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

Submission ID: H7J
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.50
• Compound probability: 0.59

List of identified carbohydrate fragments:

• C₂H₄
  Fragment probability: 0.50
  Fragment mass: 41.0716
  Fragment main chain atoms: [1, 6]
  Fragment all atoms: [1, 28, 29, 30, 6, 43]
  

• C₄H₇
  Fragment probability: 0.44
  Fragment mass: 96.1499
  Fragment main chain atoms: [2, 15, 21]
  Fragment all atoms: [2, 31, 32, 33, 15, 53, 3, 34, 35, 36, 21]
  

• C₈H₁₁N₂O₁
  Fragment probability: 0.36
  Fragment mass: 105.1171
  Fragment main chain atoms: [5, 21, 22, 20]
  Fragment all atoms: [5, 40, 41, 42, 21, 15, 19, 53, 2, 3, 31, 32, 33, 34, 35, 36, 14, 52, 23, 22, 20, 27]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 66.08109999999999
  Fragment main chain atoms: [5, 21]
  Fragment all atoms: [5, 40, 41, 42, 21]
  

• C₅H₈
  Fragment probability: 0.40
  Fragment mass: 55.098099999999995
  Fragment main chain atoms: [6, 7]
  Fragment all atoms: [6, 43, 1, 28, 29, 30, 7, 44, 13, 50, 51, 18, 54]
  

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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