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

Submission ID: DQ1
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.75
• Compound probability: 0.29

List of identified carbohydrate fragments:

• C₅H₉O₂
  Fragment probability: 0.65
  Fragment mass: 71.0975
  Fragment main chain atoms: [3, 30, 20]
  Fragment all atoms: [3, 38, 39, 1, 32, 33, 34, 30, 20, 5, 42, 43, 4, 40, 41, 28]
  

• C₄H₆O₃
  Fragment probability: 0.75
  Fragment mass: 102.08839999999998
  Fragment main chain atoms: [10, 4, 5, 20]
  Fragment all atoms: [10, 48, 49, 31, 4, 40, 41, 5, 42, 43, 20, 28, 30]
  

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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