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

Submission ID: EKS
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.81
• Compound probability: 0.47

List of identified carbohydrate fragments:

• C₄H₇O₃
  Fragment probability: 0.81
  Fragment mass: 87.09690000000002
  Fragment main chain atoms: [32, 34, 7]
  Fragment all atoms: [32, 38, 39, 80, 34, 8, 62, 63, 64, 40, 7, 59, 60, 61]
  

• C₆H₆N₁O₁
  Fragment probability: 0.31
  Fragment mass: 79.0997
  Fragment main chain atoms: [2, 22, 35, 31]
  Fragment all atoms: [2, 44, 45, 46, 22, 78, 25, 12, 13, 68, 69, 35, 31, 37]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 69.1246
  Fragment main chain atoms: [4, 33]
  Fragment all atoms: [4, 50, 51, 52, 33]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 69.1246
  Fragment main chain atoms: [5, 33]
  Fragment all atoms: [5, 53, 54, 55, 33]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 69.1246
  Fragment main chain atoms: [6, 33]
  Fragment all atoms: [6, 56, 57, 58, 33]
  

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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