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

Submission ID: VOG
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:

• C₇H₁₃N₁O₅
  Fragment probability: 1.00
  Fragment mass: 175.18190000000004
  Fragment main chain atoms: [6, 7, 8, 9, 10, 1]
  Fragment all atoms: [6, 28, 11, 7, 29, 15, 36, 8, 30, 16, 37, 9, 31, 17, 38, 10, 4, 25, 26, 14, 35, 18, 39, 1, 19, 20]
  

• C₃H₇N₁O₂
  Fragment probability: 0.64
  Fragment mass: 90.10079999999999
  Fragment main chain atoms: [2, 5, 3]
  Fragment all atoms: [2, 21, 22, 12, 33, 5, 27, 11, 3, 23, 24, 13, 34]
  

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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