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

Submission ID: SO1
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.91

List of identified carbohydrate fragments:

• C₆H₁₀O₅
  Fragment probability: 1.00
  Fragment mass: 162.14020000000005
  Fragment main chain atoms: [21, 20, 22, 15, 35, 23, 30, 72, 76, 29, 71, 75]
  Fragment all atoms: [21, 20, 22, 73, 33, 15, 66, 4, 45, 46, 47, 35, 23, 74, 34, 30, 72, 76, 29, 71, 75]
  

• C₁₅H₁₇O₄
  Fragment probability: 1.00
  Fragment mass: 172.2226
  Fragment main chain atoms: [25, 9, 16, 26, 27]
  Fragment all atoms: [25, 11, 18, 61, 28, 69, 7, 17, 53, 54, 68, 9, 57, 58, 16, 67, 8, 55, 56, 19, 70, 26, 10, 12, 59, 60, 62, 63, 34, 27, 24, 32, 31, 77, 13, 64]
  

• C₁₈H₂₃O₄
  Fragment probability: 1.00
  Fragment mass: 214.25920000000002
  Fragment main chain atoms: [25, 18, 17, 10, 26, 27]
  Fragment all atoms: [25, 9, 11, 57, 58, 16, 67, 61, 28, 18, 69, 7, 53, 54, 6, 51, 52, 17, 68, 14, 65, 3, 42, 43, 44, 10, 59, 60, 26, 12, 8, 55, 56, 62, 63, 34, 27, 24, 19, 32, 31, 77, 70, 13, 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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