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

Submission ID: DBK
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.50

List of identified carbohydrate fragments:

• C₁₀H₁₀O₅
  Fragment probability: 1.00
  Fragment mass: 137.11260000000001
  Fragment main chain atoms: [29, 43, 31, 33, 34]
  Fragment all atoms: [29, 94, 28, 22, 24, 91, 43, 31, 38, 33, 7, 63, 64, 65, 39, 95, 34, 26, 93, 20, 89, 90, 42, 40, 96]
  

• C₅H₇O₂
  Fragment probability: 0.55
  Fragment mass: 84.07320000000001
  Fragment main chain atoms: [30, 21, 3]
  Fragment all atoms: [30, 37, 41, 21, 9, 68, 2, 48, 49, 50, 3, 51, 52, 53]
  

• C₂O₂
  Fragment probability: 0.90
  Fragment mass: 84.07320000000001
  Fragment main chain atoms: [30, 21]
  Fragment all atoms: [30, 37, 41, 21]
  

• C₂H₄
  Fragment probability: 0.50
  Fragment mass: 40.0637
  Fragment main chain atoms: [2, 9]
  Fragment all atoms: [2, 48, 49, 50, 9, 68]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 84.07319999999999
  Fragment main chain atoms: [3, 21]
  Fragment all atoms: [3, 51, 52, 53, 21]
  

• C₃H₄
  Fragment probability: 0.33
  Fragment mass: 99.10759999999999
  Fragment main chain atoms: [9, 21]
  Fragment all atoms: [9, 68, 2, 48, 49, 50, 21]
  

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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