L-Glutathione Reduced (C10H17N3O6S)
BMRB entry bmse000952
Entry DOI: doi:10.13018/BMSE000952
Data source: National Magnetic Facility at Madison - Francisca Jofre, Mark E. Anderson, John L. Markley
NMR-STAR file:
bmse000952.strNMR-STAR
interactive viewerStructure file (mol/sdf):
bmse000952.molAll files for
bmse000952Time Domain Data:
bmse000952.zipView the GISSMO record for this entry.
Sample and instrument details are given with the spectrum
Assigned chemical shifts
Set 1
Sample:
Conditions:
Spectrometer:
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C5 | C2 | 56.790 | 1 |
| C10 | C3 | 176.831 | 1 |
| C1 | C6 | 28.886 | 1 |
| C2 | C7 | 34.025 | 1 |
| C7 | C8 | 177.716 | 1 |
| C6 | C11 | 58.430 | 1 |
| C9 | C12 | 174.509 | 1 |
| C4 | C14 | 28.269 | 1 |
| C3 | C17 | 46.049 | 1 |
| C8 | C18 | 179.100 | 1 |
| H29 | H23 | 3.766 | 4 |
| H21 | H25 | 2.158 | 1 |
| H22 | H26 | 2.158 | 1 |
| H23 | H27 | 2.548 | 1 |
| H24 | H28 | 2.548 | 1 |
| H30 | H30 | 4.557 | 1 |
| H27 | H31 | 2.943 | 1 |
| H28 | H32 | 2.943 | 1 |
| H25 | H34 | 3.766 | 4 |
| H26 | H35 | 3.766 | 4 |
NMR experiments
1: 1D 1H
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz
2: 2D [1H,1H]-TOCSY
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz
![Spectrum for experiment #2: 2D [1H,1H]-TOCSY](/ftp/pub/bmrb/metabolomics/entry_directories/bmse000952/nmr/set01/spectra/HH_TOCSY/00.png)
3: 1D DEPT90
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz
4: 1D DEPT135
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz
5: 2D [1H,13C]-HSQC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz
![Spectrum for experiment #5: 2D [1H,13C]-HSQC](/ftp/pub/bmrb/metabolomics/entry_directories/bmse000952/nmr/set01/spectra/1H_13C_HSQC/00.png)
6: 2D [1H,13C]-HMBC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz
![Spectrum for experiment #6: 2D [1H,13C]-HMBC](/ftp/pub/bmrb/metabolomics/entry_directories/bmse000952/nmr/set01/spectra/1H_13C_HMBC/00.png)
7: 2D [1H,1H]-COSY
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz
![Spectrum for experiment #7: 2D [1H,1H]-COSY](/ftp/pub/bmrb/metabolomics/entry_directories/bmse000952/nmr/set01/spectra/HH_COSY/00.png)
8: 2D [1H,13C]-HMQC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz
![Spectrum for experiment #8: 2D [1H,13C]-HMQC](/ftp/pub/bmrb/metabolomics/entry_directories/bmse000952/nmr/set01/spectra/1H_13C_HMQC/00.png)
9: 2D [1H,13C]-HSQC SW small
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz
![Spectrum for experiment #9: 2D [1H,13C]-HSQC SW small](/ftp/pub/bmrb/metabolomics/entry_directories/bmse000952/nmr/set01/spectra/1H_13C_HSQC_SW_small/00.png)