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

Submission ID: D77
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.69
• Compound probability: 0.32

List of identified carbohydrate fragments:

• C₇H₇O₅
  Fragment probability: 0.61
  Fragment mass: 129.0906
  Fragment main chain atoms: [26, 25, 27, 1]
  Fragment all atoms: [26, 38, 40, 25, 55, 37, 61, 27, 29, 16, 28, 53, 41, 39, 62, 1, 42, 43, 44]
  

• C₄H₅O₃
  Fragment probability: 0.69
  Fragment mass: 73.0704
  Fragment main chain atoms: [26, 40, 2]
  Fragment all atoms: [26, 25, 55, 27, 37, 61, 38, 40, 2, 45, 46, 47]
  

• C₈H₁₀O₅
  Fragment probability: 0.62
  Fragment mass: 144.12499999999997
  Fragment main chain atoms: [1, 27, 25, 26, 40, 2]
  Fragment all atoms: [1, 42, 43, 44, 27, 29, 16, 28, 53, 41, 39, 62, 25, 55, 37, 61, 26, 38, 40, 2, 45, 46, 47]
  

• C₅H₅O₂
  Fragment probability: 0.45
  Fragment mass: 68.07379999999999
  Fragment main chain atoms: [1, 27]
  Fragment all atoms: [1, 42, 43, 44, 27, 29, 16, 28, 53, 41, 39, 62]
  

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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