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

Submission ID: ETG
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.67
• Compound probability: 0.26

List of identified carbohydrate fragments:

• C₆H₁₂N₂O₂
  Fragment probability: 0.57
  Fragment mass: 146.18699999999998
  Fragment main chain atoms: [11, 36, 13, 14, 37, 12]
  Fragment all atoms: [11, 55, 56, 9, 51, 52, 30, 36, 13, 59, 60, 14, 61, 62, 37, 12, 57, 58, 10, 53, 54, 31]
  

• C₄H₈N₁O₂
  Fragment probability: 0.67
  Fragment mass: 103.11939999999998
  Fragment main chain atoms: [11, 36, 13]
  Fragment all atoms: [11, 55, 56, 9, 51, 52, 30, 36, 13, 59, 60, 14, 61, 62, 37]
  

• C₄H₈N₁O₂
  Fragment probability: 0.67
  Fragment mass: 103.11939999999998
  Fragment main chain atoms: [12, 37, 14, 13]
  Fragment all atoms: [12, 57, 58, 10, 53, 54, 31, 37, 14, 61, 62, 13, 59, 60, 36]
  

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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