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

Submission ID: QDM
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.54

List of identified carbohydrate fragments:

• C₅H₈N₁O₃
  Fragment probability: 1.00
  Fragment mass: 130.1216
  Fragment main chain atoms: [5, 10, 11, 33, 12]
  Fragment all atoms: [5, 50, 51, 10, 56, 22, 64, 11, 57, 7, 53, 54, 31, 33, 12, 58, 21]
  

• C₆H₁₀N₁O₄
  Fragment probability: 1.00
  Fragment mass: 160.14750000000004
  Fragment main chain atoms: [15, 13, 14, 9, 32, 17, 24, 61, 66, 60, 23, 65]
  Fragment all atoms: [15, 13, 59, 20, 14, 9, 55, 2, 41, 42, 43, 32, 17, 62, 34, 24, 61, 66, 60, 23, 65]
  

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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