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

Submission ID: 6HS
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.97

List of identified carbohydrate fragments:

• C₆H₁₀N₁O₄
  Fragment probability: 1.00
  Fragment mass: 144.14810000000003
  Fragment main chain atoms: [7, 28, 18, 13, 16, 19, 26, 51, 66]
  Fragment all atoms: [7, 45, 46, 28, 18, 56, 31, 13, 16, 54, 23, 19, 1, 32, 33, 34, 27, 67, 26, 51, 66]
  

• C₆H₈N₂O₃
  Fragment probability: 1.00
  Fragment mass: 160.1706
  Fragment main chain atoms: [12, 14, 10, 5, 11, 15]
  Fragment all atoms: [12, 50, 25, 65, 14, 52, 30, 10, 48, 21, 5, 41, 42, 11, 49, 22, 15, 53, 31]
  

• C₆H₈N₁O₃
  Fragment probability: 1.00
  Fragment mass: 144.1481
  Fragment main chain atoms: [9, 4, 3, 8, 29, 17]
  Fragment all atoms: [9, 47, 20, 4, 39, 40, 3, 38, 8, 6, 43, 44, 24, 64, 29, 17, 55, 30]
  

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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