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

Submission ID: 9KX
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.50
• Compound probability: 0.40

List of identified carbohydrate fragments:

• C₂H₄
  Fragment probability: 0.50
  Fragment mass: 41.0716
  Fragment main chain atoms: [1, 5]
  Fragment all atoms: [1, 31, 32, 33, 5, 42]
  

• C₆H₇O₁
  Fragment probability: 0.38
  Fragment mass: 66.1009
  Fragment main chain atoms: [2, 18, 24]
  Fragment all atoms: [2, 34, 35, 36, 18, 62, 22, 63, 13, 27, 52, 53, 24, 28]
  

• C₈H₉O₁
  Fragment probability: 0.34
  Fragment mass: 64.0851
  Fragment main chain atoms: [7, 10, 24]
  Fragment all atoms: [7, 44, 6, 43, 5, 42, 10, 49, 24, 18, 62, 2, 22, 34, 35, 36, 63, 28]
  

• C₇H₈O₁
  Fragment probability: 0.36
  Fragment mass: 51.0665
  Fragment main chain atoms: [10, 24]
  Fragment all atoms: [10, 49, 7, 44, 6, 43, 24, 18, 62, 2, 22, 34, 35, 36, 63, 28]
  

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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