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

Submission ID: NX6
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.86
• Compound probability: 0.84

List of identified carbohydrate fragments:

• C₉H₉N₁O₆
  Fragment probability: 0.55
  Fragment mass: 202.14120000000003
  Fragment main chain atoms: [7, 19, 12, 13, 9, 6, 10]
  Fragment all atoms: [7, 27, 28, 8, 5, 4, 24, 23, 19, 12, 18, 13, 9, 29, 11, 17, 16, 32, 6, 25, 26, 10, 14, 15, 31]
  

• C₉H₈N₁O₄
  Fragment probability: 0.42
  Fragment mass: 157.12380000000002
  Fragment main chain atoms: [7, 19, 12, 13, 9, 11]
  Fragment all atoms: [7, 27, 28, 8, 5, 4, 24, 23, 19, 12, 18, 13, 9, 29, 6, 25, 26, 10, 11, 17, 16, 32]
  

• C₄H₅N₁O₄
  Fragment probability: 0.86
  Fragment mass: 132.0945
  Fragment main chain atoms: [10, 6, 9, 11]
  Fragment all atoms: [10, 14, 15, 31, 6, 25, 26, 9, 29, 13, 11, 17, 16, 32]
  

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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