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

Submission ID: CGA
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.75
• Compound probability: 1.00

List of identified carbohydrate fragments:

• C₅H₇O₄
  Fragment probability: 0.75
  Fragment mass: 101.0805
  Fragment main chain atoms: [3, 14, 6]
  Fragment all atoms: [3, 19, 20, 5, 10, 9, 24, 14, 6, 2, 17, 18, 1, 15, 16, 11]
  

• C₇H₉N₁O₆
  Fragment probability: 0.70
  Fragment mass: 205.16490000000005
  Fragment main chain atoms: [3, 14, 6, 2, 1, 4, 7]
  Fragment all atoms: [3, 19, 20, 5, 10, 9, 24, 14, 6, 11, 2, 17, 18, 1, 15, 16, 4, 21, 8, 7, 13, 12, 25]
  

• C₅H₆N₁O₄
  Fragment probability: 0.64
  Fragment mass: 146.121
  Fragment main chain atoms: [6, 2, 1, 4, 7]
  Fragment all atoms: [6, 11, 14, 2, 17, 18, 1, 15, 16, 4, 21, 8, 7, 13, 12, 25]
  

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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