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

Submission ID: 6ZL
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.82

List of identified carbohydrate fragments:

• C₆H₁₁O₆
  Fragment probability: 1.00
  Fragment mass: 179.14750000000006
  Fragment main chain atoms: [34, 30, 28, 24, 61, 42, 123, 55, 143, 51, 119, 139, 49, 117, 137]
  Fragment all atoms: [34, 30, 28, 24, 113, 18, 102, 103, 45, 133, 61, 42, 131, 65, 123, 55, 143, 51, 119, 139, 49, 117, 137]
  

• C₆H₁₀O₆
  Fragment probability: 1.00
  Fragment mass: 178.13960000000006
  Fragment main chain atoms: [36, 32, 38, 26, 63, 40, 57, 125, 145, 121, 53, 141]
  Fragment all atoms: [36, 32, 38, 127, 65, 26, 115, 20, 106, 107, 47, 135, 63, 40, 129, 59, 57, 125, 145, 121, 53, 141]
  

• C₆H₁₁O₆
  Fragment probability: 1.00
  Fragment mass: 179.14750000000006
  Fragment main chain atoms: [33, 29, 27, 23, 60, 41, 122, 54, 142, 118, 50, 138, 48, 116, 136]
  Fragment all atoms: [33, 29, 27, 23, 112, 17, 100, 101, 44, 132, 60, 41, 130, 64, 122, 54, 142, 118, 50, 138, 48, 116, 136]
  

• C₆H₁₀O₆
  Fragment probability: 1.00
  Fragment mass: 178.13960000000006
  Fragment main chain atoms: [35, 31, 37, 25, 62, 39, 124, 56, 144, 52, 120, 140]
  Fragment all atoms: [35, 31, 37, 126, 64, 25, 114, 19, 104, 105, 46, 134, 62, 39, 128, 58, 124, 56, 144, 52, 120, 140]
  

• C₇H₁₂O₂
  Fragment probability: 0.57
  Fragment mass: 100.1155
  Fragment main chain atoms: [21, 43, 22]
  Fragment all atoms: [21, 108, 109, 58, 43, 15, 16, 96, 97, 13, 92, 93, 98, 99, 14, 94, 95, 22, 110, 111, 59]
  

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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