Alpha-D-Glucose-1-phosphate (C6H13O9P)
BMRB entry bmse000086
Entry DOI: doi:10.13018/BMSE000086
Data source: Madison Metabolomics Consortium - Qiu Cui, Ian Lewis, Gareth Westler, Mark E. Anderson, John L. Markley
NMR-STAR file:
bmse000086.strNMR-STAR
interactive viewerStructure file (mol/sdf):
bmse000086.molAll files for
bmse000086Time Domain Data:
bmse000086.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 |
|---|---|---|---|
| C6 | C1 | 96.359 | 1 |
| C5 | C2 | 74.906 | 1 |
| C4 | C3 | 75.839 | 1 |
| C3 | C4 | 72.405 | 1 |
| C2 | C5 | 74.704 | 1 |
| C1 | C6 | 63.397 | 1 |
| H23 | H17 | 5.443 | 1 |
| H22 | H18 | 3.47 | 1 |
| H21 | H19 | 3.776 | 1 |
| H20 | H20 | 3.384 | 1 |
| H19 | H21 | 3.917 | 1 |
| H17 | H22 | 3.802 | 1 |
| H18 | H23 | 3.802 | 1 |
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/bmse000086/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/bmse000086/nmr/set01/spectra/1H_13C_HSQC.png)