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

Submission ID: SG5
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.86

List of identified carbohydrate fragments:

• C₆H₈O₆
  Fragment probability: 1.00
  Fragment mass: 176.12380000000002
  Fragment main chain atoms: [8, 24, 15, 14, 13, 12, 20, 50, 53]
  Fragment all atoms: [8, 46, 7, 44, 45, 23, 24, 15, 14, 49, 27, 13, 48, 26, 12, 47, 25, 20, 50, 53]
  

• C₃H₅O₂
  Fragment probability: 0.75
  Fragment mass: 73.0704
  Fragment main chain atoms: [9, 4, 1]
  Fragment all atoms: [9, 17, 25, 4, 38, 39, 1, 29, 30, 31]
  

• C₃H₅O₂
  Fragment probability: 0.75
  Fragment mass: 73.0704
  Fragment main chain atoms: [10, 5, 2]
  Fragment all atoms: [10, 18, 26, 5, 40, 41, 2, 32, 33, 34]
  

• C₃H₅O₂
  Fragment probability: 0.75
  Fragment mass: 73.0704
  Fragment main chain atoms: [11, 6, 3]
  Fragment all atoms: [11, 19, 27, 6, 42, 43, 3, 35, 36, 37]
  

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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