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

Submission ID: G4Z
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.67
• Compound probability: 0.44

List of identified carbohydrate fragments:

• C₄H₈N₁O₂
  Fragment probability: 0.67
  Fragment mass: 72.1054
  Fragment main chain atoms: [12, 13, 1]
  Fragment all atoms: [12, 36, 16, 37, 15, 13, 2, 22, 23, 24, 17, 1, 19, 20, 21]
  

• C₅H₁₁N₁O₂
  Fragment probability: 0.59
  Fragment mass: 98.103
  Fragment main chain atoms: [12, 15, 3]
  Fragment all atoms: [12, 36, 13, 2, 1, 22, 23, 24, 19, 20, 21, 17, 16, 37, 15, 3, 25, 26, 27]
  

• C₃H₆O₁
  Fragment probability: 0.67
  Fragment mass: 72.1054
  Fragment main chain atoms: [1, 13]
  Fragment all atoms: [1, 19, 20, 21, 13, 2, 22, 23, 24, 17]
  

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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