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

Submission ID: 66B
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.42
• Compound probability: 0.70

List of identified carbohydrate fragments:

• C₆H₁₀
  Fragment probability: 0.42
  Fragment mass: 54.090199999999996
  Fragment main chain atoms: [3, 4]
  Fragment all atoms: [3, 33, 2, 31, 32, 1, 28, 29, 30, 4, 34, 5, 35, 36, 6, 37]
  

• C₆H₈
  Fragment probability: 0.33
  Fragment mass: 54.090199999999996
  Fragment main chain atoms: [6, 7]
  Fragment all atoms: [6, 37, 5, 35, 36, 4, 34, 7, 38, 8, 39, 40, 9, 41]
  

• C₆H₈
  Fragment probability: 0.33
  Fragment mass: 54.090199999999996
  Fragment main chain atoms: [9, 10]
  Fragment all atoms: [9, 41, 8, 39, 40, 7, 38, 10, 42, 11, 43, 44, 12, 45]
  

• C₆H₉
  Fragment probability: 0.38
  Fragment mass: 54.090199999999996
  Fragment main chain atoms: [12, 13]
  Fragment all atoms: [12, 45, 11, 43, 44, 10, 42, 13, 46, 14, 47, 48, 15, 49, 50]
  

• C₆H₈
  Fragment probability: 0.33
  Fragment mass: 54.090199999999996
  Fragment main chain atoms: [16, 17]
  Fragment all atoms: [16, 51, 15, 49, 50, 14, 47, 48, 17, 52, 20, 57, 58, 23]
  

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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