L-Carnosine (C9H14N4O3)
BMRB entry bmse000246
Entry DOI: doi:10.13018/BMSE000246
Data source: Madison Metabolomics Consortium - Qiu Cui, Ian Lewis, Gareth Westler, Mark E. Anderson, John L. Markley
NMR-STAR file:
bmse000246.strNMR-STAR
interactive viewerStructure file (mol/sdf):
bmse000246.molAll files for
bmse000246Time Domain Data:
bmse000246.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 - 400MHz
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C4 | C1 | 119.849 | 1 |
| C5 | C2 | 137.52 | 1 |
| C1 | C3 | 38.372 | 4 |
| C2 | C4 | 34.768 | 4 |
| C3 | C5 | 30.994 | 1 |
| C6 | C6 | 134.662 | 1 |
| C7 | C7 | 57.578 | 1 |
| H23 | H17 | 7.052 | 1 |
| H24 | H18 | 8.015 | 1 |
| H17 | H19 | 3.216 | 2 |
| H18 | H20 | 3.216 | 2 |
| H19 | H21 | 2.672 | 2 |
| H20 | H22 | 2.672 | 2 |
| H21 | H23 | 3.095 | 1 |
| H22 | H24 | 3.095 | 1 |
| H25 | H25 | 4.466 | 1 |
NMR experiments
1: 1D 1H
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
2: 2D [1H,1H]-TOCSY
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
3: 1D 13C
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
4: 1D DEPT90
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
5: 1D DEPT135
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
6: 2D [1H,13C]-HSQC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
