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

Submission ID: A16
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: [14, 15, 18, 32, 8, 17, 27, 52, 65, 28, 53, 66, 30, 56, 68]
  Fragment all atoms: [14, 15, 18, 32, 8, 46, 4, 41, 42, 22, 60, 17, 55, 33, 27, 52, 65, 28, 53, 66, 30, 56, 68]
  

• C₆H₁₀N₁O₄
  Fragment probability: 1.00
  Fragment mass: 161.15540000000007
  Fragment main chain atoms: [31, 19, 16, 12, 9, 5, 29, 54, 67, 25, 50, 63]
  Fragment all atoms: [31, 19, 57, 33, 16, 12, 9, 47, 20, 5, 43, 1, 34, 35, 36, 29, 54, 67, 25, 50, 63]
  

• C₇H₁₃N₁O₄
  Fragment probability: 1.00
  Fragment mass: 176.18980000000002
  Fragment main chain atoms: [2, 6, 10, 13, 11, 7]
  Fragment all atoms: [2, 37, 38, 6, 44, 3, 39, 40, 21, 59, 10, 48, 23, 61, 13, 51, 26, 64, 11, 49, 24, 62, 7, 45, 20]
  

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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