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

Submission ID: CNP
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 1.00

List of identified carbohydrate fragments:

• C₁₂H₁₇N₁O₆
  Fragment probability: 1.00
  Fragment mass: 212.2219
  Fragment main chain atoms: [5, 8, 10, 12, 23, 14, 7, 41, 2, 17, 15, 18, 36, 43]
  Fragment all atoms: [5, 32, 33, 8, 10, 38, 12, 40, 11, 39, 9, 37, 20, 45, 23, 14, 13, 4, 21, 22, 46, 30, 31, 3, 29, 7, 41, 2, 26, 27, 28, 17, 15, 18, 36, 43]
  

• C₂H₅O₂
  Fragment probability: 0.97
  Fragment mass: 74.0783
  Fragment main chain atoms: [6, 9]
  Fragment all atoms: [6, 34, 35, 16, 42, 9, 37, 19, 44]
  

• C₃H₇O₃
  Fragment probability: 0.98
  Fragment mass: 103.09630000000001
  Fragment main chain atoms: [6, 9, 11]
  Fragment all atoms: [6, 34, 35, 16, 42, 9, 37, 19, 44, 11, 39, 20, 45]
  

• C₄H₅
  Fragment probability: 0.31
  Fragment mass: 41.0716
  Fragment main chain atoms: [1, 3]
  Fragment all atoms: [1, 24, 25, 3, 29, 4, 30, 31, 14]
  

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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