CDP (C9H15N3O11P2)

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BMRB entry bmse000272

Entry DOI: doi:10.13018/BMSE000272
Data source: Madison Metabolomics Consortium - Qiu Cui, Ian Lewis, Gareth Westler, Mark E. Anderson, John L. Markley

NMR-STAR file:

bmse000272.str

NMR-STAR

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Structure file (mol/sdf):

bmse000272.mol

All files for

bmse000272

Time Domain Data:

bmse000272.zip

Sample and instrument details are given with the spectrum

Assigned chemical shifts

Set 1
Sample: saturationmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz

Atom IDAuthor NomenclatureValueAmbiguity Code
C3C1766.611
C8C1885.2991
C4C1992.2281
C7C2071.4861
C6C2177.0091
C9C22160.3991
C5C23168.8751
C2C24144.2641
C1C2599.2261
H28H334.2411
H29H344.2411
H33H354.2411
H30H365.9651
H32H374.4061
H31H384.3171
H27H397.9831
H26H406.1121

NMR experiments

1: 1D 1H
Sample: saturationmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz

Array spectrum for 1
Download time domain data: bmse000272_1.zip

2: 2D [1H,1H]-TOCSY
Sample: saturationmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz

Array spectrum for 2
Download time domain data: bmse000272_2.zip

3: 1D 13C
Sample: saturationmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz

Array spectrum for 3
Download time domain data: bmse000272_3.zip

4: 1D DEPT90
Sample: saturationmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz

Array spectrum for 4
Download time domain data: bmse000272_4.zip

5: 1D DEPT135
Sample: saturationmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz

Array spectrum for 5
Download time domain data: bmse000272_5.zip

6: 2D [1H,13C]-HSQC
Sample: saturationmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz

Array spectrum for 6
Download time domain data: bmse000272_6.zip