N-Acetyl-L-glutamic Acid (C7H11NO5)
BMRB entry bmse000382
Entry DOI: doi:10.13018/BMSE000382
Data source: Madison Metabolomics Consortium - Qiu Cui, Ian Lewis, Francisca Jofre, Mark E. Anderson, John L. Markley
NMR-STAR file:
bmse000382.strNMR-STAR
interactive viewerStructure file (mol/sdf):
bmse000382.molAll files for
bmse000382Time Domain Data:
bmse000382.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 |
|---|---|---|---|
| C5 | C7 | 58.02 | 1 |
| C2 | C8 | 31.154 | 1 |
| C3 | C9 | 36.85 | 1 |
| C7 | C10 | 181.78 | 1 |
| C4 | C11 | 176.425 | 1 |
| C6 | C12 | 184.995 | 1 |
| C1 | C13 | 24.639 | 1 |
| H21 | H14 | 4.096 | 1 |
| H17 | H15 | 2.020 | 4 |
| H18 | H16 | 1.867 | 4 |
| H19 | H17 | 2.217 | 1 |
| H20 | H18 | 2.217 | 1 |
| H16 | H20 | 2.02 | 4 |
| H14 | H21 | 2.02 | 4 |
| H15 | H22 | 2.02 | 4 |
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
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
7: 2D [1H,13C]-HMBC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
