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

Submission ID: PMG
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.93
• Compound probability: 0.42

List of identified carbohydrate fragments:

• C₆H₉N₁O₄
  Fragment probability: 0.65
  Fragment mass: 145.1329
  Fragment main chain atoms: [11, 3, 4, 14, 13]
  Fragment all atoms: [11, 17, 18, 43, 3, 33, 34, 4, 35, 36, 14, 2, 30, 31, 32, 16, 13, 20, 21, 45]
  

• C₄H₅O₂
  Fragment probability: 0.56
  Fragment mass: 145.1329
  Fragment main chain atoms: [11, 3, 4, 14]
  Fragment all atoms: [11, 17, 18, 43, 3, 33, 34, 4, 35, 36, 14]
  

• C₅H₈N₁O₂
  Fragment probability: 0.55
  Fragment mass: 86.08900000000001
  Fragment main chain atoms: [13, 14, 2]
  Fragment all atoms: [13, 20, 21, 45, 14, 4, 35, 36, 3, 33, 34, 16, 2, 30, 31, 32]
  

• C₂H₁O₂
  Fragment probability: 0.93
  Fragment mass: 86.08900000000001
  Fragment main chain atoms: [13, 14]
  Fragment all atoms: [13, 20, 21, 45, 14]
  

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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