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

Submission ID: SB3
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.54
• Compound probability: 0.30

List of identified carbohydrate fragments:

• C₆H₁₁O₁
  Fragment probability: 0.54
  Fragment mass: 96.12679999999999
  Fragment main chain atoms: [2, 28, 25]
  Fragment all atoms: [2, 37, 38, 39, 28, 3, 4, 40, 41, 42, 43, 44, 1, 34, 35, 36, 25, 30]
  

• C₇H₁₁N₁O₂
  Fragment probability: 0.50
  Fragment mass: 112.12619999999998
  Fragment main chain atoms: [2, 28, 25, 26]
  Fragment all atoms: [2, 37, 38, 39, 28, 3, 4, 40, 41, 42, 43, 44, 1, 34, 35, 36, 25, 30, 26, 31, 29]
  

• C₆H₈N₁O₂
  Fragment probability: 0.46
  Fragment mass: 52.0315
  Fragment main chain atoms: [25, 26]
  Fragment all atoms: [25, 28, 2, 3, 4, 37, 38, 39, 40, 41, 42, 43, 44, 30, 26, 31, 29]
  

• C₃N₁O₂
  Fragment probability: 0.29
  Fragment mass: 112.12620000000001
  Fragment main chain atoms: [26, 25, 28]
  Fragment all atoms: [26, 31, 29, 25, 30, 28]
  

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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