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

Submission ID: MC9
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.43
• Compound probability: 0.33

List of identified carbohydrate fragments:

• C₇H₁₀O₁
  Fragment probability: 0.43
  Fragment mass: 69.0817
  Fragment main chain atoms: [13, 25, 29]
  Fragment all atoms: [13, 54, 6, 43, 17, 61, 25, 66, 20, 62, 8, 9, 45, 46, 47, 48, 29, 69]
  

• C₇H₁₀O₁
  Fragment probability: 0.43
  Fragment mass: 69.0817
  Fragment main chain atoms: [6, 13]
  Fragment all atoms: [6, 43, 17, 61, 1, 23, 31, 32, 33, 64, 13, 54, 25, 66, 20, 62, 29, 69]
  

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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