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

Submission ID: TXT
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: [10, 50, 28, 21, 18, 25, 90, 48, 110, 83, 44, 106, 41, 80, 103]
  Fragment all atoms: [10, 72, 4, 63, 64, 34, 96, 50, 28, 21, 18, 25, 87, 54, 90, 48, 110, 83, 44, 106, 41, 80, 103]
  

• C₆H₁₀O₆
  Fragment probability: 1.00
  Fragment mass: 178.13960000000006
  Fragment main chain atoms: [12, 52, 30, 24, 20, 27, 86, 47, 109, 43, 82, 105]
  Fragment all atoms: [12, 74, 6, 67, 68, 36, 98, 52, 30, 92, 54, 24, 20, 27, 89, 55, 86, 47, 109, 43, 82, 105]
  

• C₆H₁₀O₆
  Fragment probability: 1.00
  Fragment mass: 178.13960000000006
  Fragment main chain atoms: [11, 51, 31, 23, 19, 26, 46, 85, 108, 42, 81, 104]
  Fragment all atoms: [11, 73, 5, 65, 66, 35, 97, 51, 31, 93, 55, 23, 19, 26, 88, 53, 46, 85, 108, 42, 81, 104]
  

• C₇H₁₃N₁O₄
  Fragment probability: 1.00
  Fragment mass: 176.18980000000002
  Fragment main chain atoms: [2, 8, 14, 17, 15, 9]
  Fragment all atoms: [2, 59, 60, 8, 70, 3, 61, 62, 33, 95, 14, 76, 37, 99, 17, 79, 40, 102, 15, 77, 38, 100, 9, 71, 32]
  

• C₆H₁₀N₁O₄
  Fragment probability: 1.00
  Fragment mass: 161.15540000000007
  Fragment main chain atoms: [49, 29, 22, 16, 13, 7, 84, 45, 107, 78, 39, 101]
  Fragment all atoms: [49, 29, 91, 53, 22, 16, 13, 75, 32, 7, 69, 1, 56, 57, 58, 84, 45, 107, 78, 39, 101]
  

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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