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

Submission ID: 78D
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.58
• Compound probability: 0.64

List of identified carbohydrate fragments:

• C₆H₈N₁O₂
  Fragment probability: 0.46
  Fragment mass: 84.09630000000001
  Fragment main chain atoms: [13, 22, 16]
  Fragment all atoms: [13, 43, 44, 8, 33, 34, 6, 30, 22, 16, 14, 45, 10, 37, 38, 18, 21]
  

• C₃H₅O₁
  Fragment probability: 0.58
  Fragment mass: 70.0896
  Fragment main chain atoms: [13, 8, 6]
  Fragment all atoms: [13, 43, 44, 22, 8, 33, 34, 6, 30]
  

• C₄H₆
  Fragment probability: 0.38
  Fragment mass: 53.0823
  Fragment main chain atoms: [1, 2]
  Fragment all atoms: [1, 23, 3, 25, 26, 5, 28, 29, 2, 24]
  

• C₄H₅
  Fragment probability: 0.31
  Fragment mass: 52.0744
  Fragment main chain atoms: [2, 4]
  Fragment all atoms: [2, 24, 1, 23, 3, 25, 26, 4, 27]
  

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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