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

Submission ID: MAY
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.38
• Compound probability: 0.60

List of identified carbohydrate fragments:

• C₆H₉
  Fragment probability: 0.38
  Fragment mass: 54.090199999999996
  Fragment main chain atoms: [7, 8]
  Fragment all atoms: [7, 40, 6, 38, 39, 5, 36, 37, 8, 41, 9, 42, 43, 10, 44]
  

• C₆H₈
  Fragment probability: 0.33
  Fragment mass: 54.090199999999996
  Fragment main chain atoms: [10, 11]
  Fragment all atoms: [10, 44, 9, 42, 43, 8, 41, 11, 45, 12, 46, 47, 13, 48]
  

• C₆H₈
  Fragment probability: 0.33
  Fragment mass: 54.090199999999996
  Fragment main chain atoms: [13, 14]
  Fragment all atoms: [13, 48, 12, 46, 47, 11, 45, 14, 49, 15, 50, 51, 16, 52]
  

• C₆H₉
  Fragment probability: 0.38
  Fragment mass: 54.090199999999996
  Fragment main chain atoms: [16, 17]
  Fragment all atoms: [16, 52, 15, 50, 51, 14, 49, 17, 53, 18, 54, 55, 19, 56, 57]
  

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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