D-Galacturonic Acid (C6H10O7)
BMRB entry bmse000216
Entry DOI: doi:10.13018/BMSE000216
Data source: Madison Metabolomics Consortium - Qiu Cui, Ian Lewis, Gareth Westler, Mark E. Anderson, John L. Markley
NMR-STAR file:
bmse000216.strNMR-STAR
interactive viewerStructure file (mol/sdf):
bmse000216.molAll files for
bmse000216Time Domain Data:
bmse000216.zipSample and instrument details are given with the spectrum
Assigned chemical shifts
Set 1
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C4 | C1 | 78.217 | 6 |
| C2 | C2 | 73.515 | 6 |
| C5 | C4 | 178.734 | 6 |
| C1 | C5 | 75.591 | 6 |
| C6 | C7 | 98.697 | 6 |
| C3 | C10 | 74.272 | 6 |
| H17 | H14 | 4.396 | 6 |
| H15 | H15 | 4.266 | 6 |
| H14 | H16 | 3.903 | 6 |
| H18 | H18 | 5.285 | 6 |
| H16 | H20 | 3.809 | 6 |
NMR experiments
1: 1D 1H
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
2: 2D [1H,1H]-TOCSY
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
![Spectrum for experiment #2: 2D [1H,1H]-TOCSY](/ftp/pub/bmrb/metabolomics/entry_directories/bmse000216/nmr/set01/spectra/HH_TOCSY.png)
3: 1D 13C
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
4: 1D DEPT90
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
5: 1D DEPT135
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
6: 2D [1H,13C]-HSQC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
![Spectrum for experiment #6: 2D [1H,13C]-HSQC](/ftp/pub/bmrb/metabolomics/entry_directories/bmse000216/nmr/set01/spectra/1H_13C_HSQC.png)