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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Elaidic Acid (C18H34O2)

View large 3D structure

BMRB entry bmse000643

Entry DOI: doi:10.13018/BMSE000643
Data source: Madison Metabolomics Consortium - Francisca Jofre, Mark E. Anderson, John L. Markley

NMR-STAR file: bmse000643.str
NMR-STAR interactive viewer
Mol file: bmse000643.mol
All files for bmse000643
Time Domain Data: bmse000643.zip

Sample and instrument details are given with the spectrum

Assigned chemical shifts

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

Atom IDAuthor NomenclatureValueAmbiguity Code
C5C333.9354
C6C433.9004
C4C533.3724
C13C631.0774
C14C731.0084
C7C830.8994
C12C930.7844
C15C1030.5804
C3C1130.5484
C8C1230.5174
C11C1330.3344
C16C1426.3941
C2C1524.0521
C9C16131.8684
C10C17131.7654
C17C1835.2501
C1C1914.7681
C18C20177.9771
H30H211.9734
H31H221.3064
H32H231.9734
H33H241.3064
H28H251.9734
H29H261.3064
H44H271.9734
H45H281.3064
H46H291.9734
H47H301.3064
H34H311.9734
H35H321.3064
H42H331.9734
H43H341.3064
H48H351.9734
H49H361.3064
H26H371.9734
H27H381.3064
H36H391.9734
H37H401.3064
H40H411.9734
H41H421.3064
H50H431.5911
H51H441.5911
H24H451.9734
H25H461.3064
H38H475.3804
H39H485.3804
H52H492.2681
H53H502.2681
H21H510.8971
H22H520.8971
H23H530.8971

NMR experiments

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

 spectrum for 1
Download time domain data: bmse000643_1.zip

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

 spectrum for 2
Download time domain data: bmse000643_2.zip

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

 spectrum for 3
Download time domain data: bmse000643_3.zip

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

 spectrum for 4
Download time domain data: bmse000643_4.zip

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

 spectrum for 5
Download time domain data: bmse000643_5.zip

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

 spectrum for 6
Download time domain data: bmse000643_6.zip

7: 2D [1H,13C]-HMBC
Sample: Saturated1 in methanol, ref: TMS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz

 spectrum for 7
Download time domain data: bmse000643_7.zip

8: 2D [1H,1H]-COSY
Sample: Saturated1 in methanol, ref: TMS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz

 spectrum for 8
Download time domain data: bmse000643_8.zip