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

Submission ID: TEX
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.38
• Compound probability: 0.34

List of identified carbohydrate fragments:

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 55.098099999999995
  Fragment main chain atoms: [2, 17]
  Fragment all atoms: [2, 35, 36, 37, 17]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 55.098099999999995
  Fragment main chain atoms: [3, 17]
  Fragment all atoms: [3, 38, 39, 40, 17]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 66.1009
  Fragment main chain atoms: [6, 27]
  Fragment all atoms: [6, 47, 48, 49, 27]
  

• C₆H₈
  Fragment probability: 0.33
  Fragment mass: 39.0558
  Fragment main chain atoms: [1, 8]
  Fragment all atoms: [1, 33, 34, 8, 53, 27, 13, 6, 21, 59, 60, 47, 48, 49]
  

• C₄H₅
  Fragment probability: 0.31
  Fragment mass: 69.1246
  Fragment main chain atoms: [10, 17]
  Fragment all atoms: [10, 56, 9, 54, 55, 13, 59, 60, 17]
  

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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