N-Acetyl-D-mannosamine (C8H15NO6)
BMRB entry bmse000056
Entry DOI: doi:10.13018/BMSE000056
Data source: Madison Metabolomics Consortium - Qiu Cui, Ian Lewis, Gareth Westler, Mark E. Anderson, John L. Markley
NMR-STAR file:
bmse000056.strNMR-STAR
interactive viewerStructure file (mol/sdf):
bmse000056.molAll files for
bmse000056Time Domain Data:
bmse000056.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 - 400MHz
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C5 | C1 | 56.782 | 6 |
| C7 | C2 | 74.753 | 6 |
| C8 | C3 | 95.825 | 6 |
| C6 | C5 | 69.462 | 6 |
| C3 | C9 | 178.428 | 6 |
| C4 | C10 | 79.04 | 6 |
| C1 | C12 | 24.747 | 6 |
| C2 | C14 | 63.076 | 1 |
| H22 | H16 | 4.440 | 6 |
| H24 | H17 | 4.041 | 6 |
| H25 | H18 | 5.115 | 6 |
| H23 | H20 | 3.618 | 6 |
| H21 | H23 | 3.853 | 6 |
| H16 | H25 | 2.085 | 6 |
| H18 | H26 | 2.046 | 6 |
| H17 | H27 | 2.085 | 6 |
| H19 | H28 | 3.868 | 6 |
| H20 | H29 | 3.838 | 6 |
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
![Spectrum for experiment #2: 2D [1H,1H]-TOCSY](/ftp/pub/bmrb/metabolomics/entry_directories/bmse000056/nmr/set01/spectra/HH_TOCSY.png)
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
![Spectrum for experiment #6: 2D [1H,13C]-HSQC](/ftp/pub/bmrb/metabolomics/entry_directories/bmse000056/nmr/set01/spectra/1H_13C_HSQC.png)