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

Submission ID: 59A
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.65
• Compound probability: 1.00

List of identified carbohydrate fragments:

• C₅H₇O₃
  Fragment probability: 0.65
  Fragment mass: 86.089
  Fragment main chain atoms: [5, 18, 12]
  Fragment all atoms: [5, 31, 32, 2, 23, 24, 25, 18, 12, 9, 36, 8, 35, 19, 17]
  

• C₆H₁₁N₁O₂
  Fragment probability: 0.58
  Fragment mass: 115.13010000000001
  Fragment main chain atoms: [11, 7, 6, 3]
  Fragment all atoms: [11, 15, 16, 38, 7, 34, 13, 6, 33, 4, 29, 30, 1, 20, 21, 22, 3, 26, 27, 28]
  

• C₆H₈N₁O₃
  Fragment probability: 0.54
  Fragment mass: 127.09790000000001
  Fragment main chain atoms: [11, 7, 13, 10]
  Fragment all atoms: [11, 15, 16, 38, 7, 34, 6, 33, 3, 4, 26, 27, 28, 29, 30, 13, 10, 14]
  

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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