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

Submission ID: 10S
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.81
• Compound probability: 0.32

List of identified carbohydrate fragments:

• C₇H₁₃O₃
  Fragment probability: 0.68
  Fragment mass: 133.1651
  Fragment main chain atoms: [11, 7, 14, 13, 31, 12]
  Fragment all atoms: [11, 54, 55, 28, 71, 7, 46, 47, 14, 60, 29, 72, 13, 58, 59, 31, 12, 56, 57, 10, 52, 53, 17]
  

• C₄H₉O₃
  Fragment probability: 0.81
  Fragment mass: 105.1121
  Fragment main chain atoms: [11, 7, 14, 13]
  Fragment all atoms: [11, 54, 55, 28, 71, 7, 46, 47, 14, 60, 29, 72, 13, 58, 59, 31]
  

• C₄H₆O₁
  Fragment probability: 0.50
  Fragment mass: 88.1048
  Fragment main chain atoms: [12, 31, 13]
  Fragment all atoms: [12, 56, 57, 10, 52, 53, 17, 31, 13, 58, 59]
  

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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