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

Submission ID: ENG
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.95
• Compound probability: 0.50

List of identified carbohydrate fragments:

• C₃H₃O₃
  Fragment probability: 0.95
  Fragment mass: 115.06410000000001
  Fragment main chain atoms: [10, 9, 4]
  Fragment all atoms: [10, 15, 16, 23, 9, 14, 22, 4, 20]
  

• C₄H₃O₄
  Fragment probability: 0.94
  Fragment mass: 111.07540000000002
  Fragment main chain atoms: [10, 9, 4, 8]
  Fragment all atoms: [10, 15, 16, 23, 9, 14, 22, 4, 20, 8, 13]
  

• C₄H₂O₂
  Fragment probability: 0.38
  Fragment mass: 66.05799999999999
  Fragment main chain atoms: [4, 8]
  Fragment all atoms: [4, 20, 9, 10, 14, 22, 8, 13]
  

• C₃H₂O₂
  Fragment probability: 0.50
  Fragment mass: 94.0681
  Fragment main chain atoms: [8, 4, 9]
  Fragment all atoms: [8, 13, 4, 20, 9, 14, 22]
  

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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