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

Submission ID: P6T
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.60

List of identified carbohydrate fragments:

• C₆H₁₀O₆
  Fragment probability: 0.98
  Fragment mass: 178.13960000000006
  Fragment main chain atoms: [1, 3, 5, 6, 4, 2]
  Fragment all atoms: [1, 21, 22, 17, 3, 25, 7, 28, 5, 26, 9, 29, 6, 27, 10, 30, 4, 8, 2, 23, 24, 18]
  

• C₃H₆O₃
  Fragment probability: 1.00
  Fragment mass: 103.09630000000001
  Fragment main chain atoms: [1, 3, 5]
  Fragment all atoms: [1, 21, 22, 17, 3, 25, 7, 28, 5, 26, 9, 29]
  

• C₆H₁₀O₅
  Fragment probability: 0.83
  Fragment mass: 131.1064
  Fragment main chain atoms: [1, 3, 5, 6]
  Fragment all atoms: [1, 21, 22, 17, 3, 25, 7, 28, 5, 26, 9, 29, 6, 27, 4, 2, 23, 24, 8, 10, 30]
  

• C₂H₂O₂
  Fragment probability: 0.95
  Fragment mass: 72.0625
  Fragment main chain atoms: [2, 4]
  Fragment all atoms: [2, 23, 24, 18, 4, 8]
  

• C₆H₁₀O₅
  Fragment probability: 0.83
  Fragment mass: 131.10640000000004
  Fragment main chain atoms: [2, 4, 6, 5]
  Fragment all atoms: [2, 23, 24, 18, 4, 8, 6, 27, 10, 30, 5, 26, 3, 25, 1, 21, 22, 7, 28, 9, 29]
  

• C₃H₄O₃
  Fragment probability: 0.97
  Fragment mass: 101.08050000000001
  Fragment main chain atoms: [2, 4, 6]
  Fragment all atoms: [2, 23, 24, 18, 4, 8, 6, 27, 10, 30]
  

• C₆H₁₀O₄
  Fragment probability: 0.75
  Fragment mass: 84.0732
  Fragment main chain atoms: [5, 6]
  Fragment all atoms: [5, 26, 3, 25, 1, 21, 22, 7, 28, 9, 29, 6, 27, 4, 2, 23, 24, 8, 10, 30]
  

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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