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

Submission ID: FJJ
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.48

List of identified carbohydrate fragments:

• C₆H₁₁O₆
  Fragment probability: 1.00
  Fragment mass: 179.14750000000006
  Fragment main chain atoms: [31, 30, 29, 25, 44, 32, 88, 42, 96, 87, 41, 95, 40, 86, 94]
  Fragment all atoms: [31, 30, 29, 25, 84, 20, 78, 79, 35, 91, 44, 32, 89, 43, 88, 42, 96, 87, 41, 95, 40, 86, 94]
  

• C₆H₁₁N₁O₃
  Fragment probability: 0.65
  Fragment mass: 115.13010000000001
  Fragment main chain atoms: [21, 23, 28, 24]
  Fragment all atoms: [21, 80, 81, 43, 23, 82, 34, 28, 85, 39, 93, 24, 83, 16, 71, 72, 12, 65, 66, 36, 92]
  

• C₃H₅N₁O₂
  Fragment probability: 0.64
  Fragment mass: 101.10360000000001
  Fragment main chain atoms: [21, 23, 28]
  Fragment all atoms: [21, 80, 81, 43, 23, 82, 34, 28, 85, 39, 93]
  

• C₆H₁₁N₁O₂
  Fragment probability: 0.58
  Fragment mass: 68.0969
  Fragment main chain atoms: [24, 28]
  Fragment all atoms: [24, 83, 16, 71, 72, 12, 65, 66, 36, 92, 28, 85, 23, 82, 21, 80, 81, 34, 39, 93]
  

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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