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

Submission ID: PLA
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.93
• Compound probability: 0.40

List of identified carbohydrate fragments:

• C₅H₇N₁O₄
  Fragment probability: 0.68
  Fragment mass: 131.1064
  Fragment main chain atoms: [10, 3, 13, 12]
  Fragment all atoms: [10, 16, 17, 40, 3, 32, 33, 13, 2, 29, 30, 31, 15, 12, 19, 20, 42]
  

• C₃H₃O₂
  Fragment probability: 0.58
  Fragment mass: 131.1064
  Fragment main chain atoms: [10, 3, 13]
  Fragment all atoms: [10, 16, 17, 40, 3, 32, 33, 13]
  

• C₅H₆N₁O₂
  Fragment probability: 0.45
  Fragment mass: 86.08900000000001
  Fragment main chain atoms: [12, 13, 2]
  Fragment all atoms: [12, 19, 20, 42, 13, 3, 32, 33, 10, 15, 2, 29, 30, 31]
  

• C₂H₁O₂
  Fragment probability: 0.93
  Fragment mass: 86.08900000000001
  Fragment main chain atoms: [12, 13]
  Fragment all atoms: [12, 19, 20, 42, 13]
  

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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