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

Submission ID: AKM
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.58

List of identified carbohydrate fragments:

• C₇H₁₂N₁O₄
  Fragment probability: 1.00
  Fragment mass: 160.16730000000004
  Fragment main chain atoms: [5, 16, 17, 9, 31, 13]
  Fragment all atoms: [5, 48, 49, 16, 3, 43, 44, 45, 18, 17, 25, 24, 63, 62, 9, 53, 2, 40, 41, 42, 31, 13, 57, 33]
  

• C₅H₈N₁O₃
  Fragment probability: 1.00
  Fragment mass: 130.1216
  Fragment main chain atoms: [4, 10, 11, 32, 12]
  Fragment all atoms: [4, 46, 47, 10, 54, 21, 61, 11, 55, 7, 51, 52, 30, 32, 12, 56, 20]
  

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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