16:0 Biotinyl PE,1,2-dipalmitoyl-sn-glycero-3-phosphoethanolamine-N-(biotinyl) (sodium Salt) (C47H87N3NaO10PS)

16:0 Biotinyl PE,1,2-dipalmitoyl-sn-glycero-3-phosphoethanolamine-N-(biotinyl) (sodium Salt) bmse001116 - Data

View large 3D structure

BMRB entry bmse001116

Entry DOI: doi:10.13018/BMSE001116
Data source: National Magnetic Resonance Facility at Madison - Maria Nesterova, Lawrence J. Clos, Christopher Stancic, Mark E. Anderson, John L. Markley

NMR-STAR file:

bmse001116.str

NMR-STAR

interactive viewer

Structure file (mol/sdf):

bmse001116.mol

All files for

bmse001116

Time Domain Data:

bmse001116.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
C114.241
C322.98391
C529.77914
C729.77914
C929.77914
C1129.77914
C1329.77914
C1529.77914
C1729.77914
C1929.77914
C2132.17754
C2329.77914
C2529.77914
C2725.33231
C3334.67571
C44174.06474
C3763.10581
C4070.86321
C3863.90521
C3664.35491
C3540.82141
C43175.03271
C3236.02481
C3025.83191
C2928.62991
C3128.28021
C4255.81091
C4662.40631
C4160.55761
C3940.62151
C47164.90921
C45174.43264
C3434.67571
C2825.33231
C2629.77914
C2429.77914
C2229.77914
C2029.77914
C1829.77914
C1629.77914
C1429.77914
C1229.77914
C1029.77914
C829.77914
C629.77914
C422.98391
C214.241
H640.87851
H630.87851
H650.87851
H691.27431
H701.27431
H731.254
H741.254
H771.254
H781.254
H811.254
H821.254
H851.254
H861.254
H891.254
H901.254
H931.254
H941.254
H971.254
H981.254
H1011.254
H1021.254
H1051.254
H1061.254
H1091.254
H1101.254
H1131.254
H1141.254
H1171.59721
H1181.59721
H1292.3161
H1302.3161
H1374.17212
H1384.40552
H1435.22821
H1393.96421
H1403.96421
H1353.90591
H1363.90591
H1333.39532
H1343.42812
H1272.22571
H1282.22571
H1231.67011
H1241.67011
H1211.44451
H1221.44451
H1251.6252
H1261.73612
H1453.18741
H1464.32531
H1444.50031
H1412.72062
H1422.92852
H1312.3161
H1322.3161
H1191.59721
H1201.59721
H1151.254
H1161.28134
H1111.254
H1121.254
H1071.254
H1081.254
H1031.254
H1041.254
H991.254
H1001.254
H951.254
H961.254
H911.254
H921.254
H871.254
H881.254
H831.254
H841.254
H791.254
H801.254
H751.254
H761.254
H711.27431
H721.27431
H660.87851
H680.87851
H670.87851

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: bmse001116_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: bmse001116_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: bmse001116_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: bmse001116_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: bmse001116_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: bmse001116_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: bmse001116_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: bmse001116_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: bmse001116_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: bmse001116_10.zip