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

Submission ID: 2R9
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.56
• Compound probability: 0.18

List of identified carbohydrate fragments:

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 70.13250000000001
  Fragment main chain atoms: [2, 33]
  Fragment all atoms: [2, 54, 55, 56, 33]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 70.13250000000001
  Fragment main chain atoms: [3, 33]
  Fragment all atoms: [3, 57, 58, 59, 33]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 70.13250000000001
  Fragment main chain atoms: [4, 33]
  Fragment all atoms: [4, 60, 61, 62, 33]
  

• C₄H₉O₁
  Fragment probability: 0.56
  Fragment mass: 57.113899999999994
  Fragment main chain atoms: [5, 34, 6]
  Fragment all atoms: [5, 63, 64, 65, 34, 7, 69, 70, 71, 50, 6, 66, 67, 68]
  

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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