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

Submission ID: TM5
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.95

List of identified carbohydrate fragments:

• C₆H₁₁O₅
  Fragment probability: 1.00
  Fragment mass: 163.14810000000006
  Fragment main chain atoms: [50, 29, 20, 12, 11, 6, 45, 81, 106, 37, 73, 98, 36, 72, 97]
  Fragment all atoms: [50, 29, 90, 20, 12, 11, 6, 67, 1, 57, 58, 31, 92, 45, 81, 106, 37, 73, 98, 36, 72, 97]
  

• C₆H₁₀O₅
  Fragment probability: 1.00
  Fragment mass: 162.14020000000005
  Fragment main chain atoms: [13, 19, 28, 49, 7, 22, 38, 74, 99, 44, 80, 105]
  Fragment all atoms: [13, 19, 28, 89, 49, 7, 68, 2, 59, 60, 32, 93, 22, 83, 52, 38, 74, 99, 44, 80, 105]
  

• C₆H₁₀O₅
  Fragment probability: 1.00
  Fragment mass: 162.14020000000005
  Fragment main chain atoms: [16, 17, 26, 47, 10, 25, 41, 77, 102, 42, 78, 103]
  Fragment all atoms: [16, 17, 26, 87, 52, 47, 10, 71, 5, 65, 66, 35, 96, 25, 86, 41, 77, 102, 42, 78, 103]
  

• C₆H₁₀O₅
  Fragment probability: 1.00
  Fragment mass: 162.14020000000005
  Fragment main chain atoms: [14, 21, 30, 51, 8, 23, 39, 75, 100, 46, 82, 107]
  Fragment all atoms: [14, 21, 30, 91, 51, 8, 69, 3, 61, 62, 33, 94, 23, 84, 53, 39, 75, 100, 46, 82, 107]
  

• C₆H₁₀O₅
  Fragment probability: 1.00
  Fragment mass: 162.14020000000005
  Fragment main chain atoms: [15, 18, 27, 48, 9, 24, 40, 76, 101, 43, 79, 104]
  Fragment all atoms: [15, 18, 27, 88, 53, 48, 9, 70, 4, 63, 64, 34, 95, 24, 85, 40, 76, 101, 43, 79, 104]
  

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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