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

Submission ID: NH1
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.49

List of identified carbohydrate fragments:

• C₁₀H₁₂O₃
  Fragment probability: 1.00
  Fragment mass: 138.1205
  Fragment main chain atoms: [24, 17, 29, 34, 27, 26]
  Fragment all atoms: [24, 32, 72, 17, 66, 67, 29, 14, 20, 62, 63, 13, 60, 61, 68, 7, 8, 52, 53, 54, 55, 34, 27, 33, 26]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 69.1246
  Fragment main chain atoms: [2, 28]
  Fragment all atoms: [2, 39, 40, 41, 28]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 69.1246
  Fragment main chain atoms: [3, 28]
  Fragment all atoms: [3, 42, 43, 44, 28]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 69.1246
  Fragment main chain atoms: [4, 28]
  Fragment all atoms: [4, 45, 46, 47, 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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