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

Submission ID: 9TN
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.54

List of identified carbohydrate fragments:

• C₁₀H₁₁O₅
  Fragment probability: 1.00
  Fragment mass: 138.1205
  Fragment main chain atoms: [30, 29, 27, 40, 25]
  Fragment all atoms: [30, 19, 78, 15, 76, 77, 32, 83, 37, 85, 29, 7, 60, 61, 62, 36, 84, 27, 35, 40, 25, 82, 21, 17, 22, 79]
  

• C₅H₇O₂
  Fragment probability: 0.55
  Fragment mass: 84.07320000000001
  Fragment main chain atoms: [26, 16, 3]
  Fragment all atoms: [26, 34, 39, 16, 9, 65, 2, 45, 46, 47, 3, 48, 49, 50]
  

• C₂O₂
  Fragment probability: 0.90
  Fragment mass: 84.07320000000001
  Fragment main chain atoms: [26, 16]
  Fragment all atoms: [26, 34, 39, 16]
  

• C₂H₄
  Fragment probability: 0.50
  Fragment mass: 40.0637
  Fragment main chain atoms: [2, 9]
  Fragment all atoms: [2, 45, 46, 47, 9, 65]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 84.07319999999999
  Fragment main chain atoms: [3, 16]
  Fragment all atoms: [3, 48, 49, 50, 16]
  

• C₃H₄
  Fragment probability: 0.33
  Fragment mass: 99.10759999999999
  Fragment main chain atoms: [9, 16]
  Fragment all atoms: [9, 65, 2, 45, 46, 47, 16]
  

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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