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

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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 ID	Value	Ambiguity Code
C1	13.7703	1
C2	22.4914	1
C3	29.3256	4
C4	29.3256	4
C5	29.3256	4
C6	29.3256	4
C7	29.3256	4
C8	29.3256	4
C9	29.3256	4
C10	29.3256	4
C11	31.7226	4
C12	29.3256	4
C13	29.3256	4
C14	24.5825	1
C15	33.7627	1
C16	173.7648	1
C19	62.3178	1
C20	70.1436	1
H21	5.2081	1
C22	63.2915	1
C28	40.0404	1
C29	64.0128	1
C31	173.9775	1
C33	30.8046	4
C34	31.2636	4
C35	177.4061	1
C39	173.4248	1
C41	33.7627	1
C42	24.5825	1
C43	29.3256	4
C44	29.3256	4
C45	29.3256	4
C46	29.3256	4
C47	29.3256	4
C48	29.3256	4
C49	29.3256	4
C50	29.3256	4
C51	29.3256	4
C52	29.3256	4
C53	29.3256	4
C54	22.4914	1
C55	13.7703	1
H57	0.8591	1
H58	0.8591	1
H59	0.8591	1
H60	1.2583	1
H61	1.2583	1
H62	1.2366	4
H63	1.2366	4
H64	1.2366	4
H65	1.2366	4
H66	1.2366	4
H67	1.2366	4
H68	1.2366	4
H69	1.2366	4
H70	1.2366	4
H71	1.2366	4
H72	1.2366	4
H73	1.2366	4
H74	1.2366	4
H75	1.2366	4
H76	1.2366	4
H77	1.2366	4
H78	1.2366	4
H79	1.2366	4
H80	1.2366	4
H81	1.2366	4
H82	1.2366	4
H83	1.2366	4
H84	1.5794	1
H85	1.5794	1
H86	2.2997	1
H87	2.2997	1
H88	4.1534	2
H89	4.3882	2
H90	3.9417	1
H91	3.9417	1
H92	3.3851	1
H93	3.3851	1
H94	3.8647	1
H95	3.8647	1
H97	2.5297	4
H98	2.4472	4
H99	2.4472	4
H100	2.4472	4
H102	2.2997	1
H103	2.2997	1
H104	1.5794	1
H105	1.5794	1
H106	1.2366	4
H107	1.2453	4
H108	1.2366	4
H109	1.2366	4
H110	1.2366	4
H111	1.2366	4
H112	1.2366	4
H113	1.2366	4
H114	1.2366	4
H115	1.2366	4
H116	1.2366	4
H117	1.2366	4
H118	1.2366	4
H119	1.2366	4
H120	1.2366	4
H121	1.2366	4
H122	1.2366	4
H123	1.2366	4
H124	1.2366	4
H125	1.2366	4
H126	1.2366	4
H127	1.2366	4
H128	1.2583	1
H129	1.2583	1
H130	0.8591	1
H131	0.8591	1
H132	0.8591	1

NMR experiments

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

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

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

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

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

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

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

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

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

Download time domain data: bmse001117_10.zip