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

Submission ID: QAP
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.50
• Compound probability: 0.38

List of identified carbohydrate fragments:

• C₄H₄O₂
  Fragment probability: 0.50
  Fragment mass: 69.08170000000001
  Fragment main chain atoms: [11, 21, 17]
  Fragment all atoms: [11, 33, 34, 10, 31, 32, 13, 21, 17, 20]
  

• C₃H₂O₂
  Fragment probability: 0.50
  Fragment mass: 82.05740000000002
  Fragment main chain atoms: [17, 9, 7]
  Fragment all atoms: [17, 20, 21, 9, 30, 7, 28]
  

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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