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_628 | Arabinan | Araf | Polysaccharide | plant | Arabidopsis thaliana | ?-?-Araf | SNFG N/A |
|
C1: 109.0, C2: 88.8 | 400 | 298.0 | - | TMS | whole cell (tsd2 mutant) |
Alex Kirui et al. (2021)
A pectin methyltransferase modulates polysaccharide dynamics and interactions in Arabidopsis primary cell walls: Evidence from solid-state NMR Carbohydrate Polymers |
| ccmrd_629 | Arabinan | Araf | Polysaccharide | plant | Arabidopsis thaliana | ?-?-Araf | SNFG N/A |
|
C1: 110.6, C3: 78.9 | 400 | 298.0 | - | TMS | whole cell (tsd2 mutant) |
Alex Kirui et al. (2021)
A pectin methyltransferase modulates polysaccharide dynamics and interactions in Arabidopsis primary cell walls: Evidence from solid-state NMR Carbohydrate Polymers |
| ccmrd_630 | N-acetylglucosamine | GlcpNAc | peptidoglycan | bacteria | Bacillus subtilis | ?-?-GlcpNAc | SNFG N/A |
|
C1: 101.0, C2: 56.0, C3: 73.1, C4: 80.4, C5: 75.7, C6: 60.7, C8: 23.0, H1: 4.5, H2: 3.7, H3: 3.6, H4: 3.6, H5: 3.4, H6: 3.7, H7: 8.4, H8: 2.0, N1: 123.6 | 950 | 303.0 | - | TMS | Extracting intact well-hydrated peptidoglycan sacculi |
Catherine Bougault et al. (2019)
Studying intact bacterial peptidoglycan by proton-detected NMR spectroscopy at 100 kHz MAS frequency Journal of Structural Biology |
| ccmrd_631 | N-acetylglucosamine | GlcpNAc | peptidoglycan | bacteria | Bacillus subtilis | ?-?-GlcpNAc | SNFG N/A |
|
H1: 4.5, H2: 3.7, H3: 3.6, H4: 3.6, H5: 3.4, H6: 3.8, H7: 8.4, H8: 2.0 | 950 | 303.0 | - | TMS | Extracting intact well-hydrated peptidoglycan sacculi |
Catherine Bougault et al. (2019)
Studying intact bacterial peptidoglycan by proton-detected NMR spectroscopy at 100 kHz MAS frequency Journal of Structural Biology |
| ccmrd_632 | N-acetylmuramic acid | MurpNAc | peptidoglycan | bacteria | Bacillus subtilis | ?-?-MurpNAc | SNFG N/A |
|
C1: 103.6, C2: 56.4, C3: 80.6, C4: 73.7, C5: 76.0, C6: 78.6, C7: 61.1, C9: 18.4, C11: 23.1, H1: 4.4, H2: 3.7, H3: 3.5, H4: 3.3, H5: 3.8, H6: 3.7, H7: 4.4, H9: 1.3, H11: 1.9, H12: 7.8, N1: 122.6 | 950 | 303.0 | - | TMS | Extracting intact well-hydrated peptidoglycan sacculi |
Catherine Bougault et al. (2019)
Studying intact bacterial peptidoglycan by proton-detected NMR spectroscopy at 100 kHz MAS frequency Journal of Structural Biology |
| ccmrd_633 | N-acetylmuramic acid | MurpNAc | peptidoglycan | bacteria | Bacillus subtilis | ?-?-MurpNAc | SNFG N/A |
|
H1: 4.4, H2: 3.7, H3: 3.5, H4: 3.3, H5: 3.8, H6: 3.8, H7: 4.4, H9: 1.3, H11: 1.9, H12: 7.8 | 950 | 303.0 | - | TMS | Extracting intact well-hydrated peptidoglycan sacculi |
Catherine Bougault et al. (2019)
Studying intact bacterial peptidoglycan by proton-detected NMR spectroscopy at 100 kHz MAS frequency Journal of Structural Biology |
| ccmrd_634 | Arabinan | Araf | Polysaccharide | plant | Arabidopsis thaliana | ?-?-Araf | SNFG N/A |
|
C1: 107.1, C2: 87.7, H1: 5.1, H2: 4.1 | 800/600/400 | 298.0 | - | TMS | primary cell walls extraction |
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_635 | Arabinan | Araf | Polysaccharide | plant | Arabidopsis thaliana | ?-?-Araf | SNFG N/A |
|
C1: 107.0, C2: 85.8, H1: 5.2, H2: 4.3 | 800/600/400 | 298.0 | - | TMS | primary cell walls extraction |
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_636 | Arabinan | Araf | Polysaccharide | plant | Arabidopsis thaliana | ?-?-Araf | SNFG N/A |
|
C1: 108.2, C2: 81.8, C3: 77.7, C4: 83.1, C5: 67.6, H1: 5.0, H2: 4.1, H3: 4.0, H4: 4.2, H5: 3.8 | 800/600/400 | 298.0 | - | TMS | primary cell walls extraction |
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_637 | Arabinan | Araf | Polysaccharide | plant | Arabidopsis thaliana | ?-?-Araf | SNFG N/A |
|
C1: 107.7, C2: 82.3, C3: 77.4, C4: 84.5, C5: 62.0, H1: 5.1, H2: 4.1, H3: 3.9, H4: 4.0, H5: 3.7 | 800/600/400 | 298.0 | - | TMS | primary cell walls extraction |
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 |