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

Submission ID: 52W
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.27

List of identified carbohydrate fragments:

• C₇H₁₁O₄
  Fragment probability: 1.00
  Fragment mass: 145.13290000000003
  Fragment main chain atoms: [13, 14, 38, 28, 27, 26]
  Fragment all atoms: [13, 60, 61, 14, 62, 63, 38, 28, 78, 39, 27, 77, 25, 75, 18, 70, 71, 33, 81, 26, 76, 40]
  

• C₆H₉O₄
  Fragment probability: 1.00
  Fragment mass: 131.1064
  Fragment main chain atoms: [25, 18, 39, 28, 27]
  Fragment all atoms: [25, 75, 33, 81, 18, 70, 71, 39, 28, 78, 38, 27, 77, 26, 76, 13, 60, 61, 40]
  

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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