16:0 Succinyl PE 1,2-dipalmitoyl-sn-glycero-3-phosphoethanolamine-N-(succinyl) (sodium Salt) (C41H77NNaO11P)

16:0 Succinyl PE 1,2-dipalmitoyl-sn-glycero-3-phosphoethanolamine-N-(succinyl) (sodium Salt) bmse001117 - Data

View large 3D structure

BMRB entry bmse001117

Entry DOI: doi:10.13018/BMSE001117
Data source: National Magnetic Resonance Facility at Madison - Maria Nesterova, Lawrence J. Clos, Christopher Stancic, Mark E. Anderson, John L. Markley

NMR-STAR file:

bmse001117.str

NMR-STAR

interactive viewer

Structure file (mol/sdf):

bmse001117.mol

All files for

bmse001117

Time Domain Data:

bmse001117.zip

Sample and instrument details are given with the spectrum

Assigned chemical shifts

Set 1
Sample: 100mM in Methanol-d4, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Atom IDValueAmbiguity Code
C113.77031
C222.49141
C329.32564
C429.32564
C529.32564
C629.32564
C729.32564
C829.32564
C929.32564
C1029.32564
C1131.72264
C1229.32564
C1329.32564
C1424.58251
C1533.76271
C16173.76481
C1962.31781
C2070.14361
H215.20811
C2263.29151
C2840.04041
C2964.01281
C31173.97751
C3330.80464
C3431.26364
C35177.40611
C39173.42481
C4133.76271
C4224.58251
C4329.32564
C4429.32564
C4529.32564
C4629.32564
C4729.32564
C4829.32564
C4929.32564
C5029.32564
C5129.32564
C5229.32564
C5329.32564
C5422.49141
C5513.77031
H570.85911
H580.85911
H590.85911
H601.25831
H611.25831
H621.23664
H631.23664
H641.23664
H651.23664
H661.23664
H671.23664
H681.23664
H691.23664
H701.23664
H711.23664
H721.23664
H731.23664
H741.23664
H751.23664
H761.23664
H771.23664
H781.23664
H791.23664
H801.23664
H811.23664
H821.23664
H831.23664
H841.57941
H851.57941
H862.29971
H872.29971
H884.15342
H894.38822
H903.94171
H913.94171
H923.38511
H933.38511
H943.86471
H953.86471
H972.52974
H982.44724
H992.44724
H1002.44724
H1022.29971
H1032.29971
H1041.57941
H1051.57941
H1061.23664
H1071.24534
H1081.23664
H1091.23664
H1101.23664
H1111.23664
H1121.23664
H1131.23664
H1141.23664
H1151.23664
H1161.23664
H1171.23664
H1181.23664
H1191.23664
H1201.23664
H1211.23664
H1221.23664
H1231.23664
H1241.23664
H1251.23664
H1261.23664
H1271.23664
H1281.25831
H1291.25831
H1300.85911
H1310.85911
H1320.85911

NMR experiments

1: 1D 1H
Sample: 100mM in Methanol-d4, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #1: 1D 1H
Download time domain data: bmse001117_1.zip

2: 2D 1H-1H TOCSY
Sample: 100mM in Methanol-d4, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #2: 2D 1H-1H TOCSY
Download time domain data: bmse001117_2.zip

3: 1D 13C
Sample: 100mM in Methanol-d4, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #3: 1D 13C
Download time domain data: bmse001117_3.zip

4: 1D DEPT90
Sample: 100mM in Methanol-d4, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #4: 1D DEPT90
Download time domain data: bmse001117_4.zip

5: 1D DEPT135
Sample: 100mM in Methanol-d4, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #5: 1D DEPT135
Download time domain data: bmse001117_5.zip

6: 2D 1H-13C HSQC
Sample: 100mM in Methanol-d4, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #6: 2D 1H-13C HSQC
Download time domain data: bmse001117_6.zip

7: 2D 1H-13C HSQC SW small
Sample: 100mM in Methanol-d4, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Download time domain data: bmse001117_7.zip

8: 2D 1H-13C HMBC
Sample: 100mM in Methanol-d4, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #8: 2D 1H-13C HMBC
Download time domain data: bmse001117_8.zip

9: 2D 1H-1H COSY
Sample: 100mM in Methanol-d4, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #9: 2D 1H-1H COSY
Download time domain data: bmse001117_9.zip

10: 2D 1H-13C HSQC-TOCSY-ADIA
Sample: 100mM in Methanol-d4, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #10: 2D 1H-13C HSQC-TOCSY-ADIA
Download time domain data: bmse001117_10.zip