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

Submission ID: 1EC
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.93
• Compound probability: 0.65

List of identified carbohydrate fragments:

• C₇H₁₂N₁O₃
  Fragment probability: 0.60
  Fragment mass: 130.1414
  Fragment main chain atoms: [7, 3, 5, 9, 8]
  Fragment all atoms: [7, 30, 31, 12, 34, 3, 22, 23, 5, 26, 27, 9, 4, 24, 25, 1, 18, 19, 11, 8, 13, 14, 35]
  

• C₄H₇O₁
  Fragment probability: 0.56
  Fragment mass: 130.1414
  Fragment main chain atoms: [7, 3, 5, 9]
  Fragment all atoms: [7, 30, 31, 12, 34, 3, 22, 23, 5, 26, 27, 9]
  

• C₂H₁O₂
  Fragment probability: 0.93
  Fragment mass: 85.0811
  Fragment main chain atoms: [8, 9]
  Fragment all atoms: [8, 13, 14, 35, 9]
  

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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