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

Submission ID: HTI
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.67
• Compound probability: 1.00

List of identified carbohydrate fragments:

• C₄H₆N₁O₃
  Fragment probability: 0.67
  Fragment mass: 118.11089999999999
  Fragment main chain atoms: [5, 1, 3, 6]
  Fragment all atoms: [5, 22, 10, 27, 1, 16, 17, 3, 20, 8, 6, 11, 12, 28]
  

• C₆H₉N₁O₃
  Fragment probability: 0.58
  Fragment mass: 147.19510000000002
  Fragment main chain atoms: [5, 15, 2, 4, 7]
  Fragment all atoms: [5, 22, 1, 16, 17, 3, 20, 10, 27, 15, 2, 18, 19, 4, 21, 9, 7, 13, 14, 29]
  

• C₇H₁₀N₂O₅
  Fragment probability: 0.62
  Fragment mass: 238.26090000000005
  Fragment main chain atoms: [6, 3, 1, 5, 15, 2, 4, 7]
  Fragment all atoms: [6, 11, 12, 28, 3, 20, 8, 1, 16, 17, 5, 22, 10, 27, 15, 2, 18, 19, 4, 21, 9, 7, 13, 14, 29]
  

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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