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

Submission ID: 773
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.25

List of identified carbohydrate fragments:

• C₆H₁₀N₁O₃
  Fragment probability: 1.00
  Fragment mass: 144.14810000000003
  Fragment main chain atoms: [35, 31, 19, 24, 52, 39, 109, 48, 114]
  Fragment all atoms: [35, 31, 107, 45, 19, 96, 97, 24, 103, 3, 62, 63, 64, 52, 39, 112, 54, 109, 48, 114]
  

• C₂H₃O₁
  Fragment probability: 0.62
  Fragment mass: 56.0631
  Fragment main chain atoms: [18, 14]
  Fragment all atoms: [18, 94, 95, 51, 14, 90]
  

• C₃H₄O₁
  Fragment probability: 0.50
  Fragment mass: 68.0738
  Fragment main chain atoms: [18, 14, 15]
  Fragment all atoms: [18, 94, 95, 51, 14, 90, 15, 91]
  

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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