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

Submission ID: KZH
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.42
• Compound probability: 0.57

List of identified carbohydrate fragments:

• C₆H₉
  Fragment probability: 0.38
  Fragment mass: 54.090199999999996
  Fragment main chain atoms: [3, 11]
  Fragment all atoms: [3, 27, 2, 25, 26, 1, 22, 23, 24, 11, 40, 14, 44, 45, 17]
  

• C₄H₆
  Fragment probability: 0.38
  Fragment mass: 53.0823
  Fragment main chain atoms: [7, 9]
  Fragment all atoms: [7, 34, 5, 30, 31, 4, 28, 29, 9, 37]
  

• C₄H₅
  Fragment probability: 0.31
  Fragment mass: 52.0744
  Fragment main chain atoms: [9, 12]
  Fragment all atoms: [9, 37, 7, 34, 5, 30, 31, 12, 41]
  

• C₃H₃O₁
  Fragment probability: 0.42
  Fragment mass: 65.093
  Fragment main chain atoms: [11, 14, 17]
  Fragment all atoms: [11, 40, 14, 44, 45, 17, 19]
  

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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