D-Fructose-6-phosphate (C6H13O9P)

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BMRB entry bmse000012

Entry DOI: doi:10.13018/BMSE000012
Data source: Madison Metabolomics Consortium - Francisca Jofre, Mark E. Anderson, John L. Markley, Melanie Ulrich

NMR-STAR file:

bmse000012.str

NMR-STAR

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Structure file (mol/sdf):

bmse000012.mol

All files for

bmse000012

Time Domain Data:

bmse000012.zip

Sample and instrument details are given with the spectrum

Assigned chemical shifts

Set 1
Sample: multiple; see NMR-STAR file
Conditions: multiple; see NMR-STAR file
Spectrometer: multiple; see NMR-STAR file

Atom IDAuthor NomenclatureValueAmbiguity Code
C3C184.4654
C3C183.1844
C3C183.1204
C3C182.6894
C3C182.6244
C3C178.5364
C3C177.8584
C3C177.0574
C4C384.4654
C4C383.1844
C4C383.1204
C4C382.6894
C4C382.6244
C4C378.5364
C4C377.8584
C4C377.0574
C1C467.0671
C1C467.0311
C1C466.1801
C1C466.1451
C1C465.5781
C1C465.3291
C6C5107.1881
C6C5104.2261
C5C684.4654
C5C683.1844
C5C683.1204
C5C682.6894
C5C682.6244
C5C678.5364
C5C677.8584
C5C677.0574
H21H174.2344
H21H174.1104
H21H173.8884
H22H184.2344
H22H184.1104
H22H183.8884
H17H193.6474
H17H193.5554
H17H193.8884
H18H203.6474
H18H203.5554
H18H203.8884
H23H214.2344
H23H214.1104
H23H213.8884

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: bmse000012_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: bmse000012_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: bmse000012_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: bmse000012_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: bmse000012_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: bmse000012_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: bmse000012_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: bmse000012_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: bmse000012_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: bmse000012_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: bmse000012_11.zip

12: 1D 1H
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 8.01
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 12
Download time domain data: bmse000012_12.zip

13: 2D [1H,1H]-TOCSY
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 8.01
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 13
Download time domain data: bmse000012_13.zip

14: 1D 13C
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 8.01
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 14
Download time domain data: bmse000012_14.zip

15: 1D DEPT90
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 8.01
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 15
Download time domain data: bmse000012_15.zip

16: 1D DEPT135
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 8.01
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 16
Download time domain data: bmse000012_16.zip

17: 2D [1H,13C]-HSQC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 8.01
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 17
Download time domain data: bmse000012_17.zip

18: 2D [1H,13C]-HMBC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 8.01
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 18
Download time domain data: bmse000012_18.zip

19: 2D [1H,1H]-COSY
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 8.01
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 19
Download time domain data: bmse000012_19.zip