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

Submission ID: 5J7
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:

• C₆H₁₀O₆
  Fragment probability: 1.00
  Fragment mass: 178.13960000000006
  Fragment main chain atoms: [31, 29, 27, 22, 54, 35, 50, 77, 92, 75, 48, 90, 74, 46, 89]
  Fragment all atoms: [31, 29, 27, 22, 72, 11, 69, 70, 51, 54, 35, 79, 56, 50, 77, 92, 75, 48, 90, 74, 46, 89]
  

• C₆H₁₀O₅
  Fragment probability: 1.00
  Fragment mass: 162.14020000000005
  Fragment main chain atoms: [52, 36, 34, 30, 25, 12, 76, 49, 91, 73, 44, 87]
  Fragment all atoms: [52, 36, 80, 55, 34, 78, 56, 30, 25, 12, 71, 1, 57, 58, 59, 76, 49, 91, 73, 44, 87]
  

• C₂H₂O₂
  Fragment probability: 0.95
  Fragment mass: 84.0732
  Fragment main chain atoms: [11, 51, 23]
  Fragment all atoms: [11, 69, 70, 51, 23, 43]
  

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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