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

Submission ID: M3P
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.62
• Compound probability: 1.00

List of identified carbohydrate fragments:

• C₅H₅O₃
  Fragment probability: 0.55
  Fragment mass: 100.0726
  Fragment main chain atoms: [4, 6, 9]
  Fragment all atoms: [4, 17, 2, 15, 3, 16, 6, 7, 10, 11, 19, 9, 18]
  

• C₄H₄O₃
  Fragment probability: 0.62
  Fragment mass: 113.09120000000003
  Fragment main chain atoms: [7, 6, 4, 2]
  Fragment all atoms: [7, 10, 11, 19, 6, 9, 18, 4, 17, 2, 15]
  

• C₂H₃O₁
  Fragment probability: 0.62
  Fragment mass: 40.0637
  Fragment main chain atoms: [1, 5]
  Fragment all atoms: [1, 12, 13, 14, 5, 8]
  

• C₃H₃O₁
  Fragment probability: 0.42
  Fragment mass: 96.0839
  Fragment main chain atoms: [2, 4, 6]
  Fragment all atoms: [2, 15, 4, 17, 6, 9, 18]
  

• C₄H₄O₁
  Fragment probability: 0.38
  Fragment mass: 83.0653
  Fragment main chain atoms: [4, 6]
  Fragment all atoms: [4, 17, 2, 15, 3, 16, 6, 9, 18]
  

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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