D-(+)-Glucose (C6H12O6)

View large 3D structure

BMRB entry bmse000015

Entry DOI: doi:10.13018/BMSE000015
Data source: Madison Metabolomics Consortium - Francisca Jofre, Mark E. Anderson, John L. Markley

NMR-STAR file:

bmse000015.str

NMR-STAR

interactive viewer

Structure file (mol/sdf):

bmse000015.mol

All files for

bmse000015

Time Domain Data:

bmse000015.zip

View the GISSMO record for this entry.

Sample and instrument details are given with the spectrum

Assigned chemical shifts

Set 1
Sample: multiple; see NMR-STAR file
Conditions: temperature: 298K, pH: 7.4
Spectrometer: multiple; see NMR-STAR file

Atom IDAuthor NomenclatureValueAmbiguity Code
C6C198.6431
C6C194.8261
C5C278.6904
C5C278.4744
C5C276.8544
C5C275.4804
C5C274.2024
C5C274.1664
C5C272.3524
C5C272.3094
C4C378.6904
C4C378.4744
C4C376.8544
C4C375.4804
C4C374.2024
C4C374.1664
C4C372.3524
C4C372.3094
C3C478.6904
C3C478.4744
C3C476.8544
C3C475.4804
C3C474.2024
C3C474.1664
C3C472.3524
C3C472.3094
C2C578.6904
C2C578.4744
C2C576.8544
C2C575.4804
C2C574.2024
C2C574.1664
C2C572.3524
C2C572.3094
C1C663.4541
C1C663.2841
H19H135.2221
H19H134.6361
H18H143.8874
H18H143.8284
H18H143.7264
H18H143.5174
H18H143.4594
H18H143.4014
H18H143.2324
H17H153.8874
H17H153.8284
H17H153.7264
H17H153.5174
H17H153.4594
H17H153.4014
H17H153.2324
H16H163.8874
H16H163.8284
H16H163.7264
H16H163.5174
H16H163.4594
H16H163.4014
H16H163.2324
H15H173.8874
H15H173.8284
H15H173.7264
H15H173.5174
H15H173.4594
H15H173.4014
H15H173.2324
H13H183.8874
H13H183.8284
H13H183.7264
H13H183.5174
H13H183.4594
H13H183.4014
H13H183.2324
H14H193.8874
H14H193.8284
H14H193.7264
H14H193.5174
H14H193.4594
H14H193.4014
H14H193.2324

NMR experiments

1: 1D 1H, 0.5 mM
Sample: 0.5mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 1
Download time domain data: bmse000015_1.zip

2: 1D 1H, 2.0 mM
Sample: 2.0mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 2
Download time domain data: bmse000015_2.zip

3: 1D 1H
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 3
Download time domain data: bmse000015_3.zip

4: 2D [1H,1H]-TOCSY
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 4
Download time domain data: bmse000015_4.zip

5: 1D 13C
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 5
Download time domain data: bmse000015_5.zip

6: 1D DEPT90
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 6
Download time domain data: bmse000015_6.zip

7: 1D DEPT135
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 7
Download time domain data: bmse000015_7.zip

8: 2D [1H,13C]-HSQC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 8
Download time domain data: bmse000015_8.zip

9: 2D [1H,13C]-HMBC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 9
Download time domain data: bmse000015_9.zip

10: 2D [1H,1H]-COSY
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 10
Download time domain data: bmse000015_10.zip

11: 2D [1H,13C]-HSQC SW small
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz

Download time domain data: bmse000015_11.zip