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

Submission ID: SLF
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.38

List of identified carbohydrate fragments:

• C₆H₁₀O₆
  Fragment probability: 1.00
  Fragment mass: 178.13960000000006
  Fragment main chain atoms: [40, 41, 39, 37, 53, 42, 48, 128, 135, 47, 127, 134]
  Fragment all atoms: [40, 41, 129, 54, 39, 37, 126, 33, 120, 121, 44, 132, 53, 42, 130, 52, 48, 128, 135, 47, 127, 134]
  

• C₆H₉N₁O₁
  Fragment probability: 0.42
  Fragment mass: 84.0963
  Fragment main chain atoms: [31, 36, 45]
  Fragment all atoms: [31, 117, 29, 114, 27, 110, 111, 36, 125, 35, 124, 34, 122, 123, 43, 45, 133]
  

• C₇H₁₁N₁O₂
  Fragment probability: 0.50
  Fragment mass: 128.14870000000002
  Fragment main chain atoms: [34, 35, 36, 31, 29]
  Fragment all atoms: [34, 122, 123, 52, 35, 124, 43, 36, 125, 45, 133, 31, 117, 29, 114, 27, 110, 111, 25, 106, 107]
  

• C₄H₆N₁O₂
  Fragment probability: 0.56
  Fragment mass: 114.12220000000002
  Fragment main chain atoms: [34, 35, 36, 31]
  Fragment all atoms: [34, 122, 123, 52, 35, 124, 43, 36, 125, 45, 133, 31, 117]
  

• C₆H₉O₁
  Fragment probability: 0.46
  Fragment mass: 70.0896
  Fragment main chain atoms: [29, 31]
  Fragment all atoms: [29, 114, 27, 110, 111, 25, 106, 107, 31, 117, 36, 125, 35, 124, 45, 133]
  

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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