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

Submission ID: PFV
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.81
• Compound probability: 0.40

List of identified carbohydrate fragments:

• C₆H₅N₂O₂
  Fragment probability: 0.32
  Fragment mass: 151.1226
  Fragment main chain atoms: [7, 11, 24, 16, 15]
  Fragment all atoms: [7, 55, 29, 11, 58, 10, 57, 5, 52, 53, 27, 24, 16, 32, 15]
  

• C₅H₅N₂O₂
  Fragment probability: 0.38
  Fragment mass: 123.1125
  Fragment main chain atoms: [7, 11, 24, 16]
  Fragment all atoms: [7, 55, 29, 11, 58, 10, 57, 5, 52, 53, 27, 24, 16, 32]
  

• C₄H₇O₃
  Fragment probability: 0.81
  Fragment mass: 87.09690000000002
  Fragment main chain atoms: [17, 20, 1]
  Fragment all atoms: [17, 34, 33, 66, 20, 2, 46, 47, 48, 40, 1, 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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