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v 1.1 (Spring 2020)
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Saccharide examples

  1. 1,2,4,5-Tetradeoxy-D-arabino-octa-1,4-dienitol
  2. 1-Methyl hydrogen D-galactarate
  3. L-ribulose
  4. D-altro-Hept-2-ulopyranose
  5. L-gluco-Hept-4-ulose
  6. meso-xylo-Hepto-2,6-diulose
  7. α-D-threo-Hexo-2,4-diulo-2,5-furanose
  8. L-altro-Octo-4,5-diulose
  9. D-arabino-Hexos-3-ulose
  10. Methyl α-L-xylo-hexos-2-ulo-2,5-furanoside
  11. α-L-Fucopyranose
  12. 1-Deoxy-L-glycero-D-altro-oct-2-ulose
  13. 3-Deoxy-D-ribo-hexose
  14. 4-Deoxy-β-D-xylo-hexopyranose
  15. 5-Deoxy-D-arabino-hept-3-ulose
  16. 5-Deoxy-D-arabinitol
  17. D-glucosamine
  18. β-muramic acid
  19. 5-Acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranosonic acid
  20. 2-Acetamido-1,3,4-tri-O-acetyl-2,6-dideoxy-α-L-galactopyranose
  21. 5-Thio-β-D-glucopyranose
  22. Methyl 5-seleno-α-D-fructofuranoside
  23. 1,2,3,4-tetra-O-acetyl-5-bromo-β-L-idopyranuronic acid
  24. 2-C-Phenyl-α-D-glucopyranose
  25. 2-bromo-2-chloro-2-deoxy-α-D-glucopyranose
  26. 1-C-Phenyl-β-D-glucopyranose
  27. (5R)-5-C-Cyclohexyl-5-C-phenyl-D-xylose
  28. 2-Deoxy-2-fluoro-D-glucopyranose
  29. 1,2-Dideoxy-D-arabino-hex-1-enitol
  30. 1,5-Anhydro-2-deoxy-D-arabino-hex-1-enitol
  31. 2-Deoxy-D-threo-pent-1-enose dimethyl acetal
  32. 5-Deoxy-1,2-O-isopropylidene-β-L-threo-pent-4-enofuranose
  33. 2-Deoxy-1-O-methyl-D-threo-pent-1-ynitol
  34. 5,6,8-Trideoxy-1,2-O-isopropylidene-α-D-xylo-oct-5-ynofuranos-7-ulose
  35. 3-C-(Hydroxymethyl)-D-glycero-tetrose
  36. 2-C-(Hydroxymethyl)-D-ribopyranose
  37. 5-Deoxy-3-C-formyl-L-lyxofuranose
  38. 3-C-Methyl-D-glucose
  39. 4-C-(Hydroxymethyl)-D-erythro-pentose
  40. 1-deoxy-L-mannitol
  41. D-glycero-L-galacto-Heptitol
  42. 5-O-Methyl-D-galactitol
  43. 2-Amino-2-deoxy-D-gluconic acid
  44. D-Gluconic acid
  45. 5-Amino-5-deoxy-D-mannono-1,5-lactam
  46. D-Glucono-1,5-lactone
  47. Methyl 3-deoxy-D-threo-pentonate
  48. Penta-O-acetyl-D-gluconoyl chloride
  49. 3-Deoxy-α-D-manno-oct-2-ulopyranosonic acid
  50. β-D-arabino-Hex-2-ulopyranosono-1,5-lactone
  51. D-erythro-Pent-2-ulosonic acid
  52. D-Glucuronic acid
  53. Methyl 4-deoxy-L-threo-hex-4-enopyranuronate
  54. Sodium (methyl α-L-glucofuranosid)uronate
  55. α-D-Mannopyranuronic acid
  56. L-Altraric acid
  57. L-glycero-D-galacto-Heptaric acid
  58. erythraric acid
  59. 4,6-Di-O-methyl-α-D-galactopyranose
  60. Penta-O-acetyl-aldehydo-D-glucose
  61. 6-O-phosphono-D-glucopyranose
  62. 1,6-Anhydro-β-D-glucopyranose
  63. 2,5-Anhydro-D-allononitrile
  64. 1,6-Anhydro-3,4-dideoxy-β-D-glycero-hex-3-enopyranos-2-ulose
  65. (α-D-Galactopyranuronic acid) β-L-rhamnopyranose 1,2':1',2-dianhydride
  66. 1,2-O-Isopropylidene-α-D-glucofuranose
  67. Methyl (6R)-D-gluco-hexodialdo-6,2-pyranoside
  68. Methyl α-D-gulofuranoside
  69. 4-(α-D-Ribofuranosylthio)benzoic acid
  70. Tetra-O-acetyl-α-D-mannopyranosyl bromide
  71. 4-β-D-Glucopyranosylbenzoic acid
  72. Methyl α-D-glucopyranoside
  73. (S)-O-β-D-Glucopyranosylmandelonitrile
  74. 4'a-carbathymidine
  75. (4'aS)-4'a-fluoro-4'a-carbathymidine
  76. 5-Amino-5-deoxy-D-glucopyranose
  77. 5-Deoxy-5-phosphanyl-D-xylopyranose
  78. 5a-Carba-β-D-glucopyranose
  79. α,α-trehalose
  80. nystose
  81. isopanose
  82. Cyclomaltohexaose
  83. raffinose
  84. D-glycero-D-gluco-Heptose
  85. 3,6-Dideoxy-L-threo-L-talo-decose
  86. α-D-gluco-Hexodialdo-1,5-pyranose
  87. 6-Deoxy-β-D-glucopyranose
  88. D-Glucose propane-1,3-diyl dithioacetal
  89. Fucose
  90. Galactose
  91. Glucose
  92. Hydroxycitric acid
  93. L-threo-Hexo-2,5-diulose
  94. Mannose
  95. N acetylehexosamine
  96. N acetyleneuraminic acid
  97. N acetylgalactosamine
  98. N acetylglucosamine
  99. N glycolylneuraminic acid
  100. panose

1,2,4,5-Tetradeoxy-D-arabino-octa-1,4-dienitol

Best fragment probability: 0.88
Formula: C8H14O4
1,2,4,5-Tetradeoxy-D-arabino-octa-1,4-dienitol_

1-Methyl hydrogen D-galactarate

Best fragment probability: 0.93
Formula: C7H12O8
1-Methyl_hydrogen_D-galactarate

L-ribulose

Best fragment probability: 1.00
Formula: C5H10O5
2_10_._D-erythro-Pent-2-ulose_

D-altro-Hept-2-ulopyranose

Best fragment probability: 1.00
Formula: C7H14O7
2_10_4_D-altro-Hept-2-ulopyranose_

L-gluco-Hept-4-ulose

Best fragment probability: 1.00
Formula: C7H14O7
2_10_4_L-gluco-Hept-4-ulose_

meso-xylo-Hepto-2,6-diulose

Best fragment probability: 0.99
Formula: C7H12O7
2_11_1_meso-xylo-Hepto-2,6-diulose_

α-D-threo-Hexo-2,4-diulo-2,5-furanose

Best fragment probability: 1.00
Formula: C6H10O6
2_11_2_A-D-threo-Hexo-2,4-diulo-2,5-furanose_

L-altro-Octo-4,5-diulose

Best fragment probability: 0.99
Formula: C8H14O8
2_11_2_L-altro-Octo-4,5-diulose_

D-arabino-Hexos-3-ulose

Best fragment probability: 0.98
Formula: C6H10O6
2_12_1_D-arabino-Hexos-3-ulose_

Methyl α-L-xylo-hexos-2-ulo-2,5-furanoside

Best fragment probability: 1.00
Formula: C6H10O6
2_12_1_Methyl_A-L-xylo-hexos-2-ulo-2,5-furanoside_

α-L-Fucopyranose

Best fragment probability: 1.00
Formula: C6H12O5
2_13_1_A-L-Fucopyranose_

1-Deoxy-L-glycero-D-altro-oct-2-ulose

Best fragment probability: 0.93
Formula: C7H14O6
2_13_3_1-Deoxy-L-glycero-D-altro-oct-2-ulose_

3-Deoxy-D-ribo-hexose

Best fragment probability: 0.92
Formula: C6H12O5
2_13_3_2-Deoxy-D-ribo-hexose_

4-Deoxy-β-D-xylo-hexopyranose

Best fragment probability: 1.00
Formula: C6H12O5
2_13_3_4-Deoxy-B-D-xylo-hexopyranose_

5-Deoxy-D-arabino-hept-3-ulose

Best fragment probability: 0.93
Formula: C7H14O6
2_13_3_5-Deoxy-D-arabino-hept-3-ulose_

5-Deoxy-D-arabinitol

Best fragment probability: 0.80
Formula: C5H12O4
2_13_4_5-Deoxy-D-arabinitol_

D-glucosamine

Best fragment probability: 1.00
Formula: C6H13N1O5
2_14_2_2-Amino-2-deoxy-D-glucopyranose_

β-muramic acid

Best fragment probability: 1.00
Formula: C9H17N1O7
2_14_2_2-Amino-3-O-R-1-carboxyethyl-2-deoxy-b-D-glucopyranose_

5-Acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranosonic acid

Best fragment probability: 1.00
Formula: C9H17N1O8
2_14_2_5-Acetamido-3,5-dideoxy-D-glycero-a-D-galacto-non-2-ulopyranosonic_acid_

2-Acetamido-1,3,4-tri-O-acetyl-2,6-dideoxy-α-L-galactopyranose

Best fragment probability: 1.00
Formula: C6H13N1O4
2_14_3_2-Acetamido-1,3,4-tri-O-acetyl-2,6-dideoxy-a-L-galactopyranose_

5-Thio-β-D-glucopyranose

Best fragment probability: 1.00
Formula: C6H12O5S1
2_15_5-Thio-b-D-glucopyranose_

Methyl 5-seleno-α-D-fructofuranoside

Best fragment probability: 1.00
Formula: C7H14O5Se1
2_15_Methyl_5-seleno-a-D-fructofuranoside_

1,2,3,4-tetra-O-acetyl-5-bromo-β-L-idopyranuronic acid

Best fragment probability: 1.00
Formula: Br1C6H9O7
2_16_1_1,2,3,4-tetra-O-acetyl-5-bromo-b-L-idopyranuronic_acid_

2-C-Phenyl-α-D-glucopyranose

Best fragment probability: 1.00
Formula: C12H16O6
2_16_1_2-C-Phenyl-a-D-glucopyranose_

2-bromo-2-chloro-2-deoxy-α-D-glucopyranose

Best fragment probability: 1.00
Formula: Br1C6Cl1H10O5
2_16_3_2-bromo-2-chloro-2-deoxy-a-D-glucopyranose_

1-C-Phenyl-β-D-glucopyranose

Best fragment probability: 1.00
Formula: C12H16O6
2_16_4_1-C-Phenyl-b-D-glucopyranose_

(5R)-5-C-Cyclohexyl-5-C-phenyl-D-xylose

Best fragment probability: 0.99
Formula: C11H20O5
2_16_4_5R-5-C-Cyclohexyl-5-C-phenyl-D-xylose_

2-Deoxy-2-fluoro-D-glucopyranose

Best fragment probability: 1.00
Formula: C6F1H11O5
2_16_6_2-Deoxy-2-18F_fluoro-D-glucopyranose_

1,2-Dideoxy-D-arabino-hex-1-enitol

Best fragment probability: 0.90
Formula: C6H12O4
2_17_2_1_2-Dideoxy-D-arabino-hex-1-enitol_

1,5-Anhydro-2-deoxy-D-arabino-hex-1-enitol

Best fragment probability: 1.00
Formula: C6H10O4
2_17_2_1_5-Anhydro-2-deoxy-D-arabino-hex-1-enitol_

2-Deoxy-D-threo-pent-1-enose dimethyl acetal

Best fragment probability: 1.00
Formula: C5H10O5
2_17_2_2-Deoxy-D-threo-pent-1-enose_dimethyl_acetal_

5-Deoxy-1,2-O-isopropylidene-β-L-threo-pent-4-enofuranose

Best fragment probability: 1.00
Formula: C8H12O4
2_17_2_5-Deoxy-1_2-O-isopropylidene-b-L-threo-pent-4-enofuranose_

2-Deoxy-1-O-methyl-D-threo-pent-1-ynitol

Best fragment probability: 0.81
Formula: C6H10O4
2_17_3_2-Deoxy-1-O-methyl-D-threo-pent-1-ynitol_

5,6,8-Trideoxy-1,2-O-isopropylidene-α-D-xylo-oct-5-ynofuranos-7-ulose

Best fragment probability: 1.00
Formula: C9H10O5
2_17_3_5_6_8-Trideoxy-1_2-O-isopropylidene-a-D-xylo-oct-5-ynofuranos-7-ulose_

3-C-(Hydroxymethyl)-D-glycero-tetrose

Best fragment probability: 1.00
Formula: C5H10O5
2_18_1_D-Apiose_

2-C-(Hydroxymethyl)-D-ribopyranose

Best fragment probability: 1.00
Formula: C6H12O6
2_18_1_Hamamelose_

5-Deoxy-3-C-formyl-L-lyxofuranose

Best fragment probability: 1.00
Formula: C6H10O5
2_18_1_Streptose_

3-C-Methyl-D-glucose

Best fragment probability: 0.93
Formula: C7H14O6
2_18_3_3-C-Methyl-D-glucose_

4-C-(Hydroxymethyl)-D-erythro-pentose

Best fragment probability: 1.00
Formula: C6H12O6
2_18_3_4-C-Hydroxymethyl-D-erythro-pentose_

1-deoxy-L-mannitol

Best fragment probability: 0.83
Formula: C6H14O5
2_19_1_1-deoxy-L-mannitol_

D-glycero-L-galacto-Heptitol

Best fragment probability: 0.99
Formula: C7H16O7
2_19_1_D-glycero-L-galacto-Heptitol_

5-O-Methyl-D-galactitol

Best fragment probability: 0.99
Formula: C7H16O6
2_19_2_5-O-Methyl-D-galactitol_

2-Amino-2-deoxy-D-gluconic acid

Best fragment probability: 0.92
Formula: C6H13N1O6
2_20_1_2-Amino-2-deoxy-D-gluconic_acid_

D-Gluconic acid

Best fragment probability: 0.99
Formula: C6H12O7
2_20_1_D-Gluconic_acid_

5-Amino-5-deoxy-D-mannono-1,5-lactam

Best fragment probability: 1.00
Formula: C6H10N1O5
2_20_2_5-Amino-5-deoxy-D-mannono-1_5-lactam_

D-Glucono-1,5-lactone

Best fragment probability: 1.00
Formula: C6H10O6
2_20_2_D-Glucono-1_5-lactone_

Methyl 3-deoxy-D-threo-pentonate

Best fragment probability: 0.99
Formula: C6H12O5
2_20_2_Methyl_3-deoxy-D-threo-pentonate_

Penta-O-acetyl-D-gluconoyl chloride

Best fragment probability: 0.99
Formula: C6H12O7
2_20_2_Penta-O-acetyl-D-gluconoyl_chloride_

3-Deoxy-α-D-manno-oct-2-ulopyranosonic acid

Best fragment probability: 1.00
Formula: C8H14O8
2_21_1_3-Deoxy-a-D-manno-oct-2-ulopyranosonic_acid_

β-D-arabino-Hex-2-ulopyranosono-1,5-lactone

Best fragment probability: 1.00
Formula: C6H8O6
2_21_2_b-D-arabino-Hex-2-ulopyranosono-1_5-lactone_

D-erythro-Pent-2-ulosonic acid

Best fragment probability: 0.99
Formula: C5H8O6
2_21_D-erythro-Pent-2-ulosonic_acid_

D-Glucuronic acid

Best fragment probability: 0.91
Formula: C6H10O7
2_22_2_D-Glucuronic_acid_

Methyl 4-deoxy-L-threo-hex-4-enopyranuronate

Best fragment probability: 1.00
Formula: C7H10O6
2_22_2_Methyl_4-deoxy-L-threo-hex-4-enopyranuronate_

Sodium (methyl α-L-glucofuranosid)uronate

Best fragment probability: 1.00
Formula: C7H8Na1O7
2_22_2_Sodium_methyl_a-L-glucofuranosid_uronate_

α-D-Mannopyranuronic acid

Best fragment probability: 1.00
Formula: C6H10O7
2_22_2_a-D-Mannopyranuronic_acid_

L-Altraric acid

Best fragment probability: 0.91
Formula: C6H10O8
2_23_1_L-Altraric_acid_

L-glycero-D-galacto-Heptaric acid

Best fragment probability: 0.92
Formula: C7H12O9
2_23_1_L-glycero-D-galacto-Heptaric_acid_

erythraric acid

Best fragment probability: 0.90
Formula: C4O6
2_23_3_erythraric_acid_

4,6-Di-O-methyl-α-D-galactopyranose

Best fragment probability: 1.00
Formula: C8H16O6
2_24_1_4_6-Di-O-methyl-a-D-galactopyranose_

Penta-O-acetyl-aldehydo-D-glucose

Best fragment probability: 1.00
Formula: C6H12O6
2_24_1_Penta-O-acetyl-aldehydo-D-glucose_

6-O-phosphono-D-glucopyranose

Best fragment probability: 1.00
Formula: C7O9P1
2_24_2_6-O-phosphono-D-glucopyranose_

1,6-Anhydro-β-D-glucopyranose

Best fragment probability: 1.00
Formula: C6H10O5
2_26_1_6-Anhydro-b-D-glucopyranose_

2,5-Anhydro-D-allononitrile

Best fragment probability: 1.00
Formula: C6H9N1O4
2_26_2_5-Anhydro-D-allononitrile_

1,6-Anhydro-3,4-dideoxy-β-D-glycero-hex-3-enopyranos-2-ulose

Best fragment probability: 1.00
Formula: C6H8O3
2_26_levoglucosenone_

(α-D-Galactopyranuronic acid) β-L-rhamnopyranose 1,2':1',2-dianhydride

Best fragment probability: 1.00
Formula: C12H18O10
2_27_a-D-Galactopyranuronic_acid_

1,2-O-Isopropylidene-α-D-glucofuranose

Best fragment probability: 1.00
Formula: C9H16O6
2_28_1_2-O-Isopropylidene-a-D-glucofuranose_

Methyl (6R)-D-gluco-hexodialdo-6,2-pyranoside

Best fragment probability: 1.00
Formula: C7H12O6
2_32_2_Methyl_6R-D-gluco-hexodialdo-6_2-pyranoside_

Methyl α-D-gulofuranoside

Best fragment probability: 1.00
Formula: C7H14O6
2_33_2_Methyl_a-D-gulofuranoside_

4-(α-D-Ribofuranosylthio)benzoic acid

Best fragment probability: 1.00
Formula: C12H14O6S1
2_33_3_4-a-D-Ribofuranosylthio_benzoic_acid_

Tetra-O-acetyl-α-D-mannopyranosyl bromide

Best fragment probability: 1.00
Formula: Br1C6H11O5
2_33_5_Tetra-O-acetyl-a-D-mannopyranosyl_bromide_

4-β-D-Glucopyranosylbenzoic acid

Best fragment probability: 1.00
Formula: C13H16O7
2_33_7_4-b-D-Glucopyranosylbenzoic_acid_

Methyl α-D-glucopyranoside

Best fragment probability: 1.00
Formula: C7H14O6
2_33_Methyl_a-D-glucopyranoside_

(S)-O-β-D-Glucopyranosylmandelonitrile

Best fragment probability: 1.00
Formula: C14H17N1O6
2_33_sambunigrin_

4'a-carbathymidine

Best fragment probability: 1.00
Formula: C11H16N2O4
2_34_4a-carbathymidine_

(4'aS)-4'a-fluoro-4'a-carbathymidine

Best fragment probability: 1.00
Formula: C11F1H15N2O4
2_34_4aS-4a-fluoro-4a-carbathymidine_

5-Amino-5-deoxy-D-glucopyranose

Best fragment probability: 1.00
Formula: C6H13N1O5
2_34_5-Amino-5-deoxy-D-glucopyranose_

5-Deoxy-5-phosphanyl-D-xylopyranose

Best fragment probability: 1.00
Formula: C6H13O4P1
2_34_5-Deoxy-5-phosphanyl-D-xylopyranose_

5a-Carba-β-D-glucopyranose

Best fragment probability: 1.00
Formula: C7H14O5
2_34_5a-Carba-b-D-glucopyranose_

α,α-trehalose

Best fragment probability: 1.00
Formula: C12H22O11
2_36_2_a_a-trehalose_

nystose

Best fragment probability: 1.00
Formula: C24H42O21
2_37_1_nystose_

isopanose

Best fragment probability: 1.00
Formula: C18H32O16
2_37_3_isopanose_

Cyclomaltohexaose

Best fragment probability: 1.00
Formula: C36H60O30
2_37_Cyclomaltohexaose

raffinose

Best fragment probability: 1.00
Formula: C18H32O16
2_37_raffinose_

D-glycero-D-gluco-Heptose

Best fragment probability: 1.00
Formula: C7H14O7
2_8_3_D-glycero-D-gluco-Heptose_

3,6-Dideoxy-L-threo-L-talo-decose

Best fragment probability: 0.89
Formula: C9H18O7
2_8_4_3.6-Dideoxy-L-threo-L-talo-decose_

α-D-gluco-Hexodialdo-1,5-pyranose

Best fragment probability: 1.00
Formula: C6H10O6
2_9_._A-D-gluco-Hexodialdo-1_5-pyranose_

6-Deoxy-β-D-glucopyranose

Best fragment probability: 1.00
Formula: C5H10O6
6-Deoxy-b-D-glucopyranose

D-Glucose propane-1,3-diyl dithioacetal

Best fragment probability: 0.98
Formula: C9H18O5S2
D-Glucose_propane-1_3-diyl_dithioacetal

Fucose

Best fragment probability: 1.00
Formula: C6H12O5
Fucose

Galactose

Best fragment probability: 1.00
Formula: C6H12O6
Galactose

Glucose

Best fragment probability: 1.00
Formula: C6H12O6
Glucose

Hydroxycitric acid

Best fragment probability: 0.96
Formula: C6H8O8
Hydroxycitric_acid_

L-threo-Hexo-2,5-diulose

Best fragment probability: 0.98
Formula: C6H10O6
L-threo-Hexo-2_5-diulose

Mannose

Best fragment probability: 1.00
Formula: C6H12O6
Mannose

N acetylehexosamine

Best fragment probability: 1.00
Formula: C8H15N1O6
N_acetylehexosamine

N acetyleneuraminic acid

Best fragment probability: 1.00
Formula: C11H19N1O9
N_acetyleneuraminic_acid

N acetylgalactosamine

Best fragment probability: 1.00
Formula: C8H15N1O6
N_acetylgalactosamine

N acetylglucosamine

Best fragment probability: 1.00
Formula: C8H15N1O6
N_acetylglucosamine

N glycolylneuraminic acid

Best fragment probability: 1.00
Formula: C11H19N1O10
N_glycolylneuraminic_acid

panose

Best fragment probability: 1.00
Formula: C18H32O16
panose

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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

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  • 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).