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

Submission ID: ACG
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.81

List of identified carbohydrate fragments:

• C₆H₁₁O₆
  Fragment probability: 1.00
  Fragment mass: 179.14750000000006
  Fragment main chain atoms: [19, 21, 28, 50, 11, 26, 41, 79, 101, 43, 81, 103, 47, 88, 107]
  Fragment all atoms: [19, 21, 28, 50, 11, 71, 5, 64, 65, 34, 94, 26, 86, 54, 41, 79, 101, 43, 81, 103, 47, 88, 107]
  

• C₆H₁₀O₆
  Fragment probability: 1.00
  Fragment mass: 178.13960000000006
  Fragment main chain atoms: [20, 24, 31, 51, 12, 27, 42, 80, 102, 46, 84, 106]
  Fragment all atoms: [20, 24, 31, 91, 54, 51, 12, 72, 6, 66, 67, 35, 95, 27, 87, 53, 42, 80, 102, 46, 84, 106]
  

• C₆H₁₁O₅
  Fragment probability: 1.00
  Fragment mass: 163.14810000000003
  Fragment main chain atoms: [23, 17, 14, 8, 49, 30, 45, 83, 105, 39, 77, 99, 36, 74, 96]
  Fragment all atoms: [23, 17, 14, 8, 69, 2, 58, 59, 60, 49, 30, 90, 52, 45, 83, 105, 39, 77, 99, 36, 74, 96]
  

• C₆H₁₀N₁O₄
  Fragment probability: 1.00
  Fragment mass: 161.15540000000007
  Fragment main chain atoms: [48, 29, 22, 16, 13, 7, 44, 82, 104, 38, 76, 98]
  Fragment all atoms: [48, 29, 89, 53, 22, 16, 13, 73, 32, 7, 68, 1, 55, 56, 57, 44, 82, 104, 38, 76, 98]
  

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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