D-Fructose-6-phosphate (C6H13O9P)

D-Fructose-6-phosphate bmse000012 - Data

View large 3D structure

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 ID	Author Nomenclature	Value	Ambiguity Code
C3	C1	84.465	4
C3	C1	83.184	4
C3	C1	83.120	4
C3	C1	82.689	4
C3	C1	82.624	4
C3	C1	78.536	4
C3	C1	77.858	4
C3	C1	77.057	4
C4	C3	84.465	4
C4	C3	83.184	4
C4	C3	83.120	4
C4	C3	82.689	4
C4	C3	82.624	4
C4	C3	78.536	4
C4	C3	77.858	4
C4	C3	77.057	4
C1	C4	67.067	1
C1	C4	67.031	1
C1	C4	66.180	1
C1	C4	66.145	1
C1	C4	65.578	1
C1	C4	65.329	1
C6	C5	107.188	1
C6	C5	104.226	1
C5	C6	84.465	4
C5	C6	83.184	4
C5	C6	83.120	4
C5	C6	82.689	4
C5	C6	82.624	4
C5	C6	78.536	4
C5	C6	77.858	4
C5	C6	77.057	4
H21	H17	4.234	4
H21	H17	4.110	4
H21	H17	3.888	4
H22	H18	4.234	4
H22	H18	4.110	4
H22	H18	3.888	4
H17	H19	3.647	4
H17	H19	3.555	4
H17	H19	3.888	4
H18	H20	3.647	4
H18	H20	3.555	4
H18	H20	3.888	4
H23	H21	4.234	4
H23	H21	4.110	4
H23	H21	3.888	4

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

Spectrum for experiment #1: 1D 1H, 0.5 mM

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

Spectrum for experiment #2: 1D 1H, 2.0 mM

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

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

Spectrum for experiment #4: 2D [1H,1H]-TOCSY

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

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

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

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

Spectrum for experiment #8: 2D [1H,13C]-HSQC

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

Spectrum for experiment #9: 2D [1H,13C]-HMBC

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

Spectrum for experiment #10: 2D [1H,1H]-COSY

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

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

Spectrum for experiment #13: 2D [1H,1H]-TOCSY

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

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

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

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

Spectrum for experiment #17: 2D [1H,13C]-HSQC

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

Spectrum for experiment #18: 2D [1H,13C]-HMBC

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

Spectrum for experiment #19: 2D [1H,1H]-COSY

Download time domain data: bmse000012_19.zip