UTP (C9H15N2O15P3)
BMRB entry bmse000295
Entry DOI: doi:10.13018/BMSE000295
Data source: Madison Metabolomics Consortium - Qiu Cui, Ian Lewis, Mark E. Anderson, John L. Markley
NMR-STAR file:
bmse000295.strNMR-STAR
interactive viewerStructure file (mol/sdf):
bmse000295.molAll files for
bmse000295Time Domain Data:
bmse000295.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 |
|---|---|---|---|
| C3 | C21 | 67.49 | 1 |
| C8 | C22 | 90.98 | 1 |
| C4 | C23 | 86.035 | 1 |
| C7 | C24 | 76.464 | 1 |
| C6 | C25 | 72.165 | 1 |
| C9 | C26 | 154.631 | 1 |
| C5 | C27 | 169.052 | 1 |
| C2 | C28 | 144.468 | 1 |
| C1 | C29 | 105.355 | 1 |
| H32 | H37 | 4.26 | 1 |
| H33 | H38 | 4.26 | 1 |
| H37 | H39 | 5.977 | 1 |
| H34 | H40 | 4.26 | 1 |
| H36 | H41 | 4.403 | 1 |
| H35 | H42 | 4.446 | 1 |
| H31 | H43 | 7.975 | 1 |
| H30 | H44 | 5.977 | 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/bmse000295/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/bmse000295/nmr/set01/spectra/1H_13C_HSQC.png)