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

Submission ID: KME
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.95

List of identified carbohydrate fragments:

• C₈H₁₁O₇
  Fragment probability: 1.00
  Fragment mass: 189.14240000000004
  Fragment main chain atoms: [5, 7, 9, 10, 20, 12, 33, 14, 38, 35, 15, 39]
  Fragment all atoms: [5, 29, 30, 7, 9, 10, 36, 8, 34, 6, 31, 32, 18, 20, 12, 11, 16, 17, 40, 19, 33, 14, 38, 35, 15, 39]
  

• C₃H₅O₁
  Fragment probability: 0.58
  Fragment mass: 57.071
  Fragment main chain atoms: [4, 3, 1]
  Fragment all atoms: [4, 28, 19, 3, 27, 1, 21, 22, 23]
  

• C₂H₄O₂
  Fragment probability: 1.00
  Fragment mass: 73.07039999999999
  Fragment main chain atoms: [6, 8]
  Fragment all atoms: [6, 31, 32, 13, 37, 8, 34, 18]
  

• C₂H₄
  Fragment probability: 0.50
  Fragment mass: 57.071
  Fragment main chain atoms: [1, 3]
  Fragment all atoms: [1, 21, 22, 23, 3, 27]
  

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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