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

Submission ID: VAZ
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.99
• Compound probability: 0.54

List of identified carbohydrate fragments:

• C₆H₇N₁O₅
  Fragment probability: 0.65
  Fragment mass: 144.1052
  Fragment main chain atoms: [11, 9, 24, 12]
  Fragment all atoms: [11, 19, 20, 46, 9, 40, 13, 41, 22, 47, 24, 12, 7, 39, 5, 36, 37, 15, 21]
  

• C₄H₇O₄
  Fragment probability: 0.99
  Fragment mass: 151.1607
  Fragment main chain atoms: [11, 9, 13, 25, 1]
  Fragment all atoms: [11, 19, 20, 46, 9, 40, 24, 13, 41, 22, 47, 25, 1, 27, 28, 29]
  

• C₅H₅N₁O₄
  Fragment probability: 0.59
  Fragment mass: 111.09850000000002
  Fragment main chain atoms: [12, 24, 9]
  Fragment all atoms: [12, 7, 39, 5, 36, 37, 15, 21, 24, 9, 40, 11, 19, 20, 46]
  

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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