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

Submission ID: 9GE
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.56
• Compound probability: 0.41

List of identified carbohydrate fragments:

• C₅H₇O₂
  Fragment probability: 0.55
  Fragment mass: 85.0811
  Fragment main chain atoms: [15, 13, 11]
  Fragment all atoms: [15, 16, 17, 45, 13, 43, 11, 40, 9, 36, 37, 7, 32, 33]
  

• C₄H₅O₂
  Fragment probability: 0.56
  Fragment mass: 71.05460000000001
  Fragment main chain atoms: [15, 13]
  Fragment all atoms: [15, 16, 17, 45, 13, 43, 11, 40, 9, 36, 37]
  

• C₄H₆
  Fragment probability: 0.38
  Fragment mass: 85.08109999999999
  Fragment main chain atoms: [11, 13]
  Fragment all atoms: [11, 40, 9, 36, 37, 7, 32, 33, 13, 43]
  

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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