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

Submission ID: HVS
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.50
• Compound probability: 0.65

List of identified carbohydrate fragments:

• C₆H₆O₃
  Fragment probability: 0.50
  Fragment mass: 98.05680000000001
  Fragment main chain atoms: [13, 12, 8]
  Fragment all atoms: [13, 17, 16, 28, 12, 15, 8, 27, 9, 1, 7, 18, 19, 20, 26]
  

• C₄H₂O₃
  Fragment probability: 0.50
  Fragment mass: 126.10980000000002
  Fragment main chain atoms: [13, 12, 8, 9]
  Fragment all atoms: [13, 17, 16, 28, 12, 15, 8, 27, 9]
  

• C₂H₁O₁
  Fragment probability: 0.38
  Fragment mass: 49.0507
  Fragment main chain atoms: [7, 11]
  Fragment all atoms: [7, 26, 11, 14]
  

• C₅H₅O₁
  Fragment probability: 0.35
  Fragment mass: 82.0574
  Fragment main chain atoms: [8, 12]
  Fragment all atoms: [8, 27, 9, 1, 7, 18, 19, 20, 26, 12, 15]
  

• C₃H₁O₁
  Fragment probability: 0.25
  Fragment mass: 77.10369999999999
  Fragment main chain atoms: [9, 7, 11]
  Fragment all atoms: [9, 7, 26, 11, 14]
  

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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