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

Submission ID: NHO
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:

• C₅H₈N₁O₄
  Fragment probability: 1.00
  Fragment mass: 146.121
  Fragment main chain atoms: [19, 17, 13, 50, 24]
  Fragment all atoms: [19, 72, 39, 85, 17, 70, 37, 83, 13, 67, 5, 60, 61, 48, 50, 24, 74, 33]
  

• C₅H₈N₁O₄
  Fragment probability: 1.00
  Fragment mass: 146.121
  Fragment main chain atoms: [18, 20, 25, 51, 14]
  Fragment all atoms: [18, 71, 38, 84, 20, 73, 40, 86, 25, 75, 34, 51, 14, 68, 6, 62, 63, 49]
  

• C₂H₄O₃
  Fragment probability: 0.97
  Fragment mass: 262.0482
  Fragment main chain atoms: [5, 48, 53, 52, 54, 49, 6]
  Fragment all atoms: [5, 60, 61, 48, 53, 52, 54, 49, 6, 62, 63]
  

• C₄H₄N₁O₃
  Fragment probability: 0.56
  Fragment mass: 130.1216
  Fragment main chain atoms: [26, 11, 3, 12]
  Fragment all atoms: [26, 42, 43, 87, 11, 66, 27, 3, 57, 58, 12, 35]
  

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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