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

Submission ID: LI5
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.75
• Compound probability: 0.79

List of identified carbohydrate fragments:

• C₇H₁₁O₄
  Fragment probability: 0.68
  Fragment mass: 159.15939999999998
  Fragment main chain atoms: [4, 5, 3, 7, 6, 2, 1]
  Fragment all atoms: [4, 22, 23, 13, 5, 24, 8, 25, 3, 20, 21, 7, 10, 6, 9, 2, 18, 19, 1, 15, 16, 17]
  

• C₄H₆O₃
  Fragment probability: 0.75
  Fragment mass: 114.09909999999999
  Fragment main chain atoms: [4, 5, 3, 7]
  Fragment all atoms: [4, 22, 23, 13, 5, 24, 8, 25, 3, 20, 21, 7, 10]
  

• C₃H₅O₁
  Fragment probability: 0.58
  Fragment mass: 69.0817
  Fragment main chain atoms: [1, 2, 6]
  Fragment all atoms: [1, 15, 16, 17, 2, 18, 19, 6, 9]
  

• C₆H₈O₂
  Fragment probability: 0.50
  Fragment mass: 83.1082
  Fragment main chain atoms: [1, 2, 6, 7]
  Fragment all atoms: [1, 15, 16, 17, 2, 18, 19, 6, 9, 7, 3, 20, 21, 5, 24, 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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