Alpha-D-Glucose 1,6-bisphosphate (C6H14O12P2)
BMRB entry bmse000087
Entry DOI: doi:10.13018/BMSE000087
Data source: Madison Metabolomics Consortium - Qiu Cui, Ian Lewis, Gareth Westler, Mark E. Anderson, John L. Markley
NMR-STAR file:
bmse000087.strNMR-STAR
interactive viewerStructure file (mol/sdf):
bmse000087.molAll files for
bmse000087Time Domain Data:
bmse000087.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 | 96.576 | 1 |
| C5 | C2 | 75.032 | 1 |
| C4 | C3 | 75.351 | 1 |
| C3 | C4 | 71.581 | 1 |
| C2 | C5 | 74.348 | 1 |
| C1 | C6 | 65.378 | 1 |
| H27 | H21 | 5.443 | 1 |
| H26 | H22 | 3.515 | 1 |
| H25 | H23 | 3.774 | 1 |
| H24 | H24 | 3.605 | 1 |
| H23 | H25 | 3.942 | 1 |
| H21 | H26 | 4.007 | 1 |
| H22 | H27 | 4.007 | 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/bmse000087/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/bmse000087/nmr/set01/spectra/1H_13C_HSQC.png)