BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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ITP (C10H15N4O14P3)

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BMRB entry bmse000255

Entry DOI: doi:10.13018/BMSE000255
Data source: Madison Metabolomics Consortium - Qiu Cui, Ian Lewis, Mark E. Anderson, John L. Markley

NMR-STAR file: bmse000255.str
NMR-STAR interactive viewer
Mol file: bmse000255.mol
All files for bmse000255
Time Domain Data: bmse000255.zip

Sample and instrument details are given with the spectrum

Assigned chemical shifts

Set 1
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz

Atom IDAuthor NomenclatureValueAmbiguity Code
C1C2267.7481
C1C2267.6951
C10C2389.9311
C4C2486.8311
C4C2486.7421
C7C2577.2254
C7C2577.1274
C7C2572.8604
C7C2572.5244
C6C2677.2254
C6C2677.1274
C6C2672.8604
C6C2672.5244
C8C27151.5941
C9C28161.4401
C5C29126.3561
C2C30149.0201
C3C31142.5231
H32H394.2711
H33H404.2711
H39H416.1311
H36H424.4051
H38H434.6264
H37H444.6264
H34H458.2101
H35H468.4951

NMR experiments

1: 1D 1H
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz

 spectrum for 1
Download time domain data: bmse000255_1.zip

2: 2D [1H,1H]-TOCSY
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz

 spectrum for 2
Download time domain data: bmse000255_2.zip

3: 1D 13C
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz

 spectrum for 3
Download time domain data: bmse000255_3.zip

4: 1D DEPT90
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz

 spectrum for 4
Download time domain data: bmse000255_4.zip

5: 1D DEPT135
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz

 spectrum for 5
Download time domain data: bmse000255_5.zip

6: 2D [1H,13C]-HSQC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz

 spectrum for 6
Download time domain data: bmse000255_6.zip