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

Submission ID: PM0
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.66

List of identified carbohydrate fragments:

• C₆H₁₀O₄
  Fragment probability: 1.00
  Fragment mass: 146.14080000000004
  Fragment main chain atoms: [14, 30, 43, 21, 69, 34, 135, 58, 143]
  Fragment all atoms: [14, 111, 112, 30, 126, 74, 43, 21, 120, 4, 87, 88, 89, 69, 34, 130, 73, 135, 58, 143]
  

• C₆H₁₁O₄
  Fragment probability: 1.00
  Fragment mass: 147.14870000000002
  Fragment main chain atoms: [13, 28, 42, 20, 68, 33, 55, 125, 140, 134, 57, 142]
  Fragment all atoms: [13, 109, 110, 28, 42, 20, 119, 3, 84, 85, 86, 68, 33, 129, 74, 55, 125, 140, 134, 57, 142]
  

• C₆H₁₀O₄
  Fragment probability: 1.00
  Fragment mass: 146.14080000000004
  Fragment main chain atoms: [16, 32, 45, 23, 71, 36, 137, 60, 145]
  Fragment all atoms: [16, 115, 116, 32, 128, 75, 45, 23, 122, 6, 93, 94, 95, 71, 36, 132, 77, 137, 60, 145]
  

• C₆H₁₀O₄
  Fragment probability: 1.00
  Fragment mass: 146.14080000000004
  Fragment main chain atoms: [15, 31, 44, 22, 70, 35, 136, 59, 144]
  Fragment all atoms: [15, 113, 114, 31, 127, 76, 44, 22, 121, 5, 90, 91, 92, 70, 35, 131, 75, 136, 59, 144]
  

• C₇H₁₃O₄
  Fragment probability: 1.00
  Fragment mass: 144.1679
  Fragment main chain atoms: [17, 52, 49, 24, 72, 37, 63, 139, 148]
  Fragment all atoms: [17, 117, 118, 52, 8, 99, 100, 101, 66, 149, 49, 24, 123, 7, 96, 97, 98, 72, 37, 133, 76, 63, 139, 148]
  

• C₂H₃O₁
  Fragment probability: 0.62
  Fragment mass: 39.0558
  Fragment main chain atoms: [2, 19]
  Fragment all atoms: [2, 81, 82, 83, 19, 54]
  

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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