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

Submission ID: CL7
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.62
• Compound probability: 0.25

List of identified carbohydrate fragments:

• C₆H₇O₂
  Fragment probability: 0.46
  Fragment mass: 69.0817
  Fragment main chain atoms: [25, 64, 47]
  Fragment all atoms: [25, 123, 124, 24, 122, 33, 64, 47, 23, 120, 121, 22, 118, 119, 60]
  

• C₂H₃O₁
  Fragment probability: 0.62
  Fragment mass: 55.0552
  Fragment main chain atoms: [25, 24]
  Fragment all atoms: [25, 123, 124, 64, 24, 122]
  

• C₅H₇O₂
  Fragment probability: 0.55
  Fragment mass: 81.09240000000001
  Fragment main chain atoms: [47, 64, 25, 24]
  Fragment all atoms: [47, 23, 120, 121, 22, 118, 119, 60, 64, 25, 123, 124, 24, 122]
  

• C₅H₄O₂
  Fragment probability: 0.40
  Fragment mass: 56.0631
  Fragment main chain atoms: [54, 63, 11]
  Fragment all atoms: [54, 50, 134, 49, 53, 62, 63, 11, 95, 96, 97]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 54.090199999999996
  Fragment main chain atoms: [6, 33]
  Fragment all atoms: [6, 80, 81, 82, 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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