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

Submission ID: OTK
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.61

List of identified carbohydrate fragments:

• C₁₀H₁₂O₅
  Fragment probability: 1.00
  Fragment mass: 138.12050000000002
  Fragment main chain atoms: [21, 35, 23, 25, 26]
  Fragment all atoms: [21, 72, 20, 71, 14, 16, 67, 68, 35, 23, 30, 25, 7, 55, 56, 57, 31, 73, 26, 18, 70, 12, 65, 66, 34, 32, 74]
  

• C₅H₇O₂
  Fragment probability: 0.55
  Fragment mass: 84.07320000000001
  Fragment main chain atoms: [22, 13, 3]
  Fragment all atoms: [22, 29, 33, 13, 9, 60, 2, 40, 41, 42, 3, 43, 44, 45]
  

• C₂O₂
  Fragment probability: 0.90
  Fragment mass: 84.07320000000001
  Fragment main chain atoms: [22, 13]
  Fragment all atoms: [22, 29, 33, 13]
  

• C₂H₄
  Fragment probability: 0.50
  Fragment mass: 40.0637
  Fragment main chain atoms: [2, 9]
  Fragment all atoms: [2, 40, 41, 42, 9, 60]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 84.07319999999999
  Fragment main chain atoms: [3, 13]
  Fragment all atoms: [3, 43, 44, 45, 13]
  

• C₃H₄
  Fragment probability: 0.33
  Fragment mass: 99.10759999999999
  Fragment main chain atoms: [9, 13]
  Fragment all atoms: [9, 60, 2, 40, 41, 42, 13]
  

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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