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

Submission ID: BCD
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.87

List of identified carbohydrate fragments:

• C₆H₁₀O₆
  Fragment probability: 1.00
  Fragment mass: 178.13960000000006
  Fragment main chain atoms: [24, 17, 30, 9, 66, 38, 59, 108, 143, 52, 101, 136]
  Fragment all atoms: [24, 17, 30, 114, 72, 9, 93, 2, 80, 81, 44, 128, 66, 38, 122, 74, 59, 108, 143, 52, 101, 136]
  

• C₆H₁₀O₆
  Fragment probability: 1.00
  Fragment mass: 178.13960000000006
  Fragment main chain atoms: [26, 19, 32, 11, 68, 40, 61, 110, 145, 54, 103, 138]
  Fragment all atoms: [26, 19, 32, 116, 74, 11, 95, 4, 84, 85, 46, 130, 68, 40, 124, 76, 61, 110, 145, 54, 103, 138]
  

• C₆H₁₀O₆
  Fragment probability: 1.00
  Fragment mass: 178.13960000000006
  Fragment main chain atoms: [28, 21, 34, 13, 70, 42, 63, 112, 147, 56, 105, 140]
  Fragment all atoms: [28, 21, 34, 118, 76, 13, 97, 6, 88, 89, 48, 132, 70, 42, 126, 77, 63, 112, 147, 56, 105, 140]
  

• C₆H₁₀O₆
  Fragment probability: 1.00
  Fragment mass: 178.13960000000006
  Fragment main chain atoms: [27, 20, 35, 14, 69, 41, 62, 111, 146, 55, 104, 139]
  Fragment all atoms: [27, 20, 35, 119, 77, 14, 98, 7, 90, 91, 49, 133, 69, 41, 125, 75, 62, 111, 146, 55, 104, 139]
  

• C₆H₁₀O₆
  Fragment probability: 1.00
  Fragment mass: 178.13960000000006
  Fragment main chain atoms: [25, 18, 33, 12, 67, 39, 60, 109, 144, 53, 102, 137]
  Fragment all atoms: [25, 18, 33, 117, 75, 12, 96, 5, 86, 87, 47, 131, 67, 39, 123, 73, 60, 109, 144, 53, 102, 137]
  

• C₆H₁₀O₆
  Fragment probability: 1.00
  Fragment mass: 178.13960000000006
  Fragment main chain atoms: [23, 16, 31, 10, 65, 37, 58, 107, 142, 51, 100, 135]
  Fragment all atoms: [23, 16, 31, 115, 73, 10, 94, 3, 82, 83, 45, 129, 65, 37, 121, 71, 58, 107, 142, 51, 100, 135]
  

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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