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

Submission ID: KD5
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:

• C₇H₁₁O₄
  Fragment probability: 1.00
  Fragment mass: 147.14870000000002
  Fragment main chain atoms: [6, 7, 5, 15, 4]
  Fragment all atoms: [6, 22, 11, 25, 7, 23, 12, 26, 5, 21, 2, 18, 19, 9, 24, 15, 4, 20, 1, 16, 17, 3]
  

• C₄H₄O₃
  Fragment probability: 0.62
  Fragment mass: 71.05460000000001
  Fragment main chain atoms: [8, 3]
  Fragment all atoms: [8, 13, 14, 27, 3, 1, 16, 17, 4, 20, 10]
  

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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