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

Submission ID: PH5
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.76

List of identified carbohydrate fragments:

• C₁₁H₁₆N₁O₇
  Fragment probability: 1.00
  Fragment mass: 245.22860000000003
  Fragment main chain atoms: [12, 8, 19, 29, 17, 15, 14, 51, 2, 24, 20, 22, 46, 53]
  Fragment all atoms: [12, 8, 40, 41, 19, 18, 26, 27, 56, 28, 29, 17, 50, 16, 49, 13, 47, 25, 55, 15, 48, 14, 51, 2, 33, 34, 1, 30, 31, 32, 24, 20, 22, 46, 53]
  

• C₂H₅O₂
  Fragment probability: 0.97
  Fragment mass: 74.0783
  Fragment main chain atoms: [9, 13]
  Fragment all atoms: [9, 42, 43, 21, 52, 13, 47, 23, 54]
  

• C₃H₇O₃
  Fragment probability: 0.98
  Fragment mass: 103.09630000000001
  Fragment main chain atoms: [9, 13, 16]
  Fragment all atoms: [9, 42, 43, 21, 52, 13, 47, 23, 54, 16, 49, 25, 55]
  

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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