L-alpha-phosphatidylinositol (C43H78O13P-)

L-alpha-phosphatidylinositol bmse001107 - Data

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BMRB entry bmse001107

Entry DOI: doi:10.13018/BMSE001107
Data source: National Magnetic Resonance Facility at Madison - Maria Nesterova, Lawrence J. Clos, Christopher Stancic, Mark E. Anderson, John L. Markley

NMR-STAR file:

bmse001107.str

NMR-STAR

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Structure file (mol/sdf):

bmse001107.mol

All files for

bmse001107

Time Domain Data:

bmse001107.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
C4371.43824
C4171.7924
C4271.86464
C3972.60594
C4074.51964
C3876.67764
C3464.00551
C3570.61571
C1929.41374
C1629.7134
C2129.41374
C1429.41374
C2329.41374
C3363.04351
C1229.41374
C2529.41374
C1029.41374
C2729.41374
C829.41374
C2924.92471
C632.06441
C3134.2021
C37173.98374
C36174.33694
C3234.2021
C422.70161
C3024.92471
C2829.41374
C2629.41374
C2429.41374
C2229.41374
C214.15111
C2027.44711
C18130.13831
C17128.12331
C1525.77981
C729.41374
C927.44711
C532.06441
C13128.12331
C11130.13831
C322.70161
C114.15111
H1343.29214
H1353.48054
H1323.68164
H1333.80724
H1313.92034
H1304.19264
H1224.0461
H1234.0461
H1245.27441
H921.26354
H931.26354
H881.26354
H891.26354
H961.26354
H971.26354
H841.26354
H851.26354
H1001.26354
H1011.26354
H1204.19262
H1214.45222
H811.26354
H821.26354
H1041.26354
H1051.26354
H781.26354
H791.26354
H1081.26354
H1091.26354
H741.26354
H751.26354
H1121.60011
H1131.60011
H701.27181
H711.27181
H1162.32741
H1172.32741
H1182.32741
H1192.32741
H661.31751
H671.31751
H1141.60011
H1151.60011
H1101.26354
H1111.30924
H1061.26354
H1071.26354
H1021.26354
H1031.26354
H981.26354
H991.26354
H621.26354
H611.26354
H631.26354
H942.05731
H952.05731
H915.35971
H905.32831
H862.78051
H872.78051
H721.26354
H731.26354
H762.05731
H772.05731
H681.27181
H691.27181
H835.32831
H805.35971
H641.31751
H651.31751
H590.89361
H580.89361
H600.89361

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: bmse001107_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: bmse001107_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: bmse001107_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: bmse001107_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: bmse001107_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: bmse001107_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: bmse001107_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: bmse001107_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: bmse001107_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: bmse001107_10.zip