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

Submission ID: 7X0
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.65
• Compound probability: 0.29

List of identified carbohydrate fragments:

• C₅H₄O₄
  Fragment probability: 0.60
  Fragment mass: 99.0647
  Fragment main chain atoms: [21, 26, 7]
  Fragment all atoms: [21, 35, 33, 26, 20, 24, 32, 34, 71, 7, 54, 55, 56]
  

• C₅H₇O₃
  Fragment probability: 0.65
  Fragment mass: 72.06250000000001
  Fragment main chain atoms: [21, 35, 8]
  Fragment all atoms: [21, 26, 20, 7, 54, 55, 56, 34, 71, 33, 35, 8, 57, 58, 59]
  

• C₆H₇O₄
  Fragment probability: 0.62
  Fragment mass: 114.09909999999999
  Fragment main chain atoms: [7, 26, 21, 35, 8]
  Fragment all atoms: [7, 54, 55, 56, 26, 20, 24, 32, 34, 71, 21, 33, 35, 8, 57, 58, 59]
  

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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