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

Submission ID: AVW
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.60

List of identified carbohydrate fragments:

• C₅H₈O₃
  Fragment probability: 1.00
  Fragment mass: 116.11489999999999
  Fragment main chain atoms: [6, 10, 7, 29, 1]
  Fragment all atoms: [6, 44, 10, 47, 22, 53, 7, 45, 2, 38, 39, 30, 29, 1, 36, 37]
  

• C₅H₈N₁O₄
  Fragment probability: 1.00
  Fragment mass: 146.121
  Fragment main chain atoms: [11, 12, 15, 32, 8]
  Fragment all atoms: [11, 48, 23, 54, 12, 49, 24, 55, 15, 50, 21, 32, 8, 46, 3, 40, 41, 31]
  

• C₂H₄O₃
  Fragment probability: 0.97
  Fragment mass: 262.0482
  Fragment main chain atoms: [2, 30, 34, 33, 35, 31, 3]
  Fragment all atoms: [2, 38, 39, 30, 34, 33, 35, 31, 3, 40, 41]
  

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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