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

Submission ID: SOO
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.62
• Compound probability: 0.52

List of identified carbohydrate fragments:

• C₆H₁₀N₁O₃
  Fragment probability: 0.62
  Fragment mass: 130.1414
  Fragment main chain atoms: [14, 19, 17, 18]
  Fragment all atoms: [14, 59, 60, 29, 19, 2, 3, 35, 36, 37, 38, 39, 40, 17, 61, 24, 64, 18, 25, 21]
  

• C₄H₆
  Fragment probability: 0.38
  Fragment mass: 68.07379999999999
  Fragment main chain atoms: [8, 9]
  Fragment all atoms: [8, 49, 7, 47, 48, 6, 45, 46, 9, 50]
  

• C₅H₆O₁
  Fragment probability: 0.40
  Fragment mass: 68.07379999999999
  Fragment main chain atoms: [8, 9, 16]
  Fragment all atoms: [8, 49, 7, 47, 48, 6, 45, 46, 9, 50, 16, 23]
  

• C₄H₄O₁
  Fragment probability: 0.38
  Fragment mass: 54.0473
  Fragment main chain atoms: [9, 16]
  Fragment all atoms: [9, 50, 8, 49, 7, 47, 48, 16, 23]
  

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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