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

Submission ID: AD7
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:

• C₆H₉N₁O₅
  Fragment probability: 1.00
  Fragment mass: 177.15480000000002
  Fragment main chain atoms: [19, 16, 18, 14, 28, 20, 25, 60, 68]
  Fragment all atoms: [19, 61, 29, 16, 58, 21, 18, 14, 56, 11, 52, 53, 22, 65, 28, 20, 62, 26, 25, 60, 68]
  

• C₆H₁₁O₄
  Fragment probability: 1.00
  Fragment mass: 147.14870000000002
  Fragment main chain atoms: [10, 13, 17, 12, 27, 15, 23, 55, 66, 24, 59, 67]
  Fragment all atoms: [10, 50, 51, 13, 17, 12, 54, 2, 33, 34, 35, 27, 15, 57, 29, 23, 55, 66, 24, 59, 67]
  

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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