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

Submission ID: MT7
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: [17, 23, 36, 66, 9, 30, 102, 52, 137, 108, 58, 143, 65, 121, 150]
  Fragment all atoms: [17, 23, 36, 66, 9, 94, 2, 81, 82, 44, 129, 30, 115, 73, 102, 52, 137, 108, 58, 143, 65, 121, 150]
  

• C₆H₁₀O₆
  Fragment probability: 1.00
  Fragment mass: 178.13960000000006
  Fragment main chain atoms: [19, 25, 38, 68, 11, 32, 104, 54, 139, 110, 60, 145]
  Fragment all atoms: [19, 25, 38, 123, 73, 68, 11, 96, 4, 85, 86, 46, 131, 32, 117, 75, 104, 54, 139, 110, 60, 145]
  

• C₆H₁₀O₆
  Fragment probability: 1.00
  Fragment mass: 178.13960000000006
  Fragment main chain atoms: [21, 27, 40, 70, 13, 34, 106, 56, 141, 112, 62, 147]
  Fragment all atoms: [21, 27, 40, 125, 75, 70, 13, 98, 6, 89, 90, 48, 133, 34, 119, 77, 106, 56, 141, 112, 62, 147]
  

• C₆H₁₀O₆
  Fragment probability: 1.00
  Fragment mass: 178.13960000000006
  Fragment main chain atoms: [22, 29, 42, 72, 14, 35, 107, 57, 142, 114, 64, 149]
  Fragment all atoms: [22, 29, 42, 127, 77, 72, 14, 99, 7, 91, 92, 49, 134, 35, 120, 78, 107, 57, 142, 114, 64, 149]
  

• C₆H₁₀O₆
  Fragment probability: 1.00
  Fragment mass: 178.13960000000006
  Fragment main chain atoms: [12, 71, 41, 28, 20, 33, 113, 63, 148, 55, 105, 140]
  Fragment all atoms: [12, 97, 5, 87, 88, 47, 132, 71, 41, 126, 78, 28, 20, 33, 118, 76, 113, 63, 148, 55, 105, 140]
  

• C₆H₁₀O₆
  Fragment probability: 1.00
  Fragment mass: 178.13960000000006
  Fragment main chain atoms: [18, 26, 39, 69, 10, 31, 103, 53, 138, 111, 61, 146]
  Fragment all atoms: [18, 26, 39, 124, 76, 69, 10, 95, 3, 83, 84, 45, 130, 31, 116, 74, 103, 53, 138, 111, 61, 146]
  

• C₆H₁₁O₆
  Fragment probability: 1.00
  Fragment mass: 179.14750000000006
  Fragment main chain atoms: [15, 16, 24, 37, 67, 8, 50, 100, 135, 101, 51, 136, 109, 59, 144]
  Fragment all atoms: [15, 16, 24, 37, 122, 74, 67, 8, 93, 1, 79, 80, 43, 128, 50, 100, 135, 101, 51, 136, 109, 59, 144]
  

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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