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

Submission ID: 6SA
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.85

List of identified carbohydrate fragments:

• C₆H₁₁O₆
  Fragment probability: 1.00
  Fragment mass: 179.14750000000006
  Fragment main chain atoms: [60, 33, 25, 20, 18, 14, 57, 105, 129, 52, 97, 124, 47, 92, 119, 45, 90, 117]
  Fragment all atoms: [60, 33, 25, 20, 18, 14, 86, 7, 79, 80, 58, 57, 105, 129, 52, 97, 124, 47, 92, 119, 45, 90, 117]
  

• C₆H₁₀O₆
  Fragment probability: 1.00
  Fragment mass: 178.13960000000006
  Fragment main chain atoms: [23, 28, 34, 62, 12, 31, 50, 95, 122, 55, 100, 127]
  Fragment all atoms: [23, 28, 34, 106, 58, 62, 12, 84, 5, 75, 76, 41, 113, 31, 103, 65, 50, 95, 122, 55, 100, 127]
  

• C₆H₁₁O₆
  Fragment probability: 1.00
  Fragment mass: 179.14750000000006
  Fragment main chain atoms: [27, 21, 17, 11, 61, 36, 54, 99, 126, 48, 93, 120, 44, 89, 116]
  Fragment all atoms: [27, 21, 17, 11, 83, 4, 73, 74, 40, 112, 61, 36, 108, 66, 54, 99, 126, 48, 93, 120, 44, 89, 116]
  

• C₆H₁₀O₆
  Fragment probability: 1.00
  Fragment mass: 178.13960000000006
  Fragment main chain atoms: [29, 24, 32, 13, 63, 37, 56, 101, 128, 51, 96, 123]
  Fragment all atoms: [29, 24, 32, 104, 66, 13, 85, 6, 77, 78, 42, 114, 63, 37, 109, 64, 56, 101, 128, 51, 96, 123]
  

• C₆H₁₀N₁O₄
  Fragment probability: 1.00
  Fragment mass: 161.15540000000007
  Fragment main chain atoms: [59, 35, 26, 19, 15, 8, 53, 98, 125, 46, 91, 118]
  Fragment all atoms: [59, 35, 107, 65, 26, 19, 15, 87, 38, 8, 81, 1, 67, 68, 69, 53, 98, 125, 46, 91, 118]
  

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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