Adenosine-3'-monophosphate (C10H14N5O7P)
BMRB entry bmse000349
Entry DOI: doi:10.13018/BMSE000349
Data source: Madison Metabolomics Consortium - Qiu Cui, Ian Lewis, Francisca Jofre, Mark E. Anderson, John L. Markley
NMR-STAR file:
bmse000349.strNMR-STAR
interactive viewerStructure file (mol/sdf):
bmse000349.molAll files for
bmse000349Time Domain Data:
bmse000349.zipSample and instrument details are given with the spectrum
Assigned chemical shifts
Set 1
Sample: SaturatedmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C7 | C14 | 76.368 | 4 |
| C6 | C15 | 75.945 | 4 |
| C10 | C16 | 91.13 | 1 |
| C4 | C17 | 88.223 | 1 |
| C1 | C18 | 64.246 | 1 |
| C9 | C19 | 151.323 | 1 |
| C3 | C20 | 143.43 | 1 |
| C5 | C21 | 121.913 | 1 |
| C8 | C22 | 158.453 | 1 |
| C2 | C23 | 155.327 | 1 |
| H30 | H24 | 4.712 | 4 |
| H29 | H25 | 4.712 | 4 |
| H31 | H26 | 6.098 | 1 |
| H28 | H27 | 4.432 | 1 |
| H24 | H28 | 3.897 | 2 |
| H25 | H29 | 3.897 | 2 |
| H27 | H31 | 8.355 | 1 |
| H26 | H33 | 8.22 | 1 |
NMR experiments
1: 1D 1H
Sample: SaturatedmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
2: 2D [1H,1H]-TOCSY
Sample: SaturatedmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
![Spectrum for experiment #2: 2D [1H,1H]-TOCSY](/ftp/pub/bmrb/metabolomics/entry_directories/bmse000349/nmr/set01/spectra/HH_TOCSY.png)
3: 1D 13C
Sample: SaturatedmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
4: 1D DEPT90
Sample: SaturatedmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
5: 1D DEPT135
Sample: SaturatedmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
6: 2D [1H,13C]-HSQC
Sample: SaturatedmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
![Spectrum for experiment #6: 2D [1H,13C]-HSQC](/ftp/pub/bmrb/metabolomics/entry_directories/bmse000349/nmr/set01/spectra/1H_13C_HSQC.png)
7: 2D [1H,13C]-HMBC
Sample: SaturatedmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
![Spectrum for experiment #7: 2D [1H,13C]-HMBC](/ftp/pub/bmrb/metabolomics/entry_directories/bmse000349/nmr/set01/spectra/1H_13C_HMBC.png)