N-Acetyl-D-glucosamine 1-phosphate (C8H16NO9P)
BMRB entry bmse000163
Entry DOI: doi:10.13018/BMSE000163
Data source: Madison Metabolomics Consortium - Qiu Cui, Ian Lewis, Mark E. Anderson, John L. Markley
NMR-STAR file:
bmse000163.strNMR-STAR
interactive viewerStructure file (mol/sdf):
bmse000163.molAll files for
bmse000163Time Domain Data:
bmse000163.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 |
|---|---|---|---|
| C5 | C1 | 56.900 | 1 |
| C5 | C1 | 56.826 | 1 |
| C8 | C2 | 95.494 | 1 |
| C8 | C2 | 95.440 | 1 |
| C7 | C3 | 74.801 | 4 |
| C7 | C3 | 74.139 | 4 |
| C7 | C3 | 72.723 | 4 |
| C6 | C7 | 74.801 | 4 |
| C6 | C7 | 74.139 | 4 |
| C6 | C7 | 72.723 | 4 |
| C3 | C9 | 177.425 | 1 |
| C4 | C10 | 74.801 | 4 |
| C4 | C10 | 74.139 | 4 |
| C4 | C10 | 72.723 | 4 |
| C1 | C13 | 24.858 | 1 |
| C2 | C15 | 63.405 | 1 |
| H26 | H20 | 3.912 | 4 |
| H26 | H20 | 3.776 | 4 |
| H26 | H20 | 3.471 | 4 |
| H29 | H21 | 5.342 | 1 |
| H28 | H22 | 3.912 | 4 |
| H28 | H22 | 3.776 | 4 |
| H28 | H22 | 3.471 | 4 |
| H27 | H24 | 3.912 | 4 |
| H27 | H24 | 3.776 | 4 |
| H27 | H24 | 3.471 | 4 |
| H25 | H26 | 3.912 | 4 |
| H25 | H26 | 3.776 | 4 |
| H25 | H26 | 3.471 | 4 |
| H20 | H28 | 2.052 | 1 |
| H22 | H29 | 2.052 | 1 |
| H21 | H30 | 2.052 | 1 |
| H23 | H31 | 3.912 | 1 |
| H23 | H31 | 3.776 | 1 |
| H24 | H32 | 3.912 | 1 |
| H24 | H32 | 3.776 | 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/bmse000163/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/bmse000163/nmr/set01/spectra/1H_13C_HSQC.png)