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

Submission ID: 220
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.43
• Compound probability: 0.74

List of identified carbohydrate fragments:

• C₇H₁₀O₁
  Fragment probability: 0.43
  Fragment mass: 82.1003
  Fragment main chain atoms: [12, 14, 6]
  Fragment all atoms: [12, 38, 18, 14, 7, 31, 32, 4, 26, 27, 6, 30, 2, 22, 23, 1, 20, 21]
  

• C₂H₁O₁
  Fragment probability: 0.38
  Fragment mass: 68.07379999999999
  Fragment main chain atoms: [12, 14]
  Fragment all atoms: [12, 38, 18, 14]
  

• C₇H₁₀O₁
  Fragment probability: 0.43
  Fragment mass: 82.1003
  Fragment main chain atoms: [13, 15, 8]
  Fragment all atoms: [13, 39, 19, 15, 9, 34, 35, 5, 28, 29, 8, 33, 4, 26, 27, 7, 31, 32]
  

• C₄H₅
  Fragment probability: 0.31
  Fragment mass: 82.10029999999999
  Fragment main chain atoms: [6, 14]
  Fragment all atoms: [6, 30, 2, 22, 23, 1, 20, 21, 14]
  

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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