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

Submission ID: GAC
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: [16, 18, 23, 41, 9, 21, 34, 66, 84, 36, 68, 86, 39, 73, 89]
  Fragment all atoms: [16, 18, 23, 41, 9, 59, 4, 52, 53, 28, 78, 21, 71, 44, 34, 66, 84, 36, 68, 86, 39, 73, 89]
  

• C₆H₁₀O₆
  Fragment probability: 1.00
  Fragment mass: 178.13960000000006
  Fragment main chain atoms: [17, 20, 25, 42, 10, 22, 35, 67, 85, 38, 70, 88]
  Fragment all atoms: [17, 20, 25, 75, 44, 42, 10, 60, 5, 54, 55, 29, 79, 22, 72, 43, 35, 67, 85, 38, 70, 88]
  

• C₆H₁₀N₁O₄
  Fragment probability: 1.00
  Fragment mass: 161.15540000000007
  Fragment main chain atoms: [40, 24, 19, 14, 11, 6, 37, 69, 87, 32, 64, 82]
  Fragment all atoms: [40, 24, 74, 43, 19, 14, 11, 61, 26, 6, 56, 1, 45, 46, 47, 37, 69, 87, 32, 64, 82]
  

• C₇H₁₃N₁O₄
  Fragment probability: 1.00
  Fragment mass: 176.18980000000002
  Fragment main chain atoms: [2, 7, 12, 15, 13, 8]
  Fragment all atoms: [2, 48, 49, 7, 57, 3, 50, 51, 27, 77, 12, 62, 30, 80, 15, 65, 33, 83, 13, 63, 31, 81, 8, 58, 26]
  

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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