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

Submission ID: 7ZU
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.58
• Compound probability: 0.35

List of identified carbohydrate fragments:

• C₆H₁₂O₁
  Fragment probability: 0.58
  Fragment mass: 55.098099999999995
  Fragment main chain atoms: [4, 27, 5]
  Fragment all atoms: [4, 40, 41, 42, 27, 19, 68, 2, 10, 35, 36, 37, 54, 31, 75, 5, 43, 44, 45]
  

• C₈H₁₁
  Fragment probability: 0.34
  Fragment mass: 52.0744
  Fragment main chain atoms: [9, 10]
  Fragment all atoms: [9, 53, 18, 67, 1, 24, 32, 33, 34, 70, 10, 54, 19, 68, 2, 27, 35, 36, 37]
  

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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