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

Submission ID: D2K
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: [4, 30, 18]
  Fragment all atoms: [4, 41, 42, 1, 32, 33, 34, 30, 18, 6, 45, 46, 5, 43, 44, 28]
  

• C₄H₆O₃
  Fragment probability: 0.75
  Fragment mass: 102.08839999999998
  Fragment main chain atoms: [9, 5, 6, 18]
  Fragment all atoms: [9, 49, 50, 31, 5, 43, 44, 6, 45, 46, 18, 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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