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

Submission ID: VPA
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.70

List of identified carbohydrate fragments:

• C₅H₉O₅
  Fragment probability: 1.00
  Fragment mass: 149.12160000000003
  Fragment main chain atoms: [17, 13, 10, 7, 28, 19, 48, 27, 58, 23, 44, 54, 22, 42, 53]
  Fragment all atoms: [17, 13, 10, 7, 38, 39, 28, 19, 50, 29, 48, 27, 58, 23, 44, 54, 22, 42, 53]
  

• C₆H₁₀N₁O₅
  Fragment probability: 1.00
  Fragment mass: 177.15480000000005
  Fragment main chain atoms: [16, 15, 14, 11, 30, 18, 47, 26, 57, 46, 25, 56, 45, 24, 55]
  Fragment all atoms: [16, 15, 14, 11, 43, 8, 40, 41, 29, 30, 18, 49, 21, 47, 26, 57, 46, 25, 56, 45, 24, 55]
  

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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