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

Submission ID: ELS
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.33

List of identified carbohydrate fragments:

• C₆H₁₁O₆
  Fragment probability: 1.00
  Fragment mass: 179.14750000000006
  Fragment main chain atoms: [50, 49, 48, 44, 63, 51, 146, 61, 155, 60, 145, 154, 59, 144, 153]
  Fragment all atoms: [50, 49, 48, 44, 142, 38, 136, 137, 54, 150, 63, 51, 147, 62, 146, 61, 155, 60, 145, 154, 59, 144, 153]
  

• C₆H₁₁N₁O₃
  Fragment probability: 0.65
  Fragment mass: 115.13010000000001
  Fragment main chain atoms: [39, 42, 47, 43]
  Fragment all atoms: [39, 138, 139, 62, 42, 140, 53, 47, 143, 58, 152, 43, 141, 31, 126, 127, 29, 122, 123, 55, 151]
  

• C₃H₅N₁O₂
  Fragment probability: 0.64
  Fragment mass: 101.10360000000001
  Fragment main chain atoms: [39, 42, 47]
  Fragment all atoms: [39, 138, 139, 62, 42, 140, 53, 47, 143, 58, 152]
  

• C₆H₁₁N₁O₂
  Fragment probability: 0.58
  Fragment mass: 68.0969
  Fragment main chain atoms: [43, 47]
  Fragment all atoms: [43, 141, 31, 126, 127, 29, 122, 123, 55, 151, 47, 143, 42, 140, 39, 138, 139, 53, 58, 152]
  

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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