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

Submission ID: HDL
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.97
• Compound probability: 0.92

List of identified carbohydrate fragments:

• C₅H₇N₁O₆
  Fragment probability: 0.79
  Fragment mass: 163.10520000000005
  Fragment main chain atoms: [5, 3, 1, 2, 4]
  Fragment all atoms: [5, 11, 12, 21, 3, 16, 9, 20, 1, 14, 7, 18, 2, 15, 8, 19, 4, 10, 6]
  

• C₅H₇O₅
  Fragment probability: 0.97
  Fragment mass: 118.08780000000002
  Fragment main chain atoms: [5, 3, 1]
  Fragment all atoms: [5, 11, 12, 21, 3, 16, 9, 20, 1, 14, 2, 15, 4, 8, 19, 7, 18]
  

• C₃H₄N₁O₃
  Fragment probability: 0.83
  Fragment mass: 101.08050000000001
  Fragment main chain atoms: [4, 2, 1]
  Fragment all atoms: [4, 10, 6, 2, 15, 8, 19, 1, 14, 7, 18]
  

• C₂H₂N₁O₂
  Fragment probability: 0.76
  Fragment mass: 71.05460000000001
  Fragment main chain atoms: [4, 2]
  Fragment all atoms: [4, 10, 6, 2, 15, 8, 19]
  

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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