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

Submission ID: 0H3
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.58
• Compound probability: 0.44

List of identified carbohydrate fragments:

• C₅H₁₁N₁O₁
  Fragment probability: 0.50
  Fragment mass: 86.11209999999998
  Fragment main chain atoms: [10, 31, 12]
  Fragment all atoms: [10, 53, 54, 5, 45, 46, 1, 33, 34, 35, 31, 12, 57, 58, 9, 51, 52, 28]
  

• C₃H₇O₁
  Fragment probability: 0.58
  Fragment mass: 59.0868
  Fragment main chain atoms: [10, 5, 1]
  Fragment all atoms: [10, 53, 54, 31, 5, 45, 46, 1, 33, 34, 35]
  

• C₅H₁₁N₁O₁
  Fragment probability: 0.50
  Fragment mass: 102.15440000000001
  Fragment main chain atoms: [11, 32, 16, 2]
  Fragment all atoms: [11, 55, 56, 8, 49, 50, 24, 32, 16, 62, 3, 39, 40, 41, 2, 36, 37, 38]
  

• C₃H₇O₁
  Fragment probability: 0.58
  Fragment mass: 59.0868
  Fragment main chain atoms: [2, 16, 3]
  Fragment all atoms: [2, 36, 37, 38, 16, 62, 32, 3, 39, 40, 41]
  

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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