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

Submission ID: HYA
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.97
• Compound probability: 0.90

List of identified carbohydrate fragments:

• C₄H₇N₁O₃
  Fragment probability: 0.72
  Fragment mass: 89.0698
  Fragment main chain atoms: [4, 3, 8]
  Fragment all atoms: [4, 9, 18, 5, 3, 14, 2, 13, 1, 11, 12, 7, 16, 8, 17]
  

• C₄H₈N₁O₄
  Fragment probability: 0.89
  Fragment mass: 120.10360000000001
  Fragment main chain atoms: [1, 2, 3, 4]
  Fragment all atoms: [1, 11, 12, 6, 15, 2, 13, 7, 16, 3, 14, 8, 17, 4, 9, 18, 5]
  

• C₂H₅O₂
  Fragment probability: 0.97
  Fragment mass: 74.0783
  Fragment main chain atoms: [1, 2]
  Fragment all atoms: [1, 11, 12, 6, 15, 2, 13, 7, 16]
  

• C₂H₃N₁O₂
  Fragment probability: 0.78
  Fragment mass: 72.0625
  Fragment main chain atoms: [4, 3]
  Fragment all atoms: [4, 9, 18, 5, 3, 14, 8, 17]
  

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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