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

Submission ID: A4C
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.45
• Compound probability: 0.29

List of identified carbohydrate fragments:

• C₄H₇N₂O₁
  Fragment probability: 0.45
  Fragment mass: 125.1712
  Fragment main chain atoms: [1, 49, 27, 25, 45, 41]
  Fragment all atoms: [1, 53, 54, 55, 49, 27, 95, 96, 25, 91, 92, 45, 41, 51]
  

• C₄H₇N₂O₁
  Fragment probability: 0.45
  Fragment mass: 125.1712
  Fragment main chain atoms: [2, 49, 27, 25, 45, 41]
  Fragment all atoms: [2, 56, 57, 58, 49, 27, 95, 96, 25, 91, 92, 45, 41, 51]
  

• C₄H₇N₂O₁
  Fragment probability: 0.45
  Fragment mass: 125.1712
  Fragment main chain atoms: [4, 50, 28, 26, 46, 42]
  Fragment all atoms: [4, 62, 63, 64, 50, 28, 97, 98, 26, 93, 94, 46, 42, 52]
  

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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