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

Submission ID: ACX
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:

• C₆H₁₀O₆
  Fragment probability: 1.00
  Fragment mass: 178.13960000000006
  Fragment main chain atoms: [21, 15, 26, 8, 57, 33, 51, 93, 123, 45, 87, 117]
  Fragment all atoms: [21, 15, 26, 98, 62, 8, 80, 2, 69, 70, 38, 110, 57, 33, 105, 64, 51, 93, 123, 45, 87, 117]
  

• C₆H₁₀O₆
  Fragment probability: 1.00
  Fragment mass: 178.13960000000006
  Fragment main chain atoms: [23, 17, 28, 10, 59, 35, 53, 95, 125, 47, 89, 119]
  Fragment all atoms: [23, 17, 28, 100, 64, 10, 82, 4, 73, 74, 40, 112, 59, 35, 107, 66, 53, 95, 125, 47, 89, 119]
  

• C₆H₁₀O₆
  Fragment probability: 1.00
  Fragment mass: 178.13960000000006
  Fragment main chain atoms: [24, 18, 30, 12, 60, 36, 54, 96, 126, 48, 90, 120]
  Fragment all atoms: [24, 18, 30, 102, 66, 12, 84, 6, 77, 78, 42, 114, 60, 36, 108, 65, 54, 96, 126, 48, 90, 120]
  

• C₆H₁₀O₆
  Fragment probability: 1.00
  Fragment mass: 178.13960000000006
  Fragment main chain atoms: [22, 16, 29, 11, 58, 34, 52, 94, 124, 46, 88, 118]
  Fragment all atoms: [22, 16, 29, 101, 65, 11, 83, 5, 75, 76, 41, 113, 58, 34, 106, 63, 52, 94, 124, 46, 88, 118]
  

• C₆H₁₀O₆
  Fragment probability: 1.00
  Fragment mass: 178.13960000000006
  Fragment main chain atoms: [20, 14, 27, 9, 56, 32, 50, 92, 122, 44, 86, 116]
  Fragment all atoms: [20, 14, 27, 99, 63, 9, 81, 3, 71, 72, 39, 111, 56, 32, 104, 61, 50, 92, 122, 44, 86, 116]
  

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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