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

Submission ID: 3PM
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.83
• Compound probability: 1.00

List of identified carbohydrate fragments:

• C₃H₄N₁O₃
  Fragment probability: 0.83
  Fragment mass: 104.08439999999999
  Fragment main chain atoms: [4, 5, 6]
  Fragment all atoms: [4, 21, 22, 11, 5, 23, 8, 6, 9, 10, 26]
  

• C₇H₁₂N₁O₁
  Fragment probability: 0.47
  Fragment mass: 116.18090000000001
  Fragment main chain atoms: [4, 11, 7, 1]
  Fragment all atoms: [4, 21, 22, 5, 23, 6, 8, 11, 7, 2, 3, 15, 16, 17, 18, 19, 20, 1, 12, 13, 14]
  

• C₇H₁₃N₁O₃
  Fragment probability: 0.63
  Fragment mass: 161.1983
  Fragment main chain atoms: [6, 5, 4, 11, 7, 1]
  Fragment all atoms: [6, 9, 10, 26, 5, 23, 8, 4, 21, 22, 11, 7, 2, 3, 15, 16, 17, 18, 19, 20, 1, 12, 13, 14]
  

• C₄H₉O₁
  Fragment probability: 0.56
  Fragment mass: 57.113899999999994
  Fragment main chain atoms: [1, 7, 2]
  Fragment all atoms: [1, 12, 13, 14, 7, 3, 18, 19, 20, 11, 2, 15, 16, 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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