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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L-Citrulline (C6H13N3O3)

View large 3D structure

BMRB entry bmse000858

Entry DOI: doi:10.13018/BMSE000858
Data source: Madison Metabolomics Consortium - Francisca Jofre, Mark E. Anderson, John L. Markley

NMR-STAR file: bmse000858.str
NMR-STAR interactive viewer
Mol file: bmse000858.mol
All files for bmse000858
Time Domain Data: bmse000858.zip

View the GISSMO record for this entry.

Sample and instrument details are given with the spectrum

Assigned chemical shifts

Set 1
Sample:
Conditions:
Spectrometer:

Atom IDAuthor NomenclatureValueAmbiguity Code
C5C1177.4281
C4C457.2031
C2C630.4591
C1C727.6801
C3C841.9131
C6C10164.3051
H19H143.7431
H15H171.8651
H16H181.8651
H13H191.5591
H14H201.5591
H17H213.1341
H18H223.1341

NMR experiments

1: 1D 1H
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz

 spectrum for 1
Download time domain data: bmse000858_1.zip

2: 2D [1H,1H]-TOCSY
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz

 spectrum for 2
Download time domain data: bmse000858_2.zip

3: 1D DEPT90
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz

 spectrum for 3
Download time domain data: bmse000858_3.zip

4: 1D DEPT135
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz

 spectrum for 4
Download time domain data: bmse000858_4.zip

5: 2D [1H,13C]-HSQC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz

 spectrum for 5
Download time domain data: bmse000858_5.zip

6: 2D [1H,13C]-HMBC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz

 spectrum for 6
Download time domain data: bmse000858_6.zip

7: 2D [1H,1H]-COSY
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz

 spectrum for 7
Download time domain data: bmse000858_7.zip