BMRB

Biological Magnetic Resonance Data Bank


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

Palmitic Acid (C16H32O2)

View large 3D structure

BMRB entry bmse000590

Entry DOI: doi:10.13018/BMSE000590
Data source: Madison Metabolomics Consortium - Francisca Jofre, Mark E. Anderson, John L. Markley

NMR-STAR file: bmse000590.str
NMR-STAR interactive viewer
Mol file: bmse000590.mol
All files for bmse000590
Time Domain Data: bmse000590.zip

Sample and instrument details are given with the spectrum

Assigned chemical shifts

Set 1
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 400MHz

Atom IDAuthor NomenclatureValueAmbiguity Code
C8C334.5894
C9C432.3294
C7C532.2484
C10C632.0954
C6C732.0224
C11C831.8984
C5C931.7164
C12C1034.5894
C4C1132.3294
C13C1232.2484
C3C1332.0954
C14C1427.3301
C2C1525.3551
C15C1636.6781
C1C1716.7801
C16C18182.6131
H34H191.2564
H35H201.2564
H36H211.2564
H37H221.2564
H32H231.2564
H33H241.2564
H38H251.2564
H39H261.2564
H30H271.2564
H31H281.2564
H40H291.2564
H41H301.2564
H28H311.2564
H29H321.2564
H42H331.2564
H43H341.2564
H26H351.2564
H27H361.2564
H44H371.2564
H45H381.2564
H24H391.2564
H25H401.2564
H46H411.6311
H47H421.6311
H22H431.2564
H23H441.2564
H48H452.3471
H49H462.3471
H21H470.8811
H19H480.8811
H20H490.8811

NMR experiments

1: 1D 1H
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 400MHz

 spectrum for 1
Download time domain data: bmse000590_1.zip

2: 2D [1H,1H]-TOCSY
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 400MHz

 spectrum for 2
Download time domain data: bmse000590_2.zip

3: 1D 13C
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 400MHz

 spectrum for 3
Download time domain data: bmse000590_3.zip

4: 1D DEPT90
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 400MHz

 spectrum for 4
Download time domain data: bmse000590_4.zip

5: 1D DEPT135
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 400MHz

 spectrum for 5
Download time domain data: bmse000590_5.zip

6: 2D [1H,13C]-HSQC
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 400MHz

 spectrum for 6
Download time domain data: bmse000590_6.zip

7: 2D [1H,13C]-HMBC
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 400MHz

 spectrum for 7
Download time domain data: bmse000590_7.zip

8: 2D [1H,1H]-COSY
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 400MHz

 spectrum for 8
Download time domain data: bmse000590_8.zip