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

Submission ID: AMB
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.75
• Compound probability: 1.00

List of identified carbohydrate fragments:

• C₄H₄N₁O₃
  Fragment probability: 0.56
  Fragment mass: 116.09509999999999
  Fragment main chain atoms: [3, 2, 4, 5]
  Fragment all atoms: [3, 14, 9, 2, 13, 4, 15, 6, 5, 7, 8, 18]
  

• C₂H₄O₁
  Fragment probability: 0.75
  Fragment mass: 57.071
  Fragment main chain atoms: [3, 9, 1]
  Fragment all atoms: [3, 14, 9, 1, 10, 11, 12]
  

• C₅H₇N₁O₃
  Fragment probability: 0.59
  Fragment mass: 131.12949999999998
  Fragment main chain atoms: [5, 4, 2, 3, 9, 1]
  Fragment all atoms: [5, 7, 8, 18, 4, 15, 6, 2, 13, 3, 14, 9, 1, 10, 11, 12]
  

• C₃H₃N₁O₂
  Fragment probability: 0.50
  Fragment mass: 116.0951
  Fragment main chain atoms: [5, 4, 2]
  Fragment all atoms: [5, 7, 8, 18, 4, 15, 6, 2, 13]
  

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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