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

Submission ID: 9HV
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.79

List of identified carbohydrate fragments:

• C₆H₁₁O₆
  Fragment probability: 1.00
  Fragment mass: 179.14750000000006
  Fragment main chain atoms: [12, 11, 10, 8, 26, 14, 22, 45, 54, 44, 21, 53, 43, 20, 52]
  Fragment all atoms: [12, 11, 10, 8, 41, 5, 37, 38, 18, 50, 26, 14, 47, 27, 22, 45, 54, 44, 21, 53, 43, 20, 52]
  

• C₆H₁₁N₁O₄
  Fragment probability: 1.00
  Fragment mass: 189.18860000000004
  Fragment main chain atoms: [6, 9, 13, 7, 15]
  Fragment all atoms: [6, 39, 3, 33, 34, 16, 48, 9, 42, 19, 51, 13, 46, 27, 7, 40, 4, 35, 36, 17, 49, 15]
  

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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