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

Submission ID: AR4
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.95

List of identified carbohydrate fragments:

• C₅H₈O₅
  Fragment probability: 1.00
  Fragment mass: 148.11370000000002
  Fragment main chain atoms: [10, 7, 5, 19, 9]
  Fragment all atoms: [10, 18, 36, 7, 29, 15, 34, 5, 28, 3, 25, 26, 13, 33, 19, 9, 30, 20]
  

• C₅H₆N₁O₄
  Fragment probability: 0.64
  Fragment mass: 146.121
  Fragment main chain atoms: [6, 2, 1, 4, 8]
  Fragment all atoms: [6, 14, 20, 2, 23, 24, 1, 21, 22, 4, 27, 12, 8, 16, 17, 35]
  

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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