D-(+)-Mannose (C6H12O6)

View large 3D structure

BMRB entry bmse000018

Entry DOI: doi:10.13018/BMSE000018
Data source: Madison Metabolomics Consortium - Francisca Jofre, Mark E. Anderson, John L. Markley

NMR-STAR file:

bmse000018.str

NMR-STAR

interactive viewer

Structure file (mol/sdf):

bmse000018.mol

All files for

bmse000018

Time Domain Data:

bmse000018.zip

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: Bruker DMX - 500MHz

Atom IDAuthor NomenclatureValueAmbiguity Code
C6C296.7711
C6C296.4031
C5C378.9054
C5C375.7634
C5C375.1274
C5C373.9504
C5C373.4084
C5C372.9454
C5C369.5614
C4C478.9054
C4C475.7634
C4C475.1274
C4C473.9504
C4C473.4084
C4C472.9454
C4C469.5614
C3C578.9054
C3C575.7634
C3C575.1274
C3C573.9504
C3C573.4084
C3C572.9454
C3C569.5614
C2C678.9054
C2C675.7634
C2C675.1274
C2C673.9504
C2C673.4084
C2C672.9454
C2C669.5614
C1C769.3161
C1C763.6811
H19H145.1701
H19H144.8911
H18H153.9244
H18H153.8804
H18H153.8514
H18H153.8124
H18H153.7344
H18H153.6454
H18H153.5604
H18H153.3744
H17H163.9244
H17H163.8804
H17H163.8514
H17H163.8124
H17H163.7344
H17H163.6454
H17H163.5604
H17H163.3744
H16H173.9244
H16H173.8804
H16H173.8514
H16H173.8124
H16H173.7344
H16H173.6454
H16H173.5604
H16H173.3744
H15H183.9244
H15H183.8804
H15H183.8514
H15H183.8124
H15H183.7344
H15H183.6454
H15H183.5604
H15H183.3744
H13H193.9244
H13H193.8804
H13H193.8514
H13H193.8124
H13H193.7344
H13H193.6454
H13H193.5604
H13H193.3744
H14H203.9244
H14H203.8804
H14H203.8514
H14H203.8124
H14H203.7344
H14H203.6454
H14H203.5604
H14H203.3744

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: bmse000018_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: bmse000018_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: bmse000018_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: bmse000018_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: bmse000018_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: bmse000018_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: bmse000018_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: bmse000018_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: bmse000018_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: bmse000018_10.zip

11: 2D [1H,13C]-HSQC SW small
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

Download time domain data: bmse000018_11.zip