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

Submission ID: LX1
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.69

List of identified carbohydrate fragments:

• C₅H₁₁O₄
  Fragment probability: 0.85
  Fragment mass: 135.138
  Fragment main chain atoms: [2, 4, 5, 3, 1]
  Fragment all atoms: [2, 17, 18, 12, 4, 20, 7, 23, 5, 21, 8, 24, 3, 19, 6, 22, 1, 14, 15, 16]
  

• C₃H₆O₃
  Fragment probability: 1.00
  Fragment mass: 103.09630000000001
  Fragment main chain atoms: [2, 4, 5]
  Fragment all atoms: [2, 17, 18, 12, 4, 20, 7, 23, 5, 21, 8, 24]
  

• C₂H₅O₁
  Fragment probability: 0.62
  Fragment mass: 58.0789
  Fragment main chain atoms: [1, 3]
  Fragment all atoms: [1, 14, 15, 16, 3, 19, 6, 22]
  

• C₅H₁₁O₃
  Fragment probability: 0.75
  Fragment mass: 88.1048
  Fragment main chain atoms: [1, 3, 5]
  Fragment all atoms: [1, 14, 15, 16, 3, 19, 6, 22, 5, 21, 4, 20, 2, 17, 18, 7, 23, 8, 24]
  

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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