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

Submission ID: QPU
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:

• C₇H₁₃N₁O₄
  Fragment probability: 1.00
  Fragment mass: 176.18980000000002
  Fragment main chain atoms: [11, 10, 15, 16, 12, 5]
  Fragment all atoms: [11, 49, 23, 61, 10, 48, 20, 15, 53, 27, 65, 16, 54, 28, 66, 12, 50, 24, 62, 5, 43, 1, 33, 34, 35]
  

• C₆H₁₁O₅
  Fragment probability: 1.00
  Fragment mass: 163.14810000000003
  Fragment main chain atoms: [13, 7, 4, 30, 8, 18, 25, 51, 63, 22, 45, 60]
  Fragment all atoms: [13, 7, 4, 41, 42, 30, 8, 46, 3, 39, 40, 21, 59, 18, 56, 32, 25, 51, 63, 22, 45, 60]
  

• C₆H₁₀N₁O₄
  Fragment probability: 1.00
  Fragment mass: 161.15540000000004
  Fragment main chain atoms: [6, 31, 19, 17, 14, 9, 29, 55, 67, 26, 52, 64]
  Fragment all atoms: [6, 44, 2, 36, 37, 38, 31, 19, 57, 32, 17, 14, 9, 47, 20, 29, 55, 67, 26, 52, 64]
  

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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