3-deazauridine (C10H13NO6)
BMRB entry bmse000731
Entry DOI: doi:10.13018/BMSE000731
Data source: Madison Metabolomics Consortium - Francisca Jofre, Mark E. Anderson, John L. Markley, Ravi Rapolu
NMR-STAR file:
bmse000731.strNMR-STAR
interactive viewerStructure file (mol/sdf):
bmse000731.molAll files for
bmse000731Time Domain Data:
bmse000731.zipView the GISSMO record for this entry.
Sample 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 - 500MHz
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C9 | C8 | 76.666 | 1 |
| C8 | C9 | 72.386 | 1 |
| C10 | C10 | 91.33 | 1 |
| C6 | C11 | 86.529 | 1 |
| C4 | C12 | 63.788 | 1 |
| C7 | C13 | 168.569 | 1 |
| C2 | C14 | 136.383 | 1 |
| C3 | C15 | 101.405 | 1 |
| C1 | C16 | 111.278 | 1 |
| C5 | C17 | 180.575 | 1 |
| H26 | H18 | 4.325 | 1 |
| H25 | H19 | 4.23 | 1 |
| H27 | H20 | 6.093 | 1 |
| H24 | H21 | 4.114 | 1 |
| H22 | H22 | 3.894 | 2 |
| H22 | H22 | 3.798 | 2 |
| H23 | H23 | 3.894 | 2 |
| H23 | H23 | 3.798 | 2 |
| H19 | H26 | 7.534 | 1 |
| H20 | H27 | 6.024 | 1 |
NMR experiments
1: 1D 1H
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
2: 2D [1H,1H]-TOCSY
Sample: 100mM 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/bmse000731/nmr/set01/spectra/HH_TOCSY.png)
3: 1D 13C
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
4: 1D DEPT90
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
5: 1D DEPT135
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
6: 2D [1H,13C]-HSQC
Sample: 100mM 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/bmse000731/nmr/set01/spectra/1H_13C_HSQC.png)
7: 2D [1H,13C]-HMBC
Sample: 100mM 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/bmse000731/nmr/set01/spectra/1H_13C_HMBC.png)
8: 2D [1H,1H]-COSY
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
![Spectrum for experiment #8: 2D [1H,1H]-COSY](/ftp/pub/bmrb/metabolomics/entry_directories/bmse000731/nmr/set01/spectra/HH_COSY.png)