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

Submission ID: 4Z0
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.94
• Compound probability: 0.67

List of identified carbohydrate fragments:

• C₄H₃O₄
  Fragment probability: 0.94
  Fragment mass: 115.0641
  Fragment main chain atoms: [4, 3, 6, 8]
  Fragment all atoms: [4, 19, 14, 3, 18, 6, 10, 8, 12, 11, 21]
  

• C₂H₁O₂
  Fragment probability: 0.93
  Fragment mass: 66.05799999999999
  Fragment main chain atoms: [4, 14, 9]
  Fragment all atoms: [4, 19, 14, 9, 13]
  

• C₅H₃O₅
  Fragment probability: 0.93
  Fragment mass: 139.08550000000002
  Fragment main chain atoms: [8, 6, 3, 4, 14, 9]
  Fragment all atoms: [8, 12, 11, 21, 6, 10, 3, 18, 4, 19, 14, 9, 13]
  

• C₃H₂O₂
  Fragment probability: 0.50
  Fragment mass: 94.0681
  Fragment main chain atoms: [9, 14, 4, 3]
  Fragment all atoms: [9, 13, 14, 4, 19, 3, 18]
  

• C₄H₂O₃
  Fragment probability: 0.50
  Fragment mass: 123.0861
  Fragment main chain atoms: [9, 14, 4, 3, 6]
  Fragment all atoms: [9, 13, 14, 4, 19, 3, 18, 6, 10]
  

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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