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

Submission ID: GOS
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:

• C₆H₁₂O₆
  Fragment probability: 1.00
  Fragment mass: 180.15540000000007
  Fragment main chain atoms: [1, 3, 5, 6, 4, 2]
  Fragment all atoms: [1, 21, 22, 17, 3, 25, 7, 29, 5, 27, 9, 31, 6, 28, 10, 32, 4, 26, 8, 30, 2, 23, 24, 18]
  

• C₂H₄O₂
  Fragment probability: 1.00
  Fragment mass: 73.0704
  Fragment main chain atoms: [1, 3]
  Fragment all atoms: [1, 21, 22, 17, 3, 25, 7, 29]
  

• 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, 29, 5, 27, 9, 31]
  

• C₄H₈O₄
  Fragment probability: 1.00
  Fragment mass: 133.12220000000002
  Fragment main chain atoms: [1, 3, 5, 6]
  Fragment all atoms: [1, 21, 22, 17, 3, 25, 7, 29, 5, 27, 9, 31, 6, 28, 10, 32]
  

• C₂H₄O₂
  Fragment probability: 1.00
  Fragment mass: 73.0704
  Fragment main chain atoms: [2, 4]
  Fragment all atoms: [2, 23, 24, 18, 4, 26, 8, 30]
  

• C₆H₁₂O₅
  Fragment probability: 0.92
  Fragment mass: 133.12220000000002
  Fragment main chain atoms: [2, 4, 6, 5]
  Fragment all atoms: [2, 23, 24, 18, 4, 26, 8, 30, 6, 28, 10, 32, 5, 27, 3, 25, 1, 21, 22, 7, 29, 9, 31]
  

• C₅H₉O₄
  Fragment probability: 0.85
  Fragment mass: 103.09630000000001
  Fragment main chain atoms: [2, 4, 6]
  Fragment all atoms: [2, 23, 24, 18, 4, 26, 8, 30, 6, 28, 5, 27, 3, 25, 9, 31, 10, 32]
  

• C₄H₈O₃
  Fragment probability: 0.88
  Fragment mass: 86.08900000000001
  Fragment main chain atoms: [5, 6]
  Fragment all atoms: [5, 27, 3, 25, 1, 21, 22, 7, 29, 9, 31, 6, 28, 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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