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

Submission ID: S1P
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.56
• Compound probability: 0.40

List of identified carbohydrate fragments:

• C₆H₉N₁O₁
  Fragment probability: 0.42
  Fragment mass: 85.10419999999999
  Fragment main chain atoms: [15, 18, 20]
  Fragment all atoms: [15, 54, 14, 53, 13, 51, 52, 18, 58, 17, 57, 16, 55, 56, 19, 20, 61]
  

• C₇H₁₁N₁O₂
  Fragment probability: 0.50
  Fragment mass: 129.15660000000003
  Fragment main chain atoms: [16, 17, 18, 15, 14]
  Fragment all atoms: [16, 55, 56, 24, 17, 57, 19, 18, 58, 20, 61, 15, 54, 14, 53, 13, 51, 52, 12, 49, 50]
  

• C₄H₆N₁O₂
  Fragment probability: 0.56
  Fragment mass: 115.13010000000001
  Fragment main chain atoms: [16, 17, 18, 15]
  Fragment all atoms: [16, 55, 56, 24, 17, 57, 19, 18, 58, 20, 61, 15, 54]
  

• C₆H₉O₁
  Fragment probability: 0.46
  Fragment mass: 70.0896
  Fragment main chain atoms: [14, 15]
  Fragment all atoms: [14, 53, 13, 51, 52, 12, 49, 50, 15, 54, 18, 58, 17, 57, 20, 61]
  

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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