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

Submission ID: 71E
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.59
• Compound probability: 0.26

List of identified carbohydrate fragments:

• C₅H₉N₁O₂
  Fragment probability: 0.59
  Fragment mass: 101.12339999999999
  Fragment main chain atoms: [1, 15, 25, 29]
  Fragment all atoms: [1, 48, 49, 50, 15, 74, 2, 51, 52, 53, 25, 76, 42, 83, 29, 44, 37]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 85.1471
  Fragment main chain atoms: [3, 33]
  Fragment all atoms: [3, 54, 55, 56, 33]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 70.13250000000001
  Fragment main chain atoms: [4, 33]
  Fragment all atoms: [4, 57, 58, 59, 33]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 70.13250000000001
  Fragment main chain atoms: [5, 33]
  Fragment all atoms: [5, 60, 61, 62, 33]
  

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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