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

Submission ID: 0QK
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.44

List of identified carbohydrate fragments:

• C₅H₈N₂O₃
  Fragment probability: 1.00
  Fragment mass: 144.1283
  Fragment main chain atoms: [22, 23, 26, 39, 21]
  Fragment all atoms: [22, 72, 36, 79, 23, 73, 37, 80, 26, 74, 35, 39, 21, 71, 15, 67, 68, 34]
  

• C₃H₇N₁
  Fragment probability: 0.36
  Fragment mass: 57.0941
  Fragment main chain atoms: [1, 17, 2]
  Fragment all atoms: [1, 40, 41, 42, 17, 70, 34, 2, 43, 44, 45]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 69.12459999999999
  Fragment main chain atoms: [3, 28]
  Fragment all atoms: [3, 46, 47, 48, 28]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 69.12459999999999
  Fragment main chain atoms: [4, 28]
  Fragment all atoms: [4, 49, 50, 51, 28]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 69.12459999999999
  Fragment main chain atoms: [5, 28]
  Fragment all atoms: [5, 52, 53, 54, 28]
  

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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