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

Submission ID: DSQ
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 1.00

List of identified carbohydrate fragments:

• C₈H₁₄O₄
  Fragment probability: 1.00
  Fragment mass: 161.17520000000005
  Fragment main chain atoms: [10, 13, 12, 7, 20, 5, 16, 36, 42, 19, 39, 45, 18, 38, 44]
  Fragment all atoms: [10, 13, 12, 7, 33, 2, 25, 26, 6, 32, 20, 5, 31, 1, 22, 23, 24, 16, 36, 42, 19, 39, 45, 18, 38, 44]
  

• C₈H₁₄O₄
  Fragment probability: 1.00
  Fragment mass: 161.17520000000005
  Fragment main chain atoms: [3, 9, 21, 8, 11, 6, 35, 15, 41, 17, 37, 43]
  Fragment all atoms: [3, 27, 28, 9, 21, 8, 34, 4, 29, 30, 14, 40, 11, 6, 32, 2, 25, 26, 7, 33, 35, 15, 41, 17, 37, 43]
  

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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