CDP (C9H15N3O11P2)
BMRB entry bmse000272
Entry DOI: doi:10.13018/BMSE000272
Data source: Madison Metabolomics Consortium - Qiu Cui, Ian Lewis, Gareth Westler, Mark E. Anderson, John L. Markley
NMR-STAR file:
bmse000272.strNMR-STAR
interactive viewerStructure file (mol/sdf):
bmse000272.molAll files for
bmse000272Time Domain Data:
bmse000272.zipSample and instrument details are given with the spectrum
Assigned chemical shifts
Set 1
Sample: saturationmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C3 | C17 | 66.61 | 1 |
| C8 | C18 | 85.299 | 1 |
| C4 | C19 | 92.228 | 1 |
| C7 | C20 | 71.486 | 1 |
| C6 | C21 | 77.009 | 1 |
| C9 | C22 | 160.399 | 1 |
| C5 | C23 | 168.875 | 1 |
| C2 | C24 | 144.264 | 1 |
| C1 | C25 | 99.226 | 1 |
| H28 | H33 | 4.241 | 1 |
| H29 | H34 | 4.241 | 1 |
| H33 | H35 | 4.241 | 1 |
| H30 | H36 | 5.965 | 1 |
| H32 | H37 | 4.406 | 1 |
| H31 | H38 | 4.317 | 1 |
| H27 | H39 | 7.983 | 1 |
| H26 | H40 | 6.112 | 1 |
NMR experiments
1: 1D 1H
Sample: saturationmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
2: 2D [1H,1H]-TOCSY
Sample: saturationmM 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/bmse000272/nmr/set01/spectra/HH_TOCSY.png)
3: 1D 13C
Sample: saturationmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
4: 1D DEPT90
Sample: saturationmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
5: 1D DEPT135
Sample: saturationmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
6: 2D [1H,13C]-HSQC
Sample: saturationmM 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/bmse000272/nmr/set01/spectra/1H_13C_HSQC.png)