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

Submission ID: EJA
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.58
• Compound probability: 0.93

List of identified carbohydrate fragments:

• C₆H₇N₂O₄
  Fragment probability: 0.54
  Fragment mass: 205.21130000000005
  Fragment main chain atoms: [5, 1, 4, 14, 2, 3, 6]
  Fragment all atoms: [5, 10, 9, 22, 1, 15, 16, 4, 8, 14, 2, 17, 18, 3, 19, 7, 6, 12, 11, 23]
  

• C₃H₃O₂
  Fragment probability: 0.58
  Fragment mass: 85.06129999999999
  Fragment main chain atoms: [5, 1, 4]
  Fragment all atoms: [5, 10, 9, 22, 1, 15, 16, 4]
  

• C₄H₄N₁O₂
  Fragment probability: 0.44
  Fragment mass: 146.18720000000002
  Fragment main chain atoms: [6, 3, 2, 14, 4]
  Fragment all atoms: [6, 12, 11, 23, 3, 19, 7, 2, 17, 18, 14, 4]
  

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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