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

Submission ID: LMB
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.55
• Compound probability: 0.57

List of identified carbohydrate fragments:

• C₇H₁₀O₁
  Fragment probability: 0.43
  Fragment mass: 69.0817
  Fragment main chain atoms: [15, 29, 34]
  Fragment all atoms: [15, 74, 14, 73, 28, 29, 87, 24, 83, 5, 13, 53, 54, 55, 71, 72, 34, 89]
  

• C₅H₇O₂
  Fragment probability: 0.55
  Fragment mass: 70.0467
  Fragment main chain atoms: [31, 20]
  Fragment all atoms: [31, 38, 37, 91, 20, 81, 23, 4, 18, 50, 51, 52, 78, 79]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 53.0823
  Fragment main chain atoms: [2, 21]
  Fragment all atoms: [2, 44, 45, 46, 21]
  

• C₄H₅
  Fragment probability: 0.31
  Fragment mass: 52.0744
  Fragment main chain atoms: [10, 11]
  Fragment all atoms: [10, 67, 12, 69, 70, 22, 82, 11, 68]
  

• C₄H₅O₁
  Fragment probability: 0.44
  Fragment mass: 68.0738
  Fragment main chain atoms: [14, 15]
  Fragment all atoms: [14, 73, 15, 74, 29, 87, 24, 83, 34, 89]
  

• C₅H₇
  Fragment probability: 0.35
  Fragment mass: 65.093
  Fragment main chain atoms: [19, 28]
  Fragment all atoms: [19, 80, 22, 82, 12, 3, 69, 70, 47, 48, 49, 28]
  

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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