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

Submission ID: AD4
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.44

List of identified carbohydrate fragments:

• C₁₀H₁₀O₅
  Fragment probability: 1.00
  Fragment mass: 137.11260000000001
  Fragment main chain atoms: [60, 42, 46, 47, 40]
  Fragment all atoms: [60, 42, 53, 46, 10, 90, 91, 92, 55, 136, 47, 33, 130, 29, 128, 129, 57, 56, 137, 40, 134, 36, 31, 37, 131]
  

• C₅H₇O₂
  Fragment probability: 0.55
  Fragment mass: 84.07320000000001
  Fragment main chain atoms: [41, 30, 3]
  Fragment all atoms: [41, 52, 59, 30, 12, 95, 2, 66, 67, 68, 3, 69, 70, 71]
  

• C₂O₂
  Fragment probability: 0.90
  Fragment mass: 84.07320000000001
  Fragment main chain atoms: [41, 30]
  Fragment all atoms: [41, 52, 59, 30]
  

• C₂H₄
  Fragment probability: 0.50
  Fragment mass: 40.0637
  Fragment main chain atoms: [2, 12]
  Fragment all atoms: [2, 66, 67, 68, 12, 95]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 84.07319999999999
  Fragment main chain atoms: [3, 30]
  Fragment all atoms: [3, 69, 70, 71, 30]
  

• C₄H₉O₁
  Fragment probability: 0.56
  Fragment mass: 57.113899999999994
  Fragment main chain atoms: [6, 44, 7]
  Fragment all atoms: [6, 78, 79, 80, 44, 8, 84, 85, 86, 62, 7, 81, 82, 83]
  

• C₃H₄
  Fragment probability: 0.33
  Fragment mass: 99.10759999999999
  Fragment main chain atoms: [12, 30]
  Fragment all atoms: [12, 95, 2, 66, 67, 68, 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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