2'-Deoxyguanosine 5'-monophosphate (C10H14N5O7P)
BMRB entry bmse000824
Entry DOI: doi:10.13018/BMSE000824
Data source: National Magnetic Facility at Madison - Francisca Jofre, Mark E. Anderson, John L. Markley, Melanie E. Ulrich
NMR-STAR file:
bmse000824.strNMR-STAR
interactive viewerStructure file (mol/sdf):
bmse000824.molAll files for
bmse000824Time Domain Data:
bmse000824.zipView the GISSMO record for this entry.
Sample and instrument details are given with the spectrum
Assigned chemical shifts
Set 1
Sample: multiple; see NMR-STAR file
Conditions: multiple; see NMR-STAR file
Spectrometer: Bruker DMX - 500MHz
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C6 | C14 | 86.051 | 1 |
| C4 | C15 | 74.254 | 1 |
| C1 | C16 | 41.648 | 1 |
| C5 | C17 | 89.025 | 1 |
| C5 | C17 | 88.958 | 1 |
| C2 | C18 | 66.738 | 1 |
| C2 | C18 | 66.702 | 1 |
| C8 | C19 | 153.868 | 1 |
| C3 | C20 | 140.187 | 1 |
| C7 | C21 | 118.638 | 1 |
| C9 | C22 | 161.455 | 1 |
| C10 | C23 | 156.526 | 1 |
| H31 | H24 | 6.243 | 1 |
| H29 | H25 | 4.705 | 1 |
| H24 | H26 | 2.762 | 2 |
| H24 | H26 | 2.533 | 2 |
| H25 | H27 | 2.762 | 2 |
| H25 | H27 | 2.533 | 2 |
| H30 | H28 | 4.229 | 1 |
| H26 | H29 | 3.972 | 1 |
| H27 | H30 | 3.972 | 1 |
| H28 | H32 | 8.121 | 1 |
NMR experiments
1: 1D 1H
Sample: 0.5mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
2: 1D 1H
Sample: 2.0mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
3: 1D 1H
Sample: Saturatedn/a in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
4: 2D [1H,1H]-TOCSY
Sample: Saturatedn/a in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
![Spectrum for experiment #4: 2D [1H,1H]-TOCSY](/ftp/pub/bmrb/metabolomics/entry_directories/bmse000824/nmr/set01/spectra/HH_TOCSY/00.png)
5: 1D 13C
Sample: Saturatedn/a in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
6: 1D DEPT90
Sample: Saturatedn/a in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
7: 1D DEPT135
Sample: Saturatedn/a in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
8: 2D [1H,13C]-HSQC
Sample: Saturatedn/a in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
![Spectrum for experiment #8: 2D [1H,13C]-HSQC](/ftp/pub/bmrb/metabolomics/entry_directories/bmse000824/nmr/set01/spectra/1H_13C_HSQC/00.png)
9: 2D [1H,13C]-HMBC
Sample: Saturatedn/a in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
![Spectrum for experiment #9: 2D [1H,13C]-HMBC](/ftp/pub/bmrb/metabolomics/entry_directories/bmse000824/nmr/set01/spectra/1H_13C_HMBC/00.png)
10: 2D [1H,1H]-COSY
Sample: Saturatedn/a in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
![Spectrum for experiment #10: 2D [1H,1H]-COSY](/ftp/pub/bmrb/metabolomics/entry_directories/bmse000824/nmr/set01/spectra/HH_COSY/00.png)
11: 2D [1H,13C]-HSQC
Sample: Saturatedn/a in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
12: 1D 1H
Sample: 0.5mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.33
Spectrometer: Bruker DMX - 500MHz
13: 1D 1H
Sample: 2.0mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.40
Spectrometer: Bruker DMX - 500MHz
14: 1D 1H
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.17
Spectrometer: Bruker DMX - 500MHz
15: 2D [1H,1H]-TOCSY
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.17
Spectrometer: Bruker DMX - 500MHz
![Spectrum for experiment #15: 2D [1H,1H]-TOCSY](/ftp/pub/bmrb/metabolomics/entry_directories/bmse000824/nmr/set01/spectra/HH_TOCSY_alt_pH/00.png)
16: 1D 13C
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.17
Spectrometer: Bruker DMX - 500MHz
17: 1D DEPT90
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.17
Spectrometer: Bruker DMX - 500MHz
18: 1D DEPT135
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.17
Spectrometer: Bruker DMX - 500MHz
19: 2D [1H,13C]-HSQC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.17
Spectrometer: Bruker DMX - 500MHz
![Spectrum for experiment #19: 2D [1H,13C]-HSQC](/ftp/pub/bmrb/metabolomics/entry_directories/bmse000824/nmr/set01/spectra/1H_13C_HSQC_alt_pH/00.png)
20: 2D [1H,13C]-HMBC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.17
Spectrometer: Bruker DMX - 500MHz
![Spectrum for experiment #20: 2D [1H,13C]-HMBC](/ftp/pub/bmrb/metabolomics/entry_directories/bmse000824/nmr/set01/spectra/1H_13C_HMBC_alt_pH/00.png)
21: 2D [1H,1H]-COSY
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.17
Spectrometer: Bruker DMX - 500MHz
![Spectrum for experiment #21: 2D [1H,1H]-COSY](/ftp/pub/bmrb/metabolomics/entry_directories/bmse000824/nmr/set01/spectra/HH_COSY_alt_pH/00.png)
22: 2D [1H,13C]-HSQC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.17
Spectrometer: Bruker DMX - 500MHz