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

Submission ID: EMG
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.36

List of identified carbohydrate fragments:

• C₆H₁₁O₆
  Fragment probability: 1.00
  Fragment mass: 179.14750000000006
  Fragment main chain atoms: [45, 44, 43, 39, 58, 46, 131, 56, 140, 55, 130, 139, 54, 129, 138]
  Fragment all atoms: [45, 44, 43, 39, 127, 34, 121, 122, 49, 135, 58, 46, 132, 57, 131, 56, 140, 55, 130, 139, 54, 129, 138]
  

• C₆H₁₁N₁O₃
  Fragment probability: 0.65
  Fragment mass: 115.13010000000001
  Fragment main chain atoms: [35, 37, 42, 38]
  Fragment all atoms: [35, 123, 124, 57, 37, 125, 48, 42, 128, 53, 137, 38, 126, 30, 113, 114, 26, 107, 108, 50, 136]
  

• C₃H₅N₁O₂
  Fragment probability: 0.64
  Fragment mass: 101.10360000000001
  Fragment main chain atoms: [35, 37, 42]
  Fragment all atoms: [35, 123, 124, 57, 37, 125, 48, 42, 128, 53, 137]
  

• C₆H₁₁N₁O₂
  Fragment probability: 0.58
  Fragment mass: 68.0969
  Fragment main chain atoms: [38, 42]
  Fragment all atoms: [38, 126, 30, 113, 114, 26, 107, 108, 50, 136, 42, 128, 37, 125, 35, 123, 124, 48, 53, 137]
  

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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