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

Submission ID: NKM
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.60

List of identified carbohydrate fragments:

• C₆H₆N₁O₄
  Fragment probability: 1.00
  Fragment mass: 144.10520000000002
  Fragment main chain atoms: [14, 21, 39, 16, 15]
  Fragment all atoms: [14, 58, 32, 71, 21, 62, 28, 39, 16, 60, 17, 61, 18, 40, 15, 59, 37]
  

• C₆H₆N₁O₅
  Fragment probability: 1.00
  Fragment mass: 158.10860000000002
  Fragment main chain atoms: [13, 10, 8, 11, 38, 22, 31, 57, 70, 29, 56, 69]
  Fragment all atoms: [13, 10, 8, 54, 11, 20, 35, 26, 38, 22, 63, 40, 31, 57, 70, 29, 56, 69]
  

• C₂H₁N₁O₂
  Fragment probability: 0.74
  Fragment mass: 70.0467
  Fragment main chain atoms: [17, 18]
  Fragment all atoms: [17, 61, 40, 18, 33, 24]
  

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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