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

Submission ID: 0PK
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.64
• Compound probability: 0.67

List of identified carbohydrate fragments:

• C₁₅H₁₆N₃O₅
  Fragment probability: 0.39
  Fragment mass: 334.2417
  Fragment main chain atoms: [16, 35, 25, 27, 22, 36, 28, 21, 23, 26, 18, 24]
  Fragment all atoms: [16, 60, 61, 20, 12, 13, 54, 55, 35, 25, 32, 27, 22, 65, 15, 58, 59, 19, 36, 28, 21, 64, 14, 56, 57, 17, 62, 23, 29, 26, 18, 63, 3, 43, 44, 45, 24, 30, 31, 69]
  

• C₃H₅N₁O₂
  Fragment probability: 0.64
  Fragment mass: 88.08500000000001
  Fragment main chain atoms: [24, 18, 3]
  Fragment all atoms: [24, 30, 31, 69, 18, 63, 26, 3, 43, 44, 45]
  

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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