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

Submission ID: BID
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.58
• Compound probability: 0.32

List of identified carbohydrate fragments:

• C₆H₁₀O₁
  Fragment probability: 0.50
  Fragment mass: 85.124
  Fragment main chain atoms: [29, 31, 43]
  Fragment all atoms: [29, 22, 5, 98, 26, 105, 63, 64, 65, 31, 109, 7, 69, 70, 71, 43, 117]
  

• C₂H₄
  Fragment probability: 0.50
  Fragment mass: 41.0716
  Fragment main chain atoms: [1, 8]
  Fragment all atoms: [1, 51, 52, 53, 8, 72]
  

• C₃H₅O₁
  Fragment probability: 0.58
  Fragment mass: 85.12400000000001
  Fragment main chain atoms: [7, 31, 29]
  Fragment all atoms: [7, 69, 70, 71, 31, 109, 43, 117, 29]
  

• C₃H₅
  Fragment probability: 0.42
  Fragment mass: 69.0817
  Fragment main chain atoms: [8, 11]
  Fragment all atoms: [8, 72, 1, 51, 52, 53, 11, 77]
  

• C₆H₈O₁
  Fragment probability: 0.42
  Fragment mass: 67.10879999999999
  Fragment main chain atoms: [8, 11, 32]
  Fragment all atoms: [8, 72, 1, 51, 52, 53, 11, 77, 32, 23, 99, 100, 34, 111, 44]
  

• C₅H₇
  Fragment probability: 0.35
  Fragment mass: 83.1082
  Fragment main chain atoms: [22, 29]
  Fragment all atoms: [22, 98, 26, 105, 14, 2, 82, 83, 54, 55, 56, 29]
  

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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