Complex Carbohydrate Magnetic Resonance Database (CCMRD)
A solid-state NMR database for complex carbohydrates developed at Michigan State University. Solid-state NMR spectroscopy reveals the molecular structure and 3D dynamics of insoluble complex carbohydrates and cell wall polymers.
669 Compound Entries
Solid-State NMR Shifts
SNFG Structure Notation
| Database ID | Trivial Name | Linear Code | Compound Class | Taxonomy Domain | Species | Residue | SNFG Diagram | Chemical Structure | Chemical Shifts (ppm) | Spectrometer (MHz) | Temp (K) | pH | Reference Compound | Sample Treatment | Reference & Publication |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| ccmrd_446 | teichoic acid | GlcpNAcMurpNAcManpNAcRibitolAATGalp | Peptidoglycan | bacteria | Streptococcus pneumoniae | a-?-GalpNAc | SNFG N/A |
|
C1: 94.1, C2: 50.2, C3: 67.6, C4: 77.3, C5: 71.3, C6: 64.3, C7: 175.4, C8: 23.0 | 400 and 600 | 285.0 | - | ND | Being resuspended in HEPES buffer pH 7.5 |
Thomas Kern et al. (2010)
Dynamics Characterization of Fully Hydrated Bacterial Cell Walls by Solid-State NMR: Evidence for Cooperative Binding of Metal Ions Journal of the American Chemical Society |
| ccmrd_447 | teichoic acid | GlcpNAcMurpNAcManpNAcRibitolAATGalp | Peptidoglycan | bacteria | Streptococcus pneumoniae | b-?-Glcp | SNFG N/A |
|
C1: 104.8, C2: 73.6, C3: 76.3, C4: 69.6, C5: 75.1, C6: 64.9 | 400 and 600 | 285.0 | - | ND | Being resuspended in HEPES buffer pH 7.5 |
Thomas Kern et al. (2010)
Dynamics Characterization of Fully Hydrated Bacterial Cell Walls by Solid-State NMR: Evidence for Cooperative Binding of Metal Ions Journal of the American Chemical Society |
| ccmrd_448 | teichoic acid | GlcpNAcMurpNAcManpNAcRibitolAATGalp | Peptidoglycan | bacteria | Streptococcus pneumoniae | ?-?-AAt-Galp | SNFG N/A |
|
C1: 98.9, C2: 49.0, C3: 75.8, C4: 55.5, C5: 64.1, C6: 16.3 | 400 and 600 | 285.0 | - | ND | Being resuspended in HEPES buffer pH 7.5 |
Thomas Kern et al. (2010)
Dynamics Characterization of Fully Hydrated Bacterial Cell Walls by Solid-State NMR: Evidence for Cooperative Binding of Metal Ions Journal of the American Chemical Society |
| ccmrd_449 | Rhamnogalacturonan I | (1-4)αDGalpA(1-2)αLRhap | Polysaccharide | plant | Arabidopsis thaliana | a-L-Rhap | SNFG N/A |
|
H5: 3.9, H6: 1.3 | 400, 600, and 800 | 298.0 | - | TMS | Removing lipid membranes, cytoplasmic proteins, small molecules, and starch. And being back-exchanged in D2O to reduce the water 1H signal intensities. |
Pyae Phyo and Mei Hong et al. (2019)
Fast MAS 1H-13C correlation NMR for structural investigations of plant cell walls Journal of Biomolecular NMR |
| ccmrd_450 | Rhamnogalacturonan I | (1-4)αDGalpA(1-2)αLRhap | Polysaccharide | plant | Arabidopsis thaliana | a-L-Rhap | SNFG N/A |
|
H1: 5.1, H2: 4.3, H4: 3.6, H5: 4.0, H6: 1.2 | 400, 600, and 800 | 298.0 | - | TMS | Removing lipid membranes, cytoplasmic proteins, small molecules, and starch. And being back-exchanged in D2O to reduce the water 1H signal intensities. |
Pyae Phyo and Mei Hong et al. (2019)
Fast MAS 1H-13C correlation NMR for structural investigations of plant cell walls Journal of Biomolecular NMR |
| ccmrd_451 | Rhamnogalacturonan I | (1-4)αDGalpA(1-2)αLRhap | Polysaccharide | plant | Arabidopsis thaliana | a-L-Rhap | SNFG N/A |
|
H1: 5.1, H2: 4.4, H4: 3.6, H5: 4.0, H6: 1.2 | 400, 600, and 800 | 298.0 | - | TMS | Removing lipid membranes, cytoplasmic proteins, small molecules, and starch. And being back-exchanged in D2O to reduce the water 1H signal intensities. |
Pyae Phyo and Mei Hong et al. (2019)
Fast MAS 1H-13C correlation NMR for structural investigations of plant cell walls Journal of Biomolecular NMR |
| ccmrd_452 | cellulose | Glcp | Polysaccharide | plant | Picea abies (Norway spruce) | b-D-Glcp |
|
|
C1: 104.3, C4: 88.3, C5: 71.7, C6: 66.0 | 850 | 298.0 | - | TMS | frozen in liquid nitrogen and ground to produce a fine powder |
Oliver M. Terrett et al. (2019)
Molecular architecture of softwood revealed by solid-state NMR Nature Communications |
| ccmrd_453 | cellulose II oligomer crystals | Glcp | oligosachaaride | other | cellulose II oligomer crystals | ?-?-Glcp | SNFG N/A |
|
C1: 92.7, C2: 73.0, C3: 75.4, C4: 88.3, C5: 75.4, C6: 63.2 | 700 | 298.0 | - | TMS | reducing ends |
Yusuke Kita . Ryosuke Kusumi . Tsunehisa Kimura . Motomitsu Kitaoka . Yusuke Nishiyama . Masahisa Wada et al. (2020)
Surface structural analysis of selectively 13C-labeled cellulose II by solid-state NMR spectroscopy Cellulose |
| ccmrd_454 | cellulose II oligomer crystals | Glcp | oligosachaaride | other | cellulose II oligomer crystals | ?-?-Glcp | SNFG N/A |
|
C1: 96.5, C2: 76.1, C3: 77.2, C4: 88.7, C5: 73.5, C6: 64.3 | 700 | 298.0 | - | TMS | reducing ends |
Yusuke Kita . Ryosuke Kusumi . Tsunehisa Kimura . Motomitsu Kitaoka . Yusuke Nishiyama . Masahisa Wada et al. (2020)
Surface structural analysis of selectively 13C-labeled cellulose II by solid-state NMR spectroscopy Cellulose |
| ccmrd_455 | Chitin | GlcpNAc | Polysaccharide | fungi | Aspergillus fumigatus | ?-D-GlcpNAc | SNFG N/A |
|
C1: 104.3, C2: 55.7, C3: 73.2, C4: 83.9, C5: 75.2, C6: 60.7, C7: 173.9, C8: 23.3 | 800/850 | 298.0 | - | TMS | whole cell, cultured with 0.5M NaCl |