2,3-Diphospho-D-glyceric Acid (C3H8O10P2)
BMRB entry bmse000934
Entry DOI: doi:10.13018/BMSE000934
Data source: National Magnetic Facility at Madison - Francisca Jofre, Mark E. Anderson, John L. Markley
NMR-STAR file:
bmse000934.strNMR-STAR
interactive viewerStructure file (mol/sdf):
bmse000934.molAll files for
bmse000934Time Domain Data:
bmse000934.zipSample and instrument details are given with the spectrum
Assigned chemical shifts
Set 1
Sample:
Conditions:
Spectrometer:
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | C6 | 77.570 | 1 |
| C2 | C6 | 77.533 | 1 |
| C2 | C6 | 77.492 | 1 |
| C2 | C6 | 77.455 | 1 |
| C3 | C7 | 181.508 | 1 |
| C3 | C7 | 181.467 | 1 |
| C1 | C8 | 69.114 | 1 |
| C1 | C8 | 69.084 | 1 |
| C1 | C8 | 69.052 | 1 |
| H18 | H18 | 4.470 | 1 |
| H16 | H19 | 3.974 | 1 |
| H17 | H20 | 3.974 | 1 |
NMR experiments
1: 1D 1H
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz
2: 2D [1H,1H]-TOCSY
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz
![Spectrum for experiment #2: 2D [1H,1H]-TOCSY](/ftp/pub/bmrb/metabolomics/entry_directories/bmse000934/nmr/set01/spectra/HH_TOCSY/00.png)
3: 1D DEPT90
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz
4: 1D DEPT135
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz
5: 2D [1H,13C]-HSQC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz
![Spectrum for experiment #5: 2D [1H,13C]-HSQC](/ftp/pub/bmrb/metabolomics/entry_directories/bmse000934/nmr/set01/spectra/1H_13C_HSQC/00.png)
6: 2D [1H,13C]-HMBC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz
![Spectrum for experiment #6: 2D [1H,13C]-HMBC](/ftp/pub/bmrb/metabolomics/entry_directories/bmse000934/nmr/set01/spectra/1H_13C_HMBC/00.png)
7: 2D [1H,1H]-COSY
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz
![Spectrum for experiment #7: 2D [1H,1H]-COSY](/ftp/pub/bmrb/metabolomics/entry_directories/bmse000934/nmr/set01/spectra/HH_COSY/00.png)
8: 2D [1H,13C]-HMQC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz
![Spectrum for experiment #8: 2D [1H,13C]-HMQC](/ftp/pub/bmrb/metabolomics/entry_directories/bmse000934/nmr/set01/spectra/1H_13C_HMQC/00.png)