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

Submission ID: MUS
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.64

List of identified carbohydrate fragments:

• C₁₀H₁₄N₁O₇
  Fragment probability: 1.00
  Fragment mass: 231.20210000000003
  Fragment main chain atoms: [7, 13, 17, 19, 33, 21, 10, 53, 2, 24, 22, 25, 48, 55]
  Fragment all atoms: [7, 44, 45, 13, 17, 50, 19, 52, 18, 51, 14, 49, 28, 57, 33, 21, 20, 29, 30, 58, 32, 10, 53, 2, 37, 38, 39, 24, 22, 25, 48, 55]
  

• C₂H₅O₂
  Fragment probability: 0.97
  Fragment mass: 74.0783
  Fragment main chain atoms: [8, 14]
  Fragment all atoms: [8, 46, 47, 23, 54, 14, 49, 26, 56]
  

• C₃H₇O₃
  Fragment probability: 0.98
  Fragment mass: 103.09630000000001
  Fragment main chain atoms: [8, 14, 18]
  Fragment all atoms: [8, 46, 47, 23, 54, 14, 49, 26, 56, 18, 51, 28, 57]
  

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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