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

Submission ID: NA4
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.61
• Compound probability: 0.40

List of identified carbohydrate fragments:

• C₄H₅N₁O₃
  Fragment probability: 0.61
  Fragment mass: 116.0951
  Fragment main chain atoms: [9, 14, 6, 15]
  Fragment all atoms: [9, 35, 20, 14, 36, 19, 6, 31, 32, 15, 21, 22, 38]
  

• C₅H₄N₁O₂
  Fragment probability: 0.36
  Fragment mass: 95.0991
  Fragment main chain atoms: [9, 14, 19, 16]
  Fragment all atoms: [9, 35, 20, 14, 36, 6, 31, 32, 15, 19, 16, 23]
  

• C₅H₅N₁O₄
  Fragment probability: 0.59
  Fragment mass: 140.11649999999997
  Fragment main chain atoms: [15, 6, 14, 19, 16]
  Fragment all atoms: [15, 21, 22, 38, 6, 31, 32, 14, 36, 9, 35, 20, 19, 16, 23]
  

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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