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

Submission ID: BQO
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.67

List of identified carbohydrate fragments:

• C₅H₈N₁O₄
  Fragment probability: 1.00
  Fragment mass: 146.121
  Fragment main chain atoms: [10, 11, 12, 25, 8]
  Fragment all atoms: [10, 39, 19, 45, 11, 40, 20, 46, 12, 41, 16, 25, 8, 38, 5, 34, 35, 24]
  

• C₅H₈N₁O₃
  Fragment probability: 0.64
  Fragment mass: 225.13590000000008
  Fragment main chain atoms: [4, 7, 6, 26, 27, 24, 5]
  Fragment all atoms: [4, 33, 17, 7, 37, 14, 6, 36, 1, 28, 29, 30, 26, 27, 24, 5, 34, 35]
  

• C₄H₆N₁O₂
  Fragment probability: 0.56
  Fragment mass: 102.1115
  Fragment main chain atoms: [4, 7, 6, 1]
  Fragment all atoms: [4, 33, 17, 7, 37, 14, 6, 36, 26, 1, 28, 29, 30]
  

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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