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

Submission ID: KDA
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:

• C₈H₁₂O₇
  Fragment probability: 1.00
  Fragment mass: 190.15030000000004
  Fragment main chain atoms: [4, 6, 8, 9, 19, 11, 13, 29, 34, 15, 31, 36]
  Fragment all atoms: [4, 25, 26, 6, 8, 9, 32, 7, 30, 5, 27, 28, 14, 35, 19, 11, 10, 16, 17, 37, 18, 13, 29, 34, 15, 31, 36]
  

• C₃H₅O₁
  Fragment probability: 0.58
  Fragment mass: 57.071
  Fragment main chain atoms: [3, 2, 1]
  Fragment all atoms: [3, 23, 24, 18, 2, 22, 1, 20, 21]
  

• C₂H₃O₁
  Fragment probability: 0.62
  Fragment mass: 57.071
  Fragment main chain atoms: [3, 2]
  Fragment all atoms: [3, 23, 24, 18, 2, 22]
  

• C₂H₅O₂
  Fragment probability: 0.97
  Fragment mass: 73.07039999999999
  Fragment main chain atoms: [5, 7]
  Fragment all atoms: [5, 27, 28, 12, 33, 7, 30, 14, 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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