2,3-Diphospho-D-glyceric Acid (C3H8O10P2)

2,3-Diphospho-D-glyceric Acid bmse000002 - Data bmse000934 - Data bmse000954 - Data

View large 3D structure

BMRB entry bmse000002

Entry DOI: doi:10.13018/BMSE000002
Data source: Madison Metabolomics Consortium - Francisca Jofre, Mark E. Anderson, John L. Markley, Melanie E. Ulrich

NMR-STAR file:

bmse000002.str

NMR-STAR

interactive viewer

Structure file (mol/sdf):

bmse000002.mol

All files for

bmse000002

Time Domain Data:

bmse000002.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: multiple; see NMR-STAR file
Spectrometer: multiple; see NMR-STAR file

Atom ID	Author Nomenclature	Value	Ambiguity Code
C2	C6	77.570	1
C2	C6	77.533	1
C2	C6	77.492	1
C2	C6	77.455	1
C3	C7	181.508	1
C3	C7	181.467	1
C1	C8	69.114	1
C1	C8	69.084	1
C1	C8	69.052	1
H18	H18	4.470	1
H16	H19	3.974	1
H17	H20	3.974	1

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: bmse000002_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: bmse000002_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: bmse000002_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: bmse000002_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: bmse000002_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: bmse000002_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: bmse000002_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: bmse000002_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: bmse000002_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: bmse000002_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

Spectrum for experiment #11: 2D [1H,13C]-HSQC SW small

Download time domain data: bmse000002_11.zip

12: 1D 1H
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 9.01
Spectrometer: Bruker DMX - 500MHz

Download time domain data: bmse000002_12.zip

13: 2D [1H,1H]-TOCSY
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 9.01
Spectrometer: Bruker DMX - 500MHz

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

Download time domain data: bmse000002_13.zip

14: 1D 13C
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 9.01
Spectrometer: Bruker DMX - 500MHz

Download time domain data: bmse000002_14.zip

15: 1D DEPT90
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 9.01
Spectrometer: Bruker DMX - 500MHz

Download time domain data: bmse000002_15.zip

16: 1D DEPT135
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 9.01
Spectrometer: Bruker DMX - 500MHz

Download time domain data: bmse000002_16.zip

17: 2D [1H,13C]-HSQC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 9.01
Spectrometer: Bruker DMX - 500MHz

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

Download time domain data: bmse000002_17.zip

18: 2D [1H,13C]-HMBC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 9.01
Spectrometer: Bruker DMX - 500MHz

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

Download time domain data: bmse000002_18.zip

19: 2D [1H,1H]-COSY
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 9.01
Spectrometer: Bruker DMX - 500MHz

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

Download time domain data: bmse000002_19.zip