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

Submission ID: GR3
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:

• C₇H₆O₂
  Fragment probability: 0.36
  Fragment mass: 94.111
  Fragment main chain atoms: [17, 20, 15, 21]
  Fragment all atoms: [17, 77, 33, 20, 78, 27, 83, 24, 30, 80, 15, 73, 74, 21, 35]
  

• C₇H₁₀O₁
  Fragment probability: 0.43
  Fragment mass: 51.0665
  Fragment main chain atoms: [14, 21]
  Fragment all atoms: [14, 72, 18, 1, 2, 40, 41, 42, 43, 44, 45, 21, 15, 73, 74, 20, 78, 35]
  

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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