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

Submission ID: VLT
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.50
• Compound probability: 0.53

List of identified carbohydrate fragments:

• C₅H₆N₁O₂
  Fragment probability: 0.45
  Fragment mass: 100.09570000000001
  Fragment main chain atoms: [11, 6, 3]
  Fragment all atoms: [11, 14, 15, 28, 6, 21, 3, 18, 9, 24, 7, 22, 23, 12]
  

• C₄H₄O₂
  Fragment probability: 0.50
  Fragment mass: 71.05460000000001
  Fragment main chain atoms: [11, 6]
  Fragment all atoms: [11, 14, 15, 28, 6, 21, 3, 18, 9, 24]
  

• C₄H₅N₁
  Fragment probability: 0.28
  Fragment mass: 100.0957
  Fragment main chain atoms: [3, 6]
  Fragment all atoms: [3, 18, 9, 24, 7, 22, 23, 12, 6, 21]
  

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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