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

Submission ID: 4M5
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.38
• Compound probability: 0.84

List of identified carbohydrate fragments:

• C₆H₉
  Fragment probability: 0.38
  Fragment mass: 54.090199999999996
  Fragment main chain atoms: [3, 15]
  Fragment all atoms: [3, 31, 2, 29, 30, 1, 26, 27, 28, 15, 46, 18, 51, 52, 21]
  

• C₆H₈
  Fragment probability: 0.33
  Fragment mass: 54.090199999999996
  Fragment main chain atoms: [5, 7]
  Fragment all atoms: [5, 34, 4, 32, 33, 6, 35, 7, 36, 9, 38, 39, 11, 42]
  

• C₆H₈
  Fragment probability: 0.33
  Fragment mass: 54.090199999999996
  Fragment main chain atoms: [6, 8]
  Fragment all atoms: [6, 35, 4, 32, 33, 5, 34, 8, 37, 10, 40, 41, 12, 43]
  

• C₆H₉
  Fragment probability: 0.38
  Fragment mass: 54.090199999999996
  Fragment main chain atoms: [11, 13]
  Fragment all atoms: [11, 42, 9, 38, 39, 7, 36, 13, 44, 16, 47, 48, 19, 53, 54]
  

• C₆H₉
  Fragment probability: 0.38
  Fragment mass: 54.090199999999996
  Fragment main chain atoms: [12, 14]
  Fragment all atoms: [12, 43, 10, 40, 41, 8, 37, 14, 45, 17, 49, 50, 20, 55, 56]
  

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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