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

Submission ID: DMM
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.39

List of identified carbohydrate fragments:

• C₆H₁₀N₁O₃
  Fragment probability: 1.00
  Fragment mass: 144.14810000000003
  Fragment main chain atoms: [45, 21, 9, 17, 27, 14, 36, 78, 80]
  Fragment all atoms: [45, 21, 76, 46, 9, 63, 64, 17, 74, 33, 27, 14, 73, 1, 47, 48, 49, 36, 78, 80]
  

• C₅H₈O₃
  Fragment probability: 0.70
  Fragment mass: 72.0625
  Fragment main chain atoms: [13, 20]
  Fragment all atoms: [13, 71, 72, 34, 79, 20, 32, 11, 10, 67, 68, 65, 66, 41, 83, 35]
  

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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