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

Submission ID: UBZ
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.61
• Compound probability: 0.77

List of identified carbohydrate fragments:

• C₁₄H₁₇N₃O₅
  Fragment probability: 0.44
  Fragment mass: 320.2152
  Fragment main chain atoms: [11, 29, 19, 20, 12, 30, 22, 16, 17, 21, 15, 18]
  Fragment all atoms: [11, 49, 50, 14, 8, 9, 45, 46, 29, 19, 26, 20, 12, 51, 52, 30, 22, 16, 55, 10, 47, 48, 13, 53, 17, 23, 21, 15, 54, 4, 40, 41, 1, 31, 32, 33, 18, 24, 25, 59]
  

• C₄H₇N₁O₂
  Fragment probability: 0.61
  Fragment mass: 102.1115
  Fragment main chain atoms: [18, 15, 4, 1]
  Fragment all atoms: [18, 24, 25, 59, 15, 54, 21, 4, 40, 41, 1, 31, 32, 33]
  

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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