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

Submission ID: 1E2
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.83

List of identified carbohydrate fragments:

• C₆H₁₀O₅
  Fragment probability: 1.00
  Fragment mass: 162.14020000000005
  Fragment main chain atoms: [10, 9, 8, 7, 22, 11, 16, 37, 42, 36, 15, 41, 35, 14, 40]
  Fragment all atoms: [10, 9, 8, 7, 34, 4, 31, 32, 22, 11, 38, 21, 16, 37, 42, 36, 15, 41, 35, 14, 40]
  

• C₃H₆O₃
  Fragment probability: 1.00
  Fragment mass: 90.0777
  Fragment main chain atoms: [2, 6, 3]
  Fragment all atoms: [2, 27, 28, 20, 6, 33, 13, 39, 3, 29, 30, 21]
  

• C₃H₅O₂
  Fragment probability: 0.75
  Fragment mass: 87.0969
  Fragment main chain atoms: [2, 20, 5]
  Fragment all atoms: [2, 27, 28, 20, 5, 1, 24, 25, 26, 12]
  

• C₅H₉O₄
  Fragment probability: 0.85
  Fragment mass: 117.1228
  Fragment main chain atoms: [3, 6, 2, 20, 5]
  Fragment all atoms: [3, 29, 30, 21, 6, 33, 13, 39, 2, 27, 28, 20, 5, 1, 24, 25, 26, 12]
  

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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