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

Submission ID: 2OT
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.57

List of identified carbohydrate fragments:

• C₅H₇N₁O₄
  Fragment probability: 1.00
  Fragment mass: 145.1131
  Fragment main chain atoms: [11, 10, 9, 27, 13]
  Fragment all atoms: [11, 47, 24, 10, 46, 18, 50, 9, 45, 7, 43, 44, 26, 27, 13, 48, 17]
  

• C₃H₇N₁O₂
  Fragment probability: 0.64
  Fragment mass: 118.134
  Fragment main chain atoms: [4, 5, 25, 16, 2]
  Fragment all atoms: [4, 38, 39, 24, 5, 40, 41, 25, 16, 2, 32, 33, 34]
  

• C₃H₇N₁O₂
  Fragment probability: 0.64
  Fragment mass: 118.134
  Fragment main chain atoms: [4, 5, 25, 16, 3]
  Fragment all atoms: [4, 38, 39, 24, 5, 40, 41, 25, 16, 3, 35, 36, 37]
  

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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