DADP (C10H15N5O9P2)
BMRB entry bmse000253
Entry DOI: doi:10.13018/BMSE000253
Data source: Madison Metabolomics Consortium - Qiu Cui, Ian Lewis, Mark E. Anderson, John L. Markley
NMR-STAR file:
bmse000253.strNMR-STAR
interactive viewerStructure file (mol/sdf):
bmse000253.molAll files for
bmse000253Time Domain Data:
bmse000253.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 |
|---|---|---|---|
| C2 | C17 | 67.365 | 1 |
| C2 | C17 | 67.313 | 1 |
| C7 | C18 | 88.419 | 4 |
| C7 | C18 | 88.333 | 4 |
| C7 | C18 | 86.141 | 4 |
| C7 | C18 | 73.320 | 4 |
| C6 | C19 | 88.419 | 4 |
| C6 | C19 | 88.333 | 4 |
| C6 | C19 | 86.141 | 4 |
| C6 | C19 | 73.320 | 4 |
| C5 | C20 | 88.419 | 4 |
| C5 | C20 | 88.333 | 4 |
| C5 | C20 | 86.141 | 4 |
| C5 | C20 | 73.320 | 4 |
| C1 | C21 | 41.551 | 1 |
| C9 | C22 | 158.142 | 1 |
| C10 | C23 | 151.218 | 4 |
| C10 | C23 | 121.183 | 4 |
| C8 | C24 | 151.218 | 4 |
| C8 | C24 | 121.183 | 4 |
| C4 | C25 | 142.626 | 1 |
| C3 | C26 | 155.301 | 1 |
| H29 | H33 | 4.196 | 1 |
| H29 | H33 | 4.135 | 1 |
| H30 | H34 | 4.196 | 1 |
| H30 | H34 | 4.135 | 1 |
| H35 | H35 | 6.457 | 4 |
| H35 | H35 | 4.269 | 4 |
| H34 | H36 | 6.457 | 4 |
| H34 | H36 | 4.269 | 4 |
| H33 | H37 | 6.457 | 4 |
| H33 | H37 | 4.269 | 4 |
| H27 | H38 | 2.809 | 1 |
| H27 | H38 | 2.608 | 1 |
| H28 | H39 | 2.809 | 1 |
| H28 | H39 | 2.608 | 1 |
| H32 | H40 | 8.455 | 1 |
| H31 | H41 | 8.171 | 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/bmse000253/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/bmse000253/nmr/set01/spectra/1H_13C_HSQC.png)