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

Submission ID: HGR
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.78

List of identified carbohydrate fragments:

• C₆H₉N₁O₅
  Fragment probability: 1.00
  Fragment mass: 176.14690000000004
  Fragment main chain atoms: [14, 16, 21, 20, 15, 13]
  Fragment all atoms: [14, 51, 27, 61, 16, 53, 29, 63, 21, 58, 34, 20, 57, 33, 15, 52, 28, 62, 13, 50, 24]
  

• C₆H₉O₅
  Fragment probability: 1.00
  Fragment mass: 146.0979
  Fragment main chain atoms: [18, 17, 19, 36, 23]
  Fragment all atoms: [18, 55, 31, 65, 17, 54, 30, 64, 19, 56, 9, 2, 40, 41, 42, 25, 36, 23, 59, 35]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 68.07379999999999
  Fragment main chain atoms: [1, 8]
  Fragment all atoms: [1, 37, 38, 39, 8]
  

• C₄H₄N₁O₁
  Fragment probability: 0.33
  Fragment mass: 80.08449999999999
  Fragment main chain atoms: [5, 8, 22]
  Fragment all atoms: [5, 46, 8, 1, 37, 38, 39, 22, 32, 24]
  

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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