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

Submission ID: FGG
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.50
• Compound probability: 0.70

List of identified carbohydrate fragments:

• C₂H₂O₁
  Fragment probability: 0.50
  Fragment mass: 54.0473
  Fragment main chain atoms: [15, 20]
  Fragment all atoms: [15, 61, 62, 27, 20]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 55.098099999999995
  Fragment main chain atoms: [1, 16]
  Fragment all atoms: [1, 31, 32, 33, 16]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 55.098099999999995
  Fragment main chain atoms: [2, 16]
  Fragment all atoms: [2, 34, 35, 36, 16]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 54.090199999999996
  Fragment main chain atoms: [3, 17]
  Fragment all atoms: [3, 37, 38, 39, 17]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 54.090199999999996
  Fragment main chain atoms: [4, 18]
  Fragment all atoms: [4, 40, 41, 42, 18]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 53.0823
  Fragment main chain atoms: [5, 19]
  Fragment all atoms: [5, 43, 44, 45, 19]
  

• C₄H₅
  Fragment probability: 0.31
  Fragment mass: 69.1246
  Fragment main chain atoms: [9, 16]
  Fragment all atoms: [9, 52, 6, 46, 47, 10, 53, 54, 16]
  

• C₄H₅
  Fragment probability: 0.31
  Fragment mass: 68.1167
  Fragment main chain atoms: [11, 17]
  Fragment all atoms: [11, 55, 7, 48, 49, 12, 56, 57, 17]
  

• C₄H₅
  Fragment probability: 0.31
  Fragment mass: 68.1167
  Fragment main chain atoms: [13, 18]
  Fragment all atoms: [13, 58, 8, 50, 51, 14, 59, 60, 18]
  

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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