7, 37, 8, 38, 14, 46, 18, 52, 13, 44, 45, 21, 54]
  

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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