Logo Cheminformatics Tool for Probabilistic Identification of Carbohydrates
(CTPIC)
v 1.1 (Spring 2020)
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Process a structure file
Publication files:

Submission ID: FQ8
File name: alatis_output_compound.sdf

Formula: C15H35O22P3
Compound mass: 660.3451999999979
Compound with ALATIS labels (download):

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

  • Fragment probability: 1.00
  • Compound probability: 0.80

List of identified carbohydrate fragments:

  • C15H31O15
    Fragment probability: 1.00
    Fragment mass: 579.3574
    Fragment main chain atoms: [1, 7, 13, 9, 3, 34, 39, 36, 5, 11, 15, 12, 6, 37, 40, 35, 4, 10, 14, 8, 2]
    Fragment all atoms: [1, 41, 42, 16, 62, 7, 53, 17, 63, 13, 59, 23, 69, 9, 55, 19, 65, 3, 45, 46, 34, 39, 36, 5, 49, 50, 11, 57, 21, 67, 15, 61, 25, 71, 12, 58, 22, 68, 6, 51, 52, 37, 40, 35, 4, 47, 48, 10, 56, 20, 66, 14, 60, 24, 70, 8, 54, 18, 64, 2, 43, 44, 33]

  • C5H11O5
    Fragment probability: 0.99
    Fragment mass: 151.13740000000004
    Fragment main chain atoms: [1, 7, 13, 9, 3]
    Fragment all atoms: [1, 41, 42, 16, 62, 7, 53, 17, 63, 13, 59, 23, 69, 9, 55, 19, 65, 3, 45, 46, 34]

  • C11H23O11
    Fragment probability: 1.00
    Fragment mass: 489.27969999999993
    Fragment main chain atoms: [1, 7, 13, 9, 3, 34, 39, 36, 5, 11, 15, 12, 6, 37, 40, 35, 4]
    Fragment all atoms: [1, 41, 42, 16, 62, 7, 53, 17, 63, 13, 59, 23, 69, 9, 55, 19, 65, 3, 45, 46, 34, 39, 36, 5, 49, 50, 11, 57, 21, 67, 15, 61, 25, 71, 12, 58, 22, 68, 6, 51, 52, 37, 40, 35, 4, 47, 48]

  • C6H13O6
    Fragment probability: 0.99
    Fragment mass: 275.1697000000001
    Fragment main chain atoms: [1, 7, 13, 9, 3, 34, 39, 36, 5]
    Fragment all atoms: [1, 41, 42, 16, 62, 7, 53, 17, 63, 13, 59, 23, 69, 9, 55, 19, 65, 3, 45, 46, 34, 39, 36, 5, 49, 50]

  • C10H21O10
    Fragment probability: 0.99
    Fragment mass: 365.2474
    Fragment main chain atoms: [1, 7, 13, 9, 3, 34, 39, 36, 5, 11, 15, 12, 6]
    Fragment all atoms: [1, 41, 42, 16, 62, 7, 53, 17, 63, 13, 59, 23, 69, 9, 55, 19, 65, 3, 45, 46, 34, 39, 36, 5, 49, 50, 11, 57, 21, 67, 15, 61, 25, 71, 12, 58, 22, 68, 6, 51, 52, 37]

  • C2H5O2
    Fragment probability: 0.97
    Fragment mass: 74.0783
    Fragment main chain atoms: [1, 7]
    Fragment all atoms: [1, 41, 42, 16, 62, 7, 53, 17, 63]

  • C12H25O12
    Fragment probability: 1.00
    Fragment mass: 502.2982999999999
    Fragment main chain atoms: [1, 7, 13, 9, 3, 34, 39, 36, 5, 11, 15, 12, 6, 37, 40, 35, 4, 10]
    Fragment all atoms: [1, 41, 42, 16, 62, 7, 53, 17, 63, 13, 59, 23, 69, 9, 55, 19, 65, 3, 45, 46, 34, 39, 36, 5, 49, 50, 11, 57, 21, 67, 15, 61, 25, 71, 12, 58, 22, 68, 6, 51, 52, 37, 40, 35, 4, 47, 48, 10, 56, 20, 66]

  • C7H15O7
    Fragment probability: 0.99
    Fragment mass: 288.1883000000001
    Fragment main chain atoms: [1, 7, 13, 9, 3, 34, 39, 36, 5, 11]
    Fragment all atoms: [1, 41, 42, 16, 62, 7, 53, 17, 63, 13, 59, 23, 69, 9, 55, 19, 65, 3, 45, 46, 34, 39, 36, 5, 49, 50, 11, 57, 21, 67]

  • C3H7O3
    Fragment probability: 0.98
    Fragment mass: 104.10420000000002
    Fragment main chain atoms: [1, 7, 13]
    Fragment all atoms: [1, 41, 42, 16, 62, 7, 53, 17, 63, 13, 59, 23, 69]

  • C15H31O14
    Fragment probability: 0.95
    Fragment mass: 532.3241999999999
    Fragment main chain atoms: [1, 7, 13, 9, 3, 34, 39, 36, 5, 11, 15, 12, 6, 37, 40, 35, 4, 10, 14]
    Fragment all atoms: [1, 41, 42, 16, 62, 7, 53, 17, 63, 13, 59, 23, 69, 9, 55, 19, 65, 3, 45, 46, 34, 39, 36, 5, 49, 50, 11, 57, 21, 67, 15, 61, 25, 71, 12, 58, 22, 68, 6, 51, 52, 37, 40, 35, 4, 47, 48, 10, 56, 20, 66, 14, 60, 8, 54, 2, 43, 44, 18, 64, 24, 70]

  • C10H21O9
    Fragment probability: 0.93
    Fragment mass: 318.21420000000006
    Fragment main chain atoms: [1, 7, 13, 9, 3, 34, 39, 36, 5, 11, 15]
    Fragment all atoms: [1, 41, 42, 16, 62, 7, 53, 17, 63, 13, 59, 23, 69, 9, 55, 19, 65, 3, 45, 46, 34, 39, 36, 5, 49, 50, 11, 57, 21, 67, 15, 61, 12, 58, 6, 51, 52, 22, 68, 25, 71]

  • C11H22O11
    Fragment probability: 1.00
    Fragment mass: 488.2717999999999
    Fragment main chain atoms: [2, 8, 14, 10, 4, 35, 40, 37, 6, 12, 15, 11, 5, 36, 39, 34, 3]
    Fragment all atoms: [2, 43, 44, 33, 8, 54, 18, 64, 14, 60, 24, 70, 10, 56, 20, 66, 4, 47, 48, 35, 40, 37, 6, 51, 52, 12, 58, 22, 68, 15, 61, 25, 71, 11, 57, 21, 67, 5, 49, 50, 36, 39, 34, 3, 45, 46]

  • C5H10O5
    Fragment probability: 1.00
    Fragment mass: 150.12950000000004
    Fragment main chain atoms: [2, 8, 14, 10, 4]
    Fragment all atoms: [2, 43, 44, 33, 8, 54, 18, 64, 14, 60, 24, 70, 10, 56, 20, 66, 4, 47, 48, 35]

  • C10H20O10
    Fragment probability: 1.00
    Fragment mass: 364.2395
    Fragment main chain atoms: [2, 8, 14, 10, 4, 35, 40, 37, 6, 12, 15, 11, 5]
    Fragment all atoms: [2, 43, 44, 33, 8, 54, 18, 64, 14, 60, 24, 70, 10, 56, 20, 66, 4, 47, 48, 35, 40, 37, 6, 51, 52, 12, 58, 22, 68, 15, 61, 25, 71, 11, 57, 21, 67, 5, 49, 50, 36]

  • C6H12O6
    Fragment probability: 1.00
    Fragment mass: 274.1618000000001
    Fragment main chain atoms: [2, 8, 14, 10, 4, 35, 40, 37, 6]
    Fragment all atoms: [2, 43, 44, 33, 8, 54, 18, 64, 14, 60, 24, 70, 10, 56, 20, 66, 4, 47, 48, 35, 40, 37, 6, 51, 52]

  • C2H4O2
    Fragment probability: 1.00
    Fragment mass: 73.0704
    Fragment main chain atoms: [2, 8]
    Fragment all atoms: [2, 43, 44, 33, 8, 54, 18, 64]

  • C12H24O12
    Fragment probability: 1.00
    Fragment mass: 501.2903999999999
    Fragment main chain atoms: [2, 8, 14, 10, 4, 35, 40, 37, 6, 12, 15, 11, 5, 36, 39, 34, 3, 9]
    Fragment all atoms: [2, 43, 44, 33, 8, 54, 18, 64, 14, 60, 24, 70, 10, 56, 20, 66, 4, 47, 48, 35, 40, 37, 6, 51, 52, 12, 58, 22, 68, 15, 61, 25, 71, 11, 57, 21, 67, 5, 49, 50, 36, 39, 34, 3, 45, 46, 9, 55, 19, 65]

  • C7H14O7
    Fragment probability: 1.00
    Fragment mass: 287.1804000000001
    Fragment main chain atoms: [2, 8, 14, 10, 4, 35, 40, 37, 6, 12]
    Fragment all atoms: [2, 43, 44, 33, 8, 54, 18, 64, 14, 60, 24, 70, 10, 56, 20, 66, 4, 47, 48, 35, 40, 37, 6, 51, 52, 12, 58, 22, 68]

  • C15H30O14
    Fragment probability: 0.97
    Fragment mass: 531.3162999999998
    Fragment main chain atoms: [2, 8, 14, 10, 4, 35, 40, 37, 6, 12, 15, 11, 5, 36, 39, 34, 3, 9, 13]
    Fragment all atoms: [2, 43, 44, 33, 8, 54, 18, 64, 14, 60, 24, 70, 10, 56, 20, 66, 4, 47, 48, 35, 40, 37, 6, 51, 52, 12, 58, 22, 68, 15, 61, 25, 71, 11, 57, 21, 67, 5, 49, 50, 36, 39, 34, 3, 45, 46, 9, 55, 19, 65, 13, 59, 7, 53, 1, 41, 42, 17, 63, 23, 69]

  • C3H6O3
    Fragment probability: 1.00
    Fragment mass: 103.09630000000001
    Fragment main chain atoms: [2, 8, 14]
    Fragment all atoms: [2, 43, 44, 33, 8, 54, 18, 64, 14, 60, 24, 70]

  • C8H16O8
    Fragment probability: 1.00
    Fragment mass: 317.20630000000006
    Fragment main chain atoms: [2, 8, 14, 10, 4, 35, 40, 37, 6, 12, 15]
    Fragment all atoms: [2, 43, 44, 33, 8, 54, 18, 64, 14, 60, 24, 70, 10, 56, 20, 66, 4, 47, 48, 35, 40, 37, 6, 51, 52, 12, 58, 22, 68, 15, 61, 25, 71]

  • C7H14O7
    Fragment probability: 1.00
    Fragment mass: 398.1941
    Fragment main chain atoms: [3, 34, 39, 36, 5, 11, 15, 12, 6, 37, 40, 35, 4]
    Fragment all atoms: [3, 45, 46, 34, 39, 36, 5, 49, 50, 11, 57, 21, 67, 15, 61, 25, 71, 12, 58, 22, 68, 6, 51, 52, 37, 40, 35, 4, 47, 48]

  • C2H4O2
    Fragment probability: 1.00
    Fragment mass: 184.0841
    Fragment main chain atoms: [3, 34, 39, 36, 5]
    Fragment all atoms: [3, 45, 46, 34, 39, 36, 5, 49, 50]

  • C6H12O6
    Fragment probability: 1.00
    Fragment mass: 274.1618000000001
    Fragment main chain atoms: [3, 34, 39, 36, 5, 11, 15, 12, 6]
    Fragment all atoms: [3, 45, 46, 34, 39, 36, 5, 49, 50, 11, 57, 21, 67, 15, 61, 25, 71, 12, 58, 22, 68, 6, 51, 52, 37]

  • C2H4O2
    Fragment probability: 1.00
    Fragment mass: 73.0704
    Fragment main chain atoms: [3, 9]
    Fragment all atoms: [3, 45, 46, 34, 9, 55, 19, 65]

  • C8H16O8
    Fragment probability: 1.00
    Fragment mass: 411.2127
    Fragment main chain atoms: [3, 34, 39, 36, 5, 11, 15, 12, 6, 37, 40, 35, 4, 10]
    Fragment all atoms: [3, 45, 46, 34, 39, 36, 5, 49, 50, 11, 57, 21, 67, 15, 61, 25, 71, 12, 58, 22, 68, 6, 51, 52, 37, 40, 35, 4, 47, 48, 10, 56, 20, 66]

  • C3H6O3
    Fragment probability: 1.00
    Fragment mass: 197.1027
    Fragment main chain atoms: [3, 34, 39, 36, 5, 11]
    Fragment all atoms: [3, 45, 46, 34, 39, 36, 5, 49, 50, 11, 57, 21, 67]

  • C5H10O4
    Fragment probability: 0.90
    Fragment mass: 103.09630000000001
    Fragment main chain atoms: [3, 9, 13]
    Fragment all atoms: [3, 45, 46, 34, 9, 55, 19, 65, 13, 59, 7, 53, 1, 41, 42, 17, 63, 23, 69]

  • C11H22O10
    Fragment probability: 0.95
    Fragment mass: 441.23859999999996
    Fragment main chain atoms: [3, 34, 39, 36, 5, 11, 15, 12, 6, 37, 40, 35, 4, 10, 14]
    Fragment all atoms: [3, 45, 46, 34, 39, 36, 5, 49, 50, 11, 57, 21, 67, 15, 61, 25, 71, 12, 58, 22, 68, 6, 51, 52, 37, 40, 35, 4, 47, 48, 10, 56, 20, 66, 14, 60, 8, 54, 2, 43, 44, 18, 64, 24, 70]

  • C6H12O5
    Fragment probability: 0.92
    Fragment mass: 227.12860000000003
    Fragment main chain atoms: [3, 34, 39, 36, 5, 11, 15]
    Fragment all atoms: [3, 45, 46, 34, 39, 36, 5, 49, 50, 11, 57, 21, 67, 15, 61, 12, 58, 6, 51, 52, 22, 68, 25, 71]

  • C6H12O6
    Fragment probability: 1.00
    Fragment mass: 274.1618000000001
    Fragment main chain atoms: [4, 35, 40, 37, 6, 12, 15, 11, 5]
    Fragment all atoms: [4, 47, 48, 35, 40, 37, 6, 51, 52, 12, 58, 22, 68, 15, 61, 25, 71, 11, 57, 21, 67, 5, 49, 50, 36]

  • C8H16O8
    Fragment probability: 1.00
    Fragment mass: 411.2127
    Fragment main chain atoms: [4, 35, 40, 37, 6, 12, 15, 11, 5, 36, 39, 34, 3, 9]
    Fragment all atoms: [4, 47, 48, 35, 40, 37, 6, 51, 52, 12, 58, 22, 68, 15, 61, 25, 71, 11, 57, 21, 67, 5, 49, 50, 36, 39, 34, 3, 45, 46, 9, 55, 19, 65]

  • C11H22O10
    Fragment probability: 0.95
    Fragment mass: 441.23859999999996
    Fragment main chain atoms: [4, 35, 40, 37, 6, 12, 15, 11, 5, 36, 39, 34, 3, 9, 13]
    Fragment all atoms: [4, 47, 48, 35, 40, 37, 6, 51, 52, 12, 58, 22, 68, 15, 61, 25, 71, 11, 57, 21, 67, 5, 49, 50, 36, 39, 34, 3, 45, 46, 9, 55, 19, 65, 13, 59, 7, 53, 1, 41, 42, 17, 63, 23, 69]

  • C5H10O4
    Fragment probability: 0.90
    Fragment mass: 103.09630000000001
    Fragment main chain atoms: [4, 10, 14]
    Fragment all atoms: [4, 47, 48, 35, 10, 56, 20, 66, 14, 60, 8, 54, 2, 43, 44, 18, 64, 24, 70]

  • C5H10O5
    Fragment probability: 1.00
    Fragment mass: 150.12950000000004
    Fragment main chain atoms: [5, 11, 15, 12, 6]
    Fragment all atoms: [5, 49, 50, 36, 11, 57, 21, 67, 15, 61, 25, 71, 12, 58, 22, 68, 6, 51, 52, 37]

  • C3H6O3
    Fragment probability: 1.00
    Fragment mass: 197.1027
    Fragment main chain atoms: [5, 36, 39, 34, 3, 9]
    Fragment all atoms: [5, 49, 50, 36, 39, 34, 3, 45, 46, 9, 55, 19, 65]

  • C7H14O7
    Fragment probability: 1.00
    Fragment mass: 287.1804000000001
    Fragment main chain atoms: [5, 11, 15, 12, 6, 37, 40, 35, 4, 10]
    Fragment all atoms: [5, 49, 50, 36, 11, 57, 21, 67, 15, 61, 25, 71, 12, 58, 22, 68, 6, 51, 52, 37, 40, 35, 4, 47, 48, 10, 56, 20, 66]

  • C2H4O2
    Fragment probability: 1.00
    Fragment mass: 73.0704
    Fragment main chain atoms: [5, 11]
    Fragment all atoms: [5, 49, 50, 36, 11, 57, 21, 67]

  • C6H12O5
    Fragment probability: 0.92
    Fragment mass: 227.12860000000003
    Fragment main chain atoms: [5, 36, 39, 34, 3, 9, 13]
    Fragment all atoms: [5, 49, 50, 36, 39, 34, 3, 45, 46, 9, 55, 19, 65, 13, 59, 7, 53, 1, 41, 42, 17, 63, 23, 69]

  • C10H20O9
    Fragment probability: 0.95
    Fragment mass: 317.20630000000006
    Fragment main chain atoms: [5, 11, 15, 12, 6, 37, 40, 35, 4, 10, 14]
    Fragment all atoms: [5, 49, 50, 36, 11, 57, 21, 67, 15, 61, 25, 71, 12, 58, 22, 68, 6, 51, 52, 37, 40, 35, 4, 47, 48, 10, 56, 20, 66, 14, 60, 8, 54, 2, 43, 44, 18, 64, 24, 70]

  • C5H10O4
    Fragment probability: 0.90
    Fragment mass: 103.09630000000001
    Fragment main chain atoms: [5, 11, 15]
    Fragment all atoms: [5, 49, 50, 36, 11, 57, 21, 67, 15, 61, 12, 58, 6, 51, 52, 22, 68, 25, 71]

  • C7H14O7
    Fragment probability: 1.00
    Fragment mass: 287.1804000000001
    Fragment main chain atoms: [6, 12, 15, 11, 5, 36, 39, 34, 3, 9]
    Fragment all atoms: [6, 51, 52, 37, 12, 58, 22, 68, 15, 61, 25, 71, 11, 57, 21, 67, 5, 49, 50, 36, 39, 34, 3, 45, 46, 9, 55, 19, 65]

  • C10H20O9
    Fragment probability: 0.95
    Fragment mass: 317.20630000000006
    Fragment main chain atoms: [6, 12, 15, 11, 5, 36, 39, 34, 3, 9, 13]
    Fragment all atoms: [6, 51, 52, 37, 12, 58, 22, 68, 15, 61, 25, 71, 11, 57, 21, 67, 5, 49, 50, 36, 39, 34, 3, 45, 46, 9, 55, 19, 65, 13, 59, 7, 53, 1, 41, 42, 17, 63, 23, 69]

  • C6H12O5
    Fragment probability: 0.92
    Fragment mass: 227.12860000000003
    Fragment main chain atoms: [6, 37, 40, 35, 4, 10, 14]
    Fragment all atoms: [6, 51, 52, 37, 40, 35, 4, 47, 48, 10, 56, 20, 66, 14, 60, 8, 54, 2, 43, 44, 18, 64, 24, 70]

  • C9H18O9
    Fragment probability: 1.00
    Fragment mass: 424.2312999999999
    Fragment main chain atoms: [9, 3, 34, 39, 36, 5, 11, 15, 12, 6, 37, 40, 35, 4, 10]
    Fragment all atoms: [9, 55, 19, 65, 3, 45, 46, 34, 39, 36, 5, 49, 50, 11, 57, 21, 67, 15, 61, 25, 71, 12, 58, 22, 68, 6, 51, 52, 37, 40, 35, 4, 47, 48, 10, 56, 20, 66]

  • C4H8O4
    Fragment probability: 1.00
    Fragment mass: 210.1213
    Fragment main chain atoms: [9, 3, 34, 39, 36, 5, 11]
    Fragment all atoms: [9, 55, 19, 65, 3, 45, 46, 34, 39, 36, 5, 49, 50, 11, 57, 21, 67]

  • C12H24O11
    Fragment probability: 0.96
    Fragment mass: 454.2571999999999
    Fragment main chain atoms: [9, 3, 34, 39, 36, 5, 11, 15, 12, 6, 37, 40, 35, 4, 10, 14]
    Fragment all atoms: [9, 55, 19, 65, 3, 45, 46, 34, 39, 36, 5, 49, 50, 11, 57, 21, 67, 15, 61, 25, 71, 12, 58, 22, 68, 6, 51, 52, 37, 40, 35, 4, 47, 48, 10, 56, 20, 66, 14, 60, 8, 54, 2, 43, 44, 18, 64, 24, 70]

  • C7H14O6
    Fragment probability: 0.93
    Fragment mass: 240.14720000000003
    Fragment main chain atoms: [9, 3, 34, 39, 36, 5, 11, 15]
    Fragment all atoms: [9, 55, 19, 65, 3, 45, 46, 34, 39, 36, 5, 49, 50, 11, 57, 21, 67, 15, 61, 12, 58, 6, 51, 52, 22, 68, 25, 71]

  • C12H24O11
    Fragment probability: 0.96
    Fragment mass: 454.2571999999999
    Fragment main chain atoms: [10, 4, 35, 40, 37, 6, 12, 15, 11, 5, 36, 39, 34, 3, 9, 13]
    Fragment all atoms: [10, 56, 20, 66, 4, 47, 48, 35, 40, 37, 6, 51, 52, 12, 58, 22, 68, 15, 61, 25, 71, 11, 57, 21, 67, 5, 49, 50, 36, 39, 34, 3, 45, 46, 9, 55, 19, 65, 13, 59, 7, 53, 1, 41, 42, 17, 63, 23, 69]

  • C5H10O5
    Fragment probability: 1.00
    Fragment mass: 240.14720000000003
    Fragment main chain atoms: [10, 4, 35, 40, 37, 6, 12, 15]
    Fragment all atoms: [10, 56, 20, 66, 4, 47, 48, 35, 40, 37, 6, 51, 52, 12, 58, 22, 68, 15, 61, 25, 71]

  • C7H14O6
    Fragment probability: 0.93
    Fragment mass: 240.14720000000003
    Fragment main chain atoms: [11, 5, 36, 39, 34, 3, 9, 13]
    Fragment all atoms: [11, 57, 21, 67, 5, 49, 50, 36, 39, 34, 3, 45, 46, 9, 55, 19, 65, 13, 59, 7, 53, 1, 41, 42, 17, 63, 23, 69]

  • C7H14O6
    Fragment probability: 0.93
    Fragment mass: 240.14720000000003
    Fragment main chain atoms: [12, 6, 37, 40, 35, 4, 10, 14]
    Fragment all atoms: [12, 58, 22, 68, 6, 51, 52, 37, 40, 35, 4, 47, 48, 10, 56, 20, 66, 14, 60, 8, 54, 2, 43, 44, 18, 64, 24, 70]

  • C15H30O13
    Fragment probability: 0.93
    Fragment mass: 484.2830999999999
    Fragment main chain atoms: [13, 9, 3, 34, 39, 36, 5, 11, 15, 12, 6, 37, 40, 35, 4, 10, 14]
    Fragment all atoms: [13, 59, 7, 53, 1, 41, 42, 17, 63, 23, 69, 9, 55, 19, 65, 3, 45, 46, 34, 39, 36, 5, 49, 50, 11, 57, 21, 67, 15, 61, 25, 71, 12, 58, 22, 68, 6, 51, 52, 37, 40, 35, 4, 47, 48, 10, 56, 20, 66, 14, 60, 8, 54, 2, 43, 44, 18, 64, 24, 70]

  • C10H20O8
    Fragment probability: 0.90
    Fragment mass: 270.17310000000003
    Fragment main chain atoms: [13, 9, 3, 34, 39, 36, 5, 11, 15]
    Fragment all atoms: [13, 59, 7, 53, 1, 41, 42, 17, 63, 23, 69, 9, 55, 19, 65, 3, 45, 46, 34, 39, 36, 5, 49, 50, 11, 57, 21, 67, 15, 61, 12, 58, 6, 51, 52, 22, 68, 25, 71]

  • C8H16O7
    Fragment probability: 0.94
    Fragment mass: 270.17310000000003
    Fragment main chain atoms: [14, 10, 4, 35, 40, 37, 6, 12, 15]
    Fragment all atoms: [14, 60, 8, 54, 2, 43, 44, 18, 64, 24, 70, 10, 56, 20, 66, 4, 47, 48, 35, 40, 37, 6, 51, 52, 12, 58, 22, 68, 15, 61, 25, 71]


Most similar ligands:

Ligand Expo IDPDB protein complex ID
FQ86H4F
6HNQ
6H4M
DX52FLI
4KXW
4KXV
A5P2A2I
3UND
2NWS
2CXP
1FWW
3UPB
1LRQ
1FXQ
2NX3
2EF9
5UQI
2NXG
1FY6
3TMQ
1UJ6
1T8X
LXP1Q6Q
OR5
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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

Disclaimer:

  • The custom source code, developed using Python3 in the Linux environment. This work is copyrighted under the terms of GPL, and the results are released under CC0 1.0 Universal of the Open Science Framework. The web-service and the source codes are provided on an “as is” basis without warranty of any kind, either expressed or implied. Any usage of the web-server, or modification and application of the source codes are free for academic use when CTPIC publications are cited.
  • The NetwrokX library is used in the CTPIC source codes.
  • The Open Babel software package is used in the CTPIC source codes.

Contact:

For any question or concern please contact Hesam Dashti (hdashti@bwh.harvard.edu).