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

Submission ID: BDC
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.45
• Compound probability: 0.28

List of identified carbohydrate fragments:

• C₄H₇N₂O₁
  Fragment probability: 0.45
  Fragment mass: 125.1712
  Fragment main chain atoms: [1, 51, 29, 27, 47, 43]
  Fragment all atoms: [1, 55, 56, 57, 51, 29, 101, 102, 27, 97, 98, 47, 43, 53]
  

• C₄H₇N₂O₁
  Fragment probability: 0.45
  Fragment mass: 125.1712
  Fragment main chain atoms: [2, 51, 29, 27, 47, 43]
  Fragment all atoms: [2, 58, 59, 60, 51, 29, 101, 102, 27, 97, 98, 47, 43, 53]
  

• C₄H₇N₂O₁
  Fragment probability: 0.45
  Fragment mass: 125.1712
  Fragment main chain atoms: [4, 52, 30, 28, 48, 44]
  Fragment all atoms: [4, 64, 65, 66, 52, 30, 103, 104, 28, 99, 100, 48, 44, 54]
  

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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