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

Submission ID: CEY
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 1.00

List of identified carbohydrate fragments:

• C₆H₁₁O₆
  Fragment probability: 1.00
  Fragment mass: 179.14750000000006
  Fragment main chain atoms: [8, 57, 31, 20, 15, 26, 104, 56, 129, 93, 50, 123, 45, 88, 118]
  Fragment all atoms: [8, 81, 2, 70, 71, 38, 111, 57, 31, 20, 15, 26, 99, 63, 104, 56, 129, 93, 50, 123, 45, 88, 118]
  

• C₆H₁₀O₆
  Fragment probability: 1.00
  Fragment mass: 178.13960000000006
  Fragment main chain atoms: [17, 22, 33, 59, 10, 28, 90, 47, 120, 95, 52, 125]
  Fragment all atoms: [17, 22, 33, 106, 63, 59, 10, 83, 4, 74, 75, 40, 113, 28, 101, 65, 90, 47, 120, 95, 52, 125]
  

• C₆H₁₀O₆
  Fragment probability: 1.00
  Fragment mass: 178.13960000000006
  Fragment main chain atoms: [19, 24, 35, 61, 12, 30, 92, 49, 122, 97, 54, 127]
  Fragment all atoms: [19, 24, 35, 108, 65, 61, 12, 85, 6, 78, 79, 42, 115, 30, 103, 67, 92, 49, 122, 97, 54, 127]
  

• C₆H₁₀O₆
  Fragment probability: 1.00
  Fragment mass: 178.13960000000006
  Fragment main chain atoms: [18, 25, 36, 62, 11, 29, 91, 48, 121, 98, 55, 128]
  Fragment all atoms: [18, 25, 36, 109, 67, 62, 11, 84, 5, 76, 77, 41, 114, 29, 102, 66, 91, 48, 121, 98, 55, 128]
  

• C₆H₁₀O₆
  Fragment probability: 1.00
  Fragment mass: 178.13960000000006
  Fragment main chain atoms: [16, 23, 34, 60, 9, 27, 89, 46, 119, 96, 53, 126]
  Fragment all atoms: [16, 23, 34, 107, 66, 60, 9, 82, 3, 72, 73, 39, 112, 27, 100, 64, 89, 46, 119, 96, 53, 126]
  

• C₆H₁₁O₆
  Fragment probability: 1.00
  Fragment mass: 179.14750000000006
  Fragment main chain atoms: [13, 14, 21, 32, 58, 7, 43, 86, 116, 87, 44, 117, 94, 51, 124]
  Fragment all atoms: [13, 14, 21, 32, 105, 64, 58, 7, 80, 1, 68, 69, 37, 110, 43, 86, 116, 87, 44, 117, 94, 51, 124]
  

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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