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

Submission ID: F24
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.75
• Compound probability: 0.74

List of identified carbohydrate fragments:

• C₅H₉O₃
  Fragment probability: 0.75
  Fragment mass: 103.0963
  Fragment main chain atoms: [11, 16, 12]
  Fragment all atoms: [11, 45, 19, 16, 49, 17, 50, 7, 39, 40, 21, 52, 12, 46, 47, 20, 51]
  

• C₅H₆O₂
  Fragment probability: 0.50
  Fragment mass: 70.0467
  Fragment main chain atoms: [18, 10]
  Fragment all atoms: [18, 23, 22, 53, 10, 44, 15, 9, 3, 43, 30, 31, 32]
  

• C₃H₂O₂
  Fragment probability: 0.50
  Fragment mass: 98.09970000000001
  Fragment main chain atoms: [18, 10, 15]
  Fragment all atoms: [18, 23, 22, 53, 10, 44, 15]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 54.090199999999996
  Fragment main chain atoms: [2, 14]
  Fragment all atoms: [2, 27, 28, 29, 14]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 53.0823
  Fragment main chain atoms: [3, 15]
  Fragment all atoms: [3, 30, 31, 32, 15]
  

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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