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

Submission ID: HPK
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.50
• Compound probability: 0.62

List of identified carbohydrate fragments:

• C₅H₄O₃
  Fragment probability: 0.50
  Fragment mass: 98.05680000000001
  Fragment main chain atoms: [12, 11, 8]
  Fragment all atoms: [12, 15, 16, 11, 14, 8, 25, 4, 20, 7, 23, 24]
  

• C₄H₂O₃
  Fragment probability: 0.50
  Fragment mass: 69.03880000000001
  Fragment main chain atoms: [12, 11]
  Fragment all atoms: [12, 15, 16, 11, 8, 25, 4, 20, 14]
  

• C₃H₃O₁
  Fragment probability: 0.42
  Fragment mass: 64.0851
  Fragment main chain atoms: [4, 7, 10]
  Fragment all atoms: [4, 20, 7, 23, 24, 10, 13]
  

• C₄H₄O₁
  Fragment probability: 0.38
  Fragment mass: 82.05739999999999
  Fragment main chain atoms: [8, 11]
  Fragment all atoms: [8, 25, 4, 20, 7, 23, 24, 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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