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

Submission ID: KEK
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.50
• Compound probability: 0.50

List of identified carbohydrate fragments:

• C₇H₆O₃
  Fragment probability: 0.43
  Fragment mass: 111.07540000000002
  Fragment main chain atoms: [15, 14, 8, 6]
  Fragment all atoms: [15, 19, 20, 14, 18, 8, 31, 6, 28, 10, 34, 1, 13, 21, 22, 23]
  

• C₄H₂O₃
  Fragment probability: 0.50
  Fragment mass: 69.03880000000001
  Fragment main chain atoms: [15, 14]
  Fragment all atoms: [15, 19, 20, 14, 8, 31, 6, 28, 18]
  

• C₅H₆
  Fragment probability: 0.30
  Fragment mass: 67.0659
  Fragment main chain atoms: [6, 8]
  Fragment all atoms: [6, 28, 10, 34, 1, 13, 21, 22, 23, 8, 31]
  

• C₆H₆O₁
  Fragment probability: 0.33
  Fragment mass: 95.076
  Fragment main chain atoms: [6, 8, 14]
  Fragment all atoms: [6, 28, 10, 34, 1, 13, 21, 22, 23, 8, 31, 14, 18]
  

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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