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

Submission ID: KDR
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 1.00

List of identified carbohydrate fragments:

• C₈H₁₂O₆
  Fragment probability: 1.00
  Fragment mass: 174.15090000000004
  Fragment main chain atoms: [4, 7, 9, 10, 18, 11, 14, 29, 34, 16, 31, 36]
  Fragment all atoms: [4, 24, 25, 7, 9, 10, 32, 8, 30, 5, 26, 27, 15, 35, 18, 11, 6, 28, 13, 17, 14, 29, 34, 16, 31, 36]
  

• C₃H₅O₁
  Fragment probability: 0.58
  Fragment mass: 57.071
  Fragment main chain atoms: [3, 2, 1]
  Fragment all atoms: [3, 22, 23, 17, 2, 21, 1, 19, 20]
  

• C₂H₃O₁
  Fragment probability: 0.62
  Fragment mass: 57.071
  Fragment main chain atoms: [3, 2]
  Fragment all atoms: [3, 22, 23, 17, 2, 21]
  

• C₂H₅O₂
  Fragment probability: 0.97
  Fragment mass: 73.07039999999999
  Fragment main chain atoms: [5, 8]
  Fragment all atoms: [5, 26, 27, 12, 33, 8, 30, 15, 35]
  

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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