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

Submission ID: CUR
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.50
• Compound probability: 0.33

List of identified carbohydrate fragments:

• C₆H₅O₂
  Fragment probability: 0.38
  Fragment mass: 83.06530000000001
  Fragment main chain atoms: [13, 16, 22]
  Fragment all atoms: [13, 44, 17, 8, 39, 23, 16, 7, 38, 3, 34, 22, 45]
  

• C₃H₂O₁
  Fragment probability: 0.33
  Fragment mass: 63.0772
  Fragment main chain atoms: [4, 8, 17]
  Fragment all atoms: [4, 35, 8, 39, 17, 23]
  

• C₂H₂O₁
  Fragment probability: 0.50
  Fragment mass: 66.058
  Fragment main chain atoms: [13, 16]
  Fragment all atoms: [13, 44, 16, 22, 45]
  

• C₆H₅O₂
  Fragment probability: 0.38
  Fragment mass: 67.0659
  Fragment main chain atoms: [13, 17]
  Fragment all atoms: [13, 44, 16, 7, 38, 22, 45, 17, 8, 39, 4, 35, 23]
  

• C₅H₄O₂
  Fragment probability: 0.40
  Fragment mass: 63.0772
  Fragment main chain atoms: [16, 13, 17]
  Fragment all atoms: [16, 22, 45, 13, 44, 17, 8, 39, 4, 35, 23]
  

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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