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

Submission ID: ZDM
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.72

List of identified carbohydrate fragments:

• C₆H₁₁O₆
  Fragment probability: 1.00
  Fragment mass: 179.14750000000006
  Fragment main chain atoms: [17, 15, 14, 12, 30, 21, 27, 61, 71, 25, 59, 69, 24, 58, 68]
  Fragment all atoms: [17, 15, 14, 12, 56, 10, 52, 53, 22, 66, 30, 21, 65, 32, 27, 61, 71, 25, 59, 69, 24, 58, 68]
  

• C₆H₁₀O₆
  Fragment probability: 1.00
  Fragment mass: 178.13960000000006
  Fragment main chain atoms: [18, 16, 19, 13, 31, 20, 62, 28, 72, 26, 60, 70]
  Fragment all atoms: [18, 16, 19, 63, 32, 13, 57, 11, 54, 55, 23, 67, 31, 20, 64, 29, 62, 28, 72, 26, 60, 70]
  

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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