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

Submission ID: 662
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.43
• Compound probability: 0.27

List of identified carbohydrate fragments:

• C₇H₁₀O₁
  Fragment probability: 0.43
  Fragment mass: 97.09179999999999
  Fragment main chain atoms: [5, 22, 41]
  Fragment all atoms: [5, 51, 4, 50, 11, 58, 59, 22, 65, 16, 64, 2, 24, 45, 46, 47, 66, 41]
  

• C₃H₃N₁O₁
  Fragment probability: 0.36
  Fragment mass: 79.0997
  Fragment main chain atoms: [4, 11, 32, 28]
  Fragment all atoms: [4, 50, 11, 58, 59, 32, 28, 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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