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

Submission ID: 9T1
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:

• C₁₀H₁₂N₁O₆
  Fragment probability: 1.00
  Fragment mass: 229.1863
  Fragment main chain atoms: [6, 8, 5, 9, 20, 10, 4, 33, 2, 15, 13]
  Fragment all atoms: [6, 29, 8, 17, 5, 28, 9, 31, 11, 18, 19, 36, 20, 10, 32, 7, 30, 3, 27, 16, 35, 4, 33, 2, 24, 25, 26, 15, 13]
  

• C₂H₅O₁
  Fragment probability: 0.62
  Fragment mass: 58.0789
  Fragment main chain atoms: [1, 3]
  Fragment all atoms: [1, 21, 22, 23, 3, 27, 14, 34]
  

• C₃H₇O₂
  Fragment probability: 0.75
  Fragment mass: 87.09689999999999
  Fragment main chain atoms: [1, 3, 7]
  Fragment all atoms: [1, 21, 22, 23, 3, 27, 14, 34, 7, 30, 16, 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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