&xnbsp;Blood Plasma Lipid Assignment

Part 2:
The High Field Signals

 


Comments are highly welcome: Wieland Willker


The low field double bond signals can be found here.

 

 

Table 1: Chemical shifts (ppm) of fatty acid a, b, g signals of human blood plasma lipids

 

Fa 13C

Fa 1H

Fb 13C

Fb 1H

Fg 13C

Fg 1H

free fatty acid

~ 35.5

~ 2.26

~ 25.8

~ 1.61

-

~ 1.31

Cholesterol ester

34.99

2.289

25.31

1.619

29.38

1.330

PE-plasmalogen, g-chain

34.60

2.36

25.20

1.63

-

1.33

PC b-chain, Sat., 18:1, 18:2

34.49

2.340

25.17

1.626

29.40

1.330

PC g-chain, Sat., 18:1, 18:2

34.36

2.316

25.14

1.609

29.40

1.318

PC b-chain, &xnbsp;&xnbsp;&xnbsp;20:4 Fa (D-3)

33.91

2.362

25.06

1.707

 

 

PC g-chain, &xnbsp;&xnbsp;&xnbsp;20:4 Fa (D-3)

34.30

2.310

25.13

1.709

 

 

PC, &xnbsp;&xnbsp;&xnbsp;&xnbsp;&xnbsp;&xnbsp;&xnbsp;&xnbsp;&xnbsp;&xnbsp;&xnbsp;&xnbsp;&xnbsp;&xnbsp;&xnbsp;22:6 Fa (D-2)

34.33

2.411

22.89

2.41

 

 

TAG 1,3, Sat., 18:1, 18:2

34.34

2.338

25.17

1.625

 

 

TAG 1,3, 20:4 Fa (D-3)

33.85

2.364

25.07

1.716

 

 

TAG 2,&xnbsp;&xnbsp;&xnbsp; 20:4 Fa (D-3)

33.66

2.358

25.00

1.715

 

 

a-OH fatty acid (brain)

72.42

4.02

34.92

1.74 + 1.55

25.58

1.42

 

 

Table 2: Fatty acid w, w-1 and w-2 signals of human blood plasma lipids.

 

Fw 13C

Fw 1H

Fw-1 13C

Fw-1 1H

Fw-2 13C

Fw-2 1H

Fw-3 13C

Finner* 13C

Fw-3 1H

Finner 1H

FA sat.

14.22

0.893

22.99

1.30

32.23

1.278

29.69

30.03

1.278

1.276

FA 18:1

14.22

0.893

22.99

1.30

32.21

1.283

 

 

FA 18:2

&xnbsp;+ 20:4

14.18

0.905

22.87

1.33

31.80

1.307

 

 

FA 22:6

14.41

0.986

20.83

2.09 (=D-1)

 

 

 

 

 

* Finner = Fw-4/-5 etc. of saturated fatty acids.

 

Table 3: Fatty acid D-1 signals of human blood plasma lipids.

 

DCH2D

13C

&xnbsp;DCH2D

1H

D-1 13C

D-1 1H

D-2 13C

H12/15/17*

D-2 1H

H12/15/17

D-2 13C

H7

D-2 1H

H7

18:1

-

-

27.50

2.03

30.08

1.346

29.63

1.295

18:2

25.95

2.785

27.49

2.06

29.67

1.373

29.89

1.369

18:3

(n-6)

25.94

2.83

27.50 C14

27.12 C5

2.08

2.10

29.65

1.377

29.36

1.41

20:4

25.96 -

25.93

2.84

27.53 C16

26.81 C4

2.07 H16

2.14 H4

29.96

1.370

-

-

 

* the position is H12 for 18:1, H15 for 18:2, H17 for 20:4


Table 4: Chemical shifts of cholesterol and cholesterol ester in human blood plasma.

position

13C (alcohol)

1H (alcohol)

13C (ester)

1H (ester)

1

37.66

1.86 + 1.08

37.35

1.89 + 1.15

2

31.48

1.81 + 1.50

28.11

1.86 + 1.61

3

71.55

3.46

74.41

4.60

4

42.18

2.25

38.46

2.33

5

141.28

-

139.98

-

6

121.84

5.36

123.00

5.38

7

32.23

1.98 + 1.55

32.23

1.99 + 1.57

8

32.28

1.47

32.23

1.48

9

50.60

0.943

50.47

0.977

10

36.87

-

36.95

-

11

21.42

1.50

21.38

1.51

12

40.18

2.03 + 1.18

40.12

2.04 + 1.19

13

42.67

-

42.67

-

14

57.17

1.01

57.09

1.02

15

24.59

1.60 + 1.10

24.59

1.60 + 1.10

16

28.56

1.85 + 1.29

28.56

1.85 + 1.29

17

56.55

1.11

56.53

1.12

18

12.05

0.702

12.07

0.705

19

19.55

1.02

19.50

1.04

20

36.16

1.40

36.16

1.40

21

18.93

0.938

18.93

0.938

22

36.55

1.37 + 1.02

36.55

1.37 + 1.02

23

24.17

1.36 + 1.17

24.17

1.36 + 1.17

24

39.86

1.13

39.86

1.13

25

28.31

1.53

28.31

1.53

26

22.70

0.876

22.70

0.876

27

22.95

0.881

22.95

0.881

 


Table 5: Signal assignment of the glycerol backbone of lipids in human blood plasma.

PC = phosphytidylcholine, DAG = diacylglycerine, TAG = triacylglycerine,

SPH = sphingomyeline, Plas = plasmalogen, PCa = Alkyl-PC (Ether)

 

13C a

1H a

13C b

1H b

13C g

1H g

PC

63.91

4.00

70.74

5.24

63.00

4.43 + 4.17

b-lyso PC

67.19

3.96 + 3.88

69.03

3.99

65.32

4.14

g-lyso PC

63.41

4.02

73.5

4.97

60.12

3.73

DAG

60.80

3.69

72.44

5.10

62.94

4.43 + 4.18

TAG

62.48

4.34 + 4.17

69.41

5.28

 

 

SPH

64.91

4.17 + 3.90

54.28

3.93

71.47

4.07

PE-Plas.

63.91

4.00

72.05

5.18

70.61

3.96 + 3.89

PCa

64.39

3.99

72.20

5.16

69.53

3.61

 

 

 


Table 6: Assignment of various other signals in human blood plasma.

 

13C

1H

PC a' (choline headgroup)

59.37

4.26

PC b' (choline headgroup)

66.73

3.62

PC N(CH3)3 &xnbsp;&xnbsp;&xnbsp;(choline headgroup)

54.31

3.227

SPH N(CH3)3 (choline headgroup)

54.28

3.217

PE(-Plas.) a' &xnbsp;(choline headgroup)

61.95

4.05

PE(-Plas.) b' &xnbsp;(choline headgroup)

41.00

3.13

PE(-Plas.) D1(=C-O-)

145.0

5.93

PE(-Plas.) D2(-C-C=)

108.2

4.36

PE(-Plas.) D-1

24.19

2.02

PE(-Plas.) D-2

-

1.30

PCa Ether a

72.02

3.48 + 3.42

PCa Ether b

29.89

1.55

PCa Ether g

26.35

1.31

SPH F(N) a

36.76

2.18

SPH F(N) b

26.33

1.59

SPH F(N) g

29.76

1.30

SPH d (DB-1)

129.7

5.46

SPH e (DB-2)

134.7

5.71

SPH e-1

32.73

2.03

SPH e-2

29.63

1.37

SPH e-3

-

1.29

 

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