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

Submission ID: DTK
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.95

List of identified carbohydrate fragments:

• C₈H₁₄O₄
  Fragment probability: 1.00
  Fragment mass: 161.17520000000005
  Fragment main chain atoms: [11, 14, 13, 8, 21, 6, 16, 40, 45, 19, 43, 48, 18, 42, 47]
  Fragment all atoms: [11, 14, 13, 8, 37, 3, 29, 30, 7, 36, 21, 6, 35, 1, 23, 24, 25, 16, 40, 45, 19, 43, 48, 18, 42, 47]
  

• C₈H₁₃O₄
  Fragment probability: 1.00
  Fragment mass: 160.16730000000004
  Fragment main chain atoms: [4, 10, 22, 9, 12, 7, 17, 41, 46]
  Fragment all atoms: [4, 31, 32, 10, 39, 20, 22, 9, 38, 5, 33, 34, 15, 44, 12, 7, 36, 3, 29, 30, 8, 37, 17, 41, 46]
  

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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