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

Submission ID: 18D
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:

• C₁₁H₁₇N₁O₇
  Fragment probability: 1.00
  Fragment mass: 245.22860000000003
  Fragment main chain atoms: [5, 3, 12, 22, 10, 8, 7, 37, 2, 17, 13, 15, 32, 39]
  Fragment all atoms: [5, 3, 28, 29, 12, 11, 19, 20, 42, 21, 43, 22, 10, 36, 9, 35, 6, 33, 18, 41, 8, 34, 7, 37, 2, 26, 27, 1, 23, 24, 25, 17, 13, 15, 32, 39]
  

• C₂H₅O₂
  Fragment probability: 0.97
  Fragment mass: 74.0783
  Fragment main chain atoms: [4, 6]
  Fragment all atoms: [4, 30, 31, 14, 38, 6, 33, 16, 40]
  

• C₃H₇O₃
  Fragment probability: 0.98
  Fragment mass: 103.09630000000001
  Fragment main chain atoms: [4, 6, 9]
  Fragment all atoms: [4, 30, 31, 14, 38, 6, 33, 16, 40, 9, 35, 18, 41]
  

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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