L-Norleucine (C6H13NO2)
BMRB entry bmse000411
Entry DOI: doi:10.13018/BMSE000411
Data source: Madison Metabolomics Consortium - Qiu Cui, Ian Lewis, Francisca Jofre, Mark E. Anderson, John L. Markley
NMR-STAR file:
bmse000411.strNMR-STAR
interactive viewerStructure file (mol/sdf):
bmse000411.molAll files for
bmse000411Time Domain Data:
bmse000411.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 - 500MHz
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C4 | C4 | 32.811 | 1 |
| C3 | C5 | 29.103 | 1 |
| C5 | C6 | 57.534 | 1 |
| C2 | C7 | 24.388 | 1 |
| C1 | C8 | 15.689 | 1 |
| C6 | C9 | 177.889 | 1 |
| H17 | H10 | 1.847 | 1 |
| H18 | H11 | 1.847 | 1 |
| H15 | H12 | 1.339 | 4 |
| H16 | H13 | 1.339 | 4 |
| H19 | H14 | 3.717 | 1 |
| H13 | H15 | 1.339 | 4 |
| H14 | H16 | 1.339 | 4 |
| H12 | H17 | 0.889 | 1 |
| H11 | H18 | 0.889 | 1 |
| H10 | H19 | 0.889 | 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
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
