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

Submission ID: NAQ
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.46

List of identified carbohydrate fragments:

• C₅H₈N₁O₄
  Fragment probability: 1.00
  Fragment mass: 146.121
  Fragment main chain atoms: [20, 18, 15, 46, 25]
  Fragment all atoms: [20, 73, 37, 83, 18, 71, 35, 81, 15, 69, 7, 62, 63, 44, 46, 25, 75, 32]
  

• C₅H₈N₁O₄
  Fragment probability: 1.00
  Fragment mass: 146.121
  Fragment main chain atoms: [19, 21, 26, 47, 16]
  Fragment all atoms: [19, 72, 36, 82, 21, 74, 38, 84, 26, 76, 33, 47, 16, 70, 8, 64, 65, 45]
  

• C₂H₄O₃
  Fragment probability: 0.97
  Fragment mass: 261.0403
  Fragment main chain atoms: [7, 44, 49, 48, 50, 45, 8]
  Fragment all atoms: [7, 62, 63, 44, 49, 48, 50, 45, 8, 64, 65]
  

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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