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

Submission ID: OTP
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.62
• Compound probability: 0.84

List of identified carbohydrate fragments:

• C₂H₃O₁
  Fragment probability: 0.62
  Fragment mass: 55.0552
  Fragment main chain atoms: [32, 31]
  Fragment all atoms: [32, 113, 114, 46, 31, 112]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 55.098099999999995
  Fragment main chain atoms: [1, 33]
  Fragment all atoms: [1, 50, 51, 52, 33]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 55.098099999999995
  Fragment main chain atoms: [2, 33]
  Fragment all atoms: [2, 53, 54, 55, 33]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 54.090199999999996
  Fragment main chain atoms: [3, 34]
  Fragment all atoms: [3, 56, 57, 58, 34]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 54.090199999999996
  Fragment main chain atoms: [4, 35]
  Fragment all atoms: [4, 59, 60, 61, 35]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 54.090199999999996
  Fragment main chain atoms: [5, 36]
  Fragment all atoms: [5, 62, 63, 64, 36]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 54.090199999999996
  Fragment main chain atoms: [6, 37]
  Fragment all atoms: [6, 65, 66, 67, 37]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 54.090199999999996
  Fragment main chain atoms: [7, 38]
  Fragment all atoms: [7, 68, 69, 70, 38]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 54.090199999999996
  Fragment main chain atoms: [8, 39]
  Fragment all atoms: [8, 71, 72, 73, 39]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 54.090199999999996
  Fragment main chain atoms: [9, 40]
  Fragment all atoms: [9, 74, 75, 76, 40]
  

• C₄H₅
  Fragment probability: 0.31
  Fragment mass: 69.1246
  Fragment main chain atoms: [17, 33]
  Fragment all atoms: [17, 91, 10, 77, 78, 18, 92, 93, 33]
  

• C₄H₅
  Fragment probability: 0.31
  Fragment mass: 68.1167
  Fragment main chain atoms: [19, 34]
  Fragment all atoms: [19, 94, 11, 79, 80, 20, 95, 96, 34]
  

• C₄H₅
  Fragment probability: 0.31
  Fragment mass: 68.1167
  Fragment main chain atoms: [21, 35]
  Fragment all atoms: [21, 97, 12, 81, 82, 22, 98, 99, 35]
  

• C₄H₅
  Fragment probability: 0.31
  Fragment mass: 68.1167
  Fragment main chain atoms: [23, 36]
  Fragment all atoms: [23, 100, 13, 83, 84, 24, 101, 102, 36]
  

• C₄H₅
  Fragment probability: 0.31
  Fragment mass: 68.1167
  Fragment main chain atoms: [25, 37]
  Fragment all atoms: [25, 103, 14, 85, 86, 26, 104, 105, 37]
  

• C₄H₅
  Fragment probability: 0.31
  Fragment mass: 68.1167
  Fragment main chain atoms: [27, 38]
  Fragment all atoms: [27, 106, 15, 87, 88, 28, 107, 108, 38]
  

• C₄H₅
  Fragment probability: 0.31
  Fragment mass: 68.1167
  Fragment main chain atoms: [29, 39]
  Fragment all atoms: [29, 109, 16, 89, 90, 30, 110, 111, 39]
  

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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