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

Submission ID: FEE
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.43

List of identified carbohydrate fragments:

• C₆H₁₁O₆
  Fragment probability: 1.00
  Fragment mass: 179.14750000000006
  Fragment main chain atoms: [38, 37, 36, 33, 49, 39, 47, 118, 126, 46, 117, 125, 45, 116, 124]
  Fragment all atoms: [38, 37, 36, 33, 114, 29, 108, 109, 41, 121, 49, 39, 119, 48, 47, 118, 126, 46, 117, 125, 45, 116, 124]
  

• C₆H₁₁N₁O₃
  Fragment probability: 0.65
  Fragment mass: 115.13010000000001
  Fragment main chain atoms: [30, 31, 35, 32]
  Fragment all atoms: [30, 110, 111, 48, 31, 112, 40, 35, 115, 44, 123, 32, 113, 27, 104, 105, 25, 100, 101, 42, 122]
  

• C₃H₅N₁O₂
  Fragment probability: 0.64
  Fragment mass: 101.10360000000001
  Fragment main chain atoms: [30, 31, 35]
  Fragment all atoms: [30, 110, 111, 48, 31, 112, 40, 35, 115, 44, 123]
  

• C₆H₁₁N₁O₂
  Fragment probability: 0.58
  Fragment mass: 68.0969
  Fragment main chain atoms: [32, 35]
  Fragment all atoms: [32, 113, 27, 104, 105, 25, 100, 101, 42, 122, 35, 115, 31, 112, 30, 110, 111, 40, 44, 123]
  

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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