2'-Deoxyguanosine 5'-triphosphate (C10H16N5O13P3)
BMRB entry bmse000210
Entry DOI: doi:10.13018/BMSE000210
Data source: Madison Metabolomics Consortium - Qiu Cui, Ian Lewis, Gareth Westler, Mark E. Anderson, John L. Markley
NMR-STAR file:
bmse000210.strNMR-STAR
interactive viewerStructure file (mol/sdf):
bmse000210.molAll files for
bmse000210Time Domain Data:
bmse000210.zipSample and instrument details are given with the spectrum
Assigned chemical shifts
Set 1
Sample: Saturated1 in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C3 | C1 | 140.177 | 1 |
| C1 | C2 | 41.470 | 1 |
| C2 | C3 | 68.084 | 1 |
| C2 | C3 | 68.030 | 1 |
| C7 | C4 | 156.548 | 4 |
| C7 | C4 | 153.920 | 4 |
| C7 | C4 | 118.709 | 4 |
| C8 | C5 | 156.548 | 4 |
| C8 | C5 | 153.920 | 4 |
| C8 | C5 | 118.709 | 4 |
| C9 | C6 | 161.599 | 1 |
| C10 | C7 | 156.548 | 4 |
| C10 | C7 | 153.920 | 4 |
| C10 | C7 | 118.709 | 4 |
| C4 | C8 | 73.591 | 1 |
| C4 | C8 | 73.426 | 1 |
| C6 | C9 | 88.336 | 4 |
| C6 | C9 | 88.250 | 4 |
| C6 | C9 | 86.122 | 4 |
| C6 | C9 | 85.966 | 4 |
| C5 | C10 | 88.336 | 4 |
| C5 | C10 | 88.250 | 4 |
| C5 | C10 | 86.122 | 4 |
| C5 | C10 | 85.966 | 4 |
| H36 | H32 | 8.080 | 1 |
| H32 | H33 | 2.751 | 4 |
| H32 | H33 | 2.521 | 4 |
| H33 | H34 | 2.751 | 4 |
| H33 | H34 | 2.521 | 4 |
| H34 | H35 | 4.236 | 4 |
| H35 | H36 | 4.236 | 4 |
| H37 | H37 | 4.236 | 4 |
| H39 | H38 | 6.267 | 4 |
| H38 | H39 | 6.267 | 4 |
NMR experiments
1: 1D 1H
Sample: Saturated1 in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
2: 2D [1H,1H]-TOCSY
Sample: Saturated1 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/bmse000210/nmr/set01/spectra/HH_TOCSY.png)
3: 1D 13C
Sample: Saturated1 in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
4: 1D DEPT90
Sample: Saturated1 in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
5: 1D DEPT135
Sample: Saturated1 in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
6: 2D [1H,13C]-HSQC
Sample: Saturated1 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/bmse000210/nmr/set01/spectra/1H_13C_HSQC.png)