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

Submission ID: VDM
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.52

List of identified carbohydrate fragments:

• C₇H₁₃N₁O₄
  Fragment probability: 1.00
  Fragment mass: 176.18980000000002
  Fragment main chain atoms: [2, 6, 10, 14, 12, 8]
  Fragment all atoms: [2, 25, 26, 6, 31, 4, 29, 30, 17, 42, 10, 35, 19, 44, 14, 39, 23, 48, 12, 37, 21, 46, 8, 33, 15]
  

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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