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

Submission ID: MRC
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.62
• Compound probability: 0.29

List of identified carbohydrate fragments:

• C₄H₆O₂
  Fragment probability: 0.62
  Fragment mass: 69.08170000000001
  Fragment main chain atoms: [11, 33, 23]
  Fragment all atoms: [11, 59, 60, 9, 55, 56, 7, 51, 52, 33, 23, 30]
  

• C₈H₁₂O₂
  Fragment probability: 0.50
  Fragment mass: 97.0918
  Fragment main chain atoms: [11, 33, 23, 13]
  Fragment all atoms: [11, 59, 60, 9, 55, 56, 7, 51, 52, 33, 23, 30, 13, 63, 16, 1, 12, 36, 37, 38, 61, 62]
  

• C₅H₆O₂
  Fragment probability: 0.50
  Fragment mass: 69.03880000000001
  Fragment main chain atoms: [23, 13]
  Fragment all atoms: [23, 30, 33, 13, 63, 16, 1, 12, 36, 37, 38, 61, 62]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 54.090199999999996
  Fragment main chain atoms: [1, 16]
  Fragment all atoms: [1, 36, 37, 38, 16]
  

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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