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

Submission ID: OCV
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.75
• Compound probability: 0.54

List of identified carbohydrate fragments:

• C₈H₁₂N₁O₄
  Fragment probability: 0.59
  Fragment mass: 127.09790000000001
  Fragment main chain atoms: [13, 11, 23, 14]
  Fragment all atoms: [13, 20, 21, 47, 11, 42, 7, 39, 1, 2, 25, 26, 27, 28, 29, 30, 23, 14, 9, 41, 6, 37, 38, 16, 22]
  

• C₅H₉O₃
  Fragment probability: 0.75
  Fragment mass: 117.12280000000001
  Fragment main chain atoms: [13, 11, 7, 1]
  Fragment all atoms: [13, 20, 21, 47, 11, 42, 23, 7, 39, 2, 28, 29, 30, 1, 25, 26, 27]
  

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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