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

Submission ID: EET
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.62
• Compound probability: 0.71

List of identified carbohydrate fragments:

• C₆H₁₁O₂
  Fragment probability: 0.62
  Fragment mass: 54.090199999999996
  Fragment main chain atoms: [18, 19]
  Fragment all atoms: [18, 54, 15, 48, 49, 12, 43, 44, 21, 56, 19, 55, 16, 50, 51, 13, 45, 22, 57]
  

• C₆H₈
  Fragment probability: 0.33
  Fragment mass: 54.090199999999996
  Fragment main chain atoms: [4, 6]
  Fragment all atoms: [4, 32, 5, 33, 34, 7, 36, 6, 35, 8, 37, 38, 10, 40]
  

• C₆H₉
  Fragment probability: 0.38
  Fragment mass: 54.090199999999996
  Fragment main chain atoms: [7, 9]
  Fragment all atoms: [7, 36, 5, 33, 34, 4, 32, 9, 39, 11, 41, 42, 14, 46, 47]
  

• C₆H₈
  Fragment probability: 0.33
  Fragment mass: 54.090199999999996
  Fragment main chain atoms: [10, 13]
  Fragment all atoms: [10, 40, 8, 37, 38, 6, 35, 13, 45, 16, 50, 51, 19, 55]
  

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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