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

Submission ID: PME
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.56
• Compound probability: 0.76

List of identified carbohydrate fragments:

• C₈H₇N₂O₅
  Fragment probability: 0.47
  Fragment mass: 202.16430000000003
  Fragment main chain atoms: [12, 8, 10, 13, 16, 11, 14]
  Fragment all atoms: [12, 17, 18, 39, 8, 32, 33, 10, 34, 15, 13, 19, 16, 11, 35, 7, 30, 31, 9, 14, 20, 21]
  

• C₉H₁₀N₂O₅
  Fragment probability: 0.50
  Fragment mass: 217.1987
  Fragment main chain atoms: [12, 8, 10, 13, 16, 11, 14, 21, 1]
  Fragment all atoms: [12, 17, 18, 39, 8, 32, 33, 10, 34, 15, 13, 19, 16, 11, 35, 7, 30, 31, 9, 14, 20, 21, 1, 22, 23, 24]
  

• C₄H₆N₁O₂
  Fragment probability: 0.56
  Fragment mass: 71.07770000000001
  Fragment main chain atoms: [14, 21, 1]
  Fragment all atoms: [14, 11, 35, 7, 30, 31, 16, 20, 21, 1, 22, 23, 24]
  

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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