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

Submission ID: 110
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.62
• Compound probability: 0.38

List of identified carbohydrate fragments:

• C₆H₉O₃
  Fragment probability: 0.62
  Fragment mass: 86.08900000000001
  Fragment main chain atoms: [15, 39, 28]
  Fragment all atoms: [15, 63, 64, 3, 46, 47, 2, 44, 45, 39, 28, 26, 74, 25, 73, 34, 78, 36]
  

• C₁₀H₁₄N₁O₄
  Fragment probability: 0.52
  Fragment mass: 181.16830000000002
  Fragment main chain atoms: [15, 39, 28, 26, 25, 30, 27]
  Fragment all atoms: [15, 63, 64, 3, 46, 47, 2, 44, 45, 39, 28, 36, 26, 74, 34, 78, 25, 73, 20, 71, 9, 10, 53, 54, 55, 56, 30, 27, 35]
  

• C₇H₈N₁O₄
  Fragment probability: 0.53
  Fragment mass: 153.11530000000002
  Fragment main chain atoms: [28, 26, 25, 30, 27]
  Fragment all atoms: [28, 36, 39, 26, 74, 34, 78, 25, 73, 20, 71, 9, 10, 53, 54, 55, 56, 30, 27, 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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