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

Submission ID: 2M6
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: [11, 8, 40, 22, 17, 19, 32, 62, 83, 39, 73, 90, 38, 68, 89]
  Fragment all atoms: [11, 8, 59, 4, 54, 55, 28, 79, 40, 22, 17, 19, 70, 44, 32, 62, 83, 39, 73, 90, 38, 68, 89]
  

• C₆H₁₀O₆
  Fragment probability: 1.00
  Fragment mass: 178.13960000000006
  Fragment main chain atoms: [14, 10, 6, 41, 24, 21, 35, 65, 86, 31, 61, 82]
  Fragment all atoms: [14, 10, 6, 57, 2, 50, 51, 26, 77, 41, 24, 75, 44, 21, 72, 46, 35, 65, 86, 31, 61, 82]
  

• C₆H₁₀O₆
  Fragment probability: 1.00
  Fragment mass: 178.13960000000006
  Fragment main chain atoms: [13, 9, 7, 42, 25, 20, 34, 64, 85, 30, 60, 81]
  Fragment all atoms: [13, 9, 7, 58, 3, 52, 53, 27, 78, 42, 25, 76, 46, 20, 71, 45, 34, 64, 85, 30, 60, 81]
  

• C₇H₁₃O₆
  Fragment probability: 1.00
  Fragment mass: 178.13960000000006
  Fragment main chain atoms: [15, 12, 16, 23, 43, 18, 36, 66, 87, 33, 63, 84, 37, 67, 88]
  Fragment all atoms: [15, 12, 16, 23, 74, 45, 43, 18, 69, 5, 56, 1, 47, 48, 49, 29, 80, 36, 66, 87, 33, 63, 84, 37, 67, 88]
  

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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