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

Submission ID: 93O
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.97
• Compound probability: 0.33

List of identified carbohydrate fragments:

• C₄H₄O₂
  Fragment probability: 0.50
  Fragment mass: 67.0659
  Fragment main chain atoms: [14, 35, 26]
  Fragment all atoms: [14, 56, 57, 8, 50, 11, 53, 35, 26, 30]
  

• C₂H₃O₁
  Fragment probability: 0.62
  Fragment mass: 56.0631
  Fragment main chain atoms: [14, 8]
  Fragment all atoms: [14, 56, 57, 35, 8, 50]
  

• C₃H₄O₁
  Fragment probability: 0.50
  Fragment mass: 68.0738
  Fragment main chain atoms: [14, 8, 11]
  Fragment all atoms: [14, 56, 57, 35, 8, 50, 11, 53]
  

• C₃H₄O₃
  Fragment probability: 0.97
  Fragment mass: 84.0732
  Fragment main chain atoms: [15, 16, 36, 27]
  Fragment all atoms: [15, 58, 59, 34, 16, 60, 61, 36, 27, 31]
  

• C₃H₃O₂
  Fragment probability: 0.58
  Fragment mass: 80.0845
  Fragment main chain atoms: [26, 35, 14, 8]
  Fragment all atoms: [26, 30, 35, 14, 56, 57, 8, 50]
  

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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