BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

Pantothenate (C9H17NO5)

View large 3D structure

BMRB entry bmse000287

Entry DOI: doi:10.13018/BMSE000287
Data source: Madison Metabolomics Consortium - Qiu Cui, Ian Lewis, Mark E. Anderson, John L. Markley

NMR-STAR file: bmse000287.str
NMR-STAR interactive viewer
Mol file: bmse000287.mol
All files for bmse000287
Time Domain Data: bmse000287.zip

View the GISSMO record for this entry.

Sample and instrument details are given with the spectrum

Assigned chemical shifts

Set 1
Sample: Saturated1 in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz

Atom IDAuthor NomenclatureValueAmbiguity Code
C9C741.2771
C7C878.4591
C5C971.11
C4C1039.3774
C4C1038.8524
C3C1139.3774
C3C1138.8524
C1C1223.2344
C1C1221.8434
C2C1323.2344
C2C1321.8434
C6C14177.6491
C8C15183.021
H28H203.9711
H26H213.4294
H27H223.4294
H24H233.4294
H24H232.4054
H25H243.4294
H25H242.4054
H22H253.4294
H22H252.4054
H23H263.4294
H23H262.4054
H21H270.9194
H21H270.8834
H18H280.9194
H18H280.8834
H17H290.9194
H17H290.8834
H16H300.9194
H16H300.8834
H20H310.9194
H20H310.8834
H19H320.9194
H19H320.8834

NMR experiments

1: 1D 1H
Sample: Saturated1 in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz

 spectrum for 1
Download time domain data: bmse000287_1.zip

2: 2D [1H,1H]-TOCSY
Sample: Saturated1 in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz

 spectrum for 2
Download time domain data: bmse000287_2.zip

3: 1D 13C
Sample: Saturated1 in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz

 spectrum for 3
Download time domain data: bmse000287_3.zip

4: 1D DEPT90
Sample: Saturated1 in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz

 spectrum for 4
Download time domain data: bmse000287_4.zip

5: 1D DEPT135
Sample: Saturated1 in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz

 spectrum for 5
Download time domain data: bmse000287_5.zip

6: 2D [1H,13C]-HSQC
Sample: Saturated1 in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz

 spectrum for 6
Download time domain data: bmse000287_6.zip