Table 2 ¹ H NMR data for metabolites in rat serum and significant changes of potential biomarkers

1

lipoproteins

CH ₃(CH₂)_n CH ₃CH₂CH₂C=

0.90 (br. t)

-

-

-

-

-

-

2

leucine

δ CH₃, δ′ CH₃, β CH₂, γ CH

1.00 (d), 1.02 (d), 1.67 (m), 1.73 (m), 3.75 (m)

-

-

-

-

-

-

3

isoleucine

δ CH₃, γ′ CH₃, γ CH₂, β CH, α CH

1.02 (t), 1.07 (d), 1.30 (m), 1.51 (m), 1.99 (m), 3.68 (d)

-

-

-

-

-

-

4

valine

γ′ CH_3, γ CH_3, β CH, α CH

1.05 (d), 1.11 (d), 2.30 (m), 3.66 (d)

-

-

-

-

-

-

5

β-HB

CH₃, CH₂, CH

1.25 (d), 2.29 (m), 2.39 (m), 4.14 (m)

1.25

↓**

-

-

↑**

-

↑*

6

FA

CH₃(CH ₂)_n, CH ₂CH₂CO, CH ₂-C = C, CH ₂-C = O, =C-CH ₂-C=

1.34 (m), 1.63 (m), 2.09 (m), 2.29 (m), 2.80 (m)

1.34

↑*

-

-

-

-

-

7

lactate

β CH₃, α CH

1.39 (d), 4.18 (q)

1.39

↑***

-

-

-

↓***

↓**

8

alanine

β CH₃, α CH

1.54 (d), 3.82 (q)

-

-

-

-

-

-

9

lysine

γ CH₂, δ CH₂, β CH₂, ϵ CH₂, αCH

1.53 (m), 1.75 (m), 1.94 (m), 3.05 (t), 3.83 (t)

-

-

-

-

-

-

10

acetate

CH₃

1.98 (s)

-

-

-

-

-

-

11

NAG

CH₃

2.09 (s)

2.09

↑*

-

-

-

-

-

12

OAG

CH₃

2.19 (s)

2.19

↑***

-

-

-

↓**

↓**

13

acetone

CH₃

2.28 (s)

-

-

-

-

-

-

14

acetoacetate

CH₃, CH₂

2.33 (s), 3.44 (s)

-

-

-

-

-

-

15

2-ketoglutarate

β CH₂, γ CH₂

2.46 (t), 3.03 (t)

-

-

-

-

-

-

16

glutamine

β CH₂, α CH

2.19 (dd), 2.50 (dd), 3.83 (dd)

-

-

-

-

-

-

17

creatine/phosphocreatine

N-CH₃, CH₂

3.09 (s), 3.99 (s)

3.09

↑**

↓**

-

-

-

-

18

choline

N-(CH₃)₃, α CH₂, β CH₂

3.25 (s), 4.09 (t), 3.55 (t)

3.25

↓***

↑*

-

-

↑**

↑*

19

GPC

N-(CH₃)₃, α CH₂, β CH₂

3.26 (s), 4.32 (t), 3.69 (t)

3.26

↓***

↑*

-

-

-

↑**

20

PC

N-(CH₃)₃, α CH₂, β CH₂

3.27 (s), 4.16 (t), 3.60 (t)

3.27

↓**

↑*

-

-

-

↑*

21

TMAO

CH₃

3.32(s)

3.32

↑**

-

-

-

-

-

22

methanol

CH₃

3.42 (s)

-

-

-

-

-

-

23

glycine

CH₂

3.61 (s)

-

-

-

-

-

-

24

glycerol

CH, CH₂

3.81 (m), 3.71(m), 3.69 (m)

3.69

↑*

-

-

-

-

↓*

25

glucose

α C₁H, β C₁H, C₂H

5.28 (d), 4.69 (d), 3.29 (dd)

5.28 4.69

↑***

↓**

-

-

↓*

↓**

26

PUFA

-CH = CH-, CH₂

5.35 (m), 2.83 (m)

5.35

↑**

-

-

-

-

-

27

tyrosine

CH, CH

7.23 (m), 6.94 (m)

7.23

↑**

-

-

-

-

-

28

1-methylhistidine

C₄H, C₂H

7.09 (s), 7.81 (s)

-

-

-

-

-

-

29

phenylalanine

α CH, C₂H/ C₆H, C₄H,C₃H/ C₅H

3.99 (m), 7.34 (m), 7.39 (m), 7.41 (m)

-

-

-

-

-

-

30

formate

H COOH

8.52 (s)

8.52

↑**

-

-

-

-

-

31

albumin

Lysyl-CH₂

3.05 (m)

-

-

-

-

-

-