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

Submission ID: MH9
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.50
• Compound probability: 0.64

List of identified carbohydrate fragments:

• C₄H₄O₂
  Fragment probability: 0.50
  Fragment mass: 71.05460000000001
  Fragment main chain atoms: [12, 11]
  Fragment all atoms: [12, 13, 14, 34, 11, 33, 10, 32, 9, 31]
  

• C₄H₆
  Fragment probability: 0.38
  Fragment mass: 53.0823
  Fragment main chain atoms: [8, 9]
  Fragment all atoms: [8, 30, 7, 28, 29, 6, 26, 27, 9, 31]
  

• C₄H₅
  Fragment probability: 0.31
  Fragment mass: 52.0744
  Fragment main chain atoms: [9, 10]
  Fragment all atoms: [9, 31, 8, 30, 7, 28, 29, 10, 32]
  

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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