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

Submission ID: YJA
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.59
• Compound probability: 0.27

List of identified carbohydrate fragments:

• C₅H₁₁N₁O₂
  Fragment probability: 0.59
  Fragment mass: 145.1791
  Fragment main chain atoms: [11, 10, 34, 9, 4, 12]
  Fragment all atoms: [11, 54, 55, 35, 67, 10, 52, 53, 34, 9, 50, 51, 4, 44, 45, 12, 56, 57, 37]
  

• C₄H₁₀N₁O₁
  Fragment probability: 0.44
  Fragment mass: 116.16109999999999
  Fragment main chain atoms: [11, 10, 34, 2, 1]
  Fragment all atoms: [11, 54, 55, 35, 67, 10, 52, 53, 34, 2, 41, 42, 1, 38, 39, 40]
  

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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