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

Submission ID: MRU
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.97
• Compound probability: 0.73

List of identified carbohydrate fragments:

• C₆H₁₁O₄
  Fragment probability: 0.79
  Fragment mass: 179.2137
  Fragment main chain atoms: [2, 4, 6, 5, 3, 15, 1]
  Fragment all atoms: [2, 19, 20, 13, 4, 7, 6, 24, 9, 26, 5, 23, 8, 25, 3, 21, 22, 15, 1, 16, 17, 18]
  

• C₅H₈O₄
  Fragment probability: 0.80
  Fragment mass: 115.10700000000001
  Fragment main chain atoms: [2, 4, 6, 5]
  Fragment all atoms: [2, 19, 20, 13, 4, 7, 6, 24, 9, 26, 5, 23, 3, 21, 22, 8, 25]
  

• C₃H₄O₃
  Fragment probability: 0.97
  Fragment mass: 101.08050000000001
  Fragment main chain atoms: [2, 4, 6]
  Fragment all atoms: [2, 19, 20, 13, 4, 7, 6, 24, 9, 26]
  

• C₅H₈O₃
  Fragment probability: 0.70
  Fragment mass: 68.07379999999999
  Fragment main chain atoms: [5, 6]
  Fragment all atoms: [5, 23, 3, 21, 22, 8, 25, 6, 24, 4, 2, 19, 20, 7, 9, 26]
  

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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