Table 1. ¹H-NMR data and assignments of the metabolites in rat serum and urine.

Key	Metabolites	Moieties	Chemical shifta	Samplesb
1	Lipid	CH3, (CH2)n, CH2-C = C	0.89(m), 1.27(m), 2.0(m)	S
2	Leu/Ile	α CH, β CH2, γ CH3, δ CH3	3.65(d), 1.95(m), 0.94(t), 1.02(d)	S,U
3	Valine	α CH, β CH2, γ CH3, δ CH3	0.99(d), 3.72(t), 1.96(m), 0.91(d)	S,U
4	β-HB	CH, CH2, γ CH3, CH2	4.16(dt), 2.41(dd), 1.20(d), 2.31(dd)	S
5	Lactate	α CH, β CH3	4.11(q), 1.32(d)	S,U
6	Alanine	α CH, β CH3	3.77(q), 1.48(d)	S,U
7	Acetate	CH3	1.91(s)	S,U
8	N-acetyl-glycoproteins	CH3	2.04(s)	S,U
9	O-acetyl-glycoproteins	CH3	2.14(s)	S,U
10	Acetoacetate	CH3	2.27(s)	S,U
11	Glutamate	α CH, β CH2, γ CH2	2.08(m), 2.34(m), 3.75(m)	S
12	Glutamine	α CH, β CH2, γ CH2	2.15(m), 2.44(m), 3.77(m)	S
13	Citrate	CH2 (1/2), CH2 (1/2)	2.55(d), 2.65(d)	S,U
14	Aspartic acid	CH2	2.82(dd)	S
15	TMA	CH3	2.93(s)	S,U
16	Creatinine	CH3, CH2	3.03(s), 3.92(s)	S
17	Choline	N(CH3)3, OCH2, NCH2	3.2(s), 4.05(t), 3.51(t)	S
18	Phosphocholine	N(CH3)3, OCH2, NCH2	3.22(s), 4.21(t), 3.61(t)	S
19	TMAO	CH3	3.27(s)	S
20	β-Glucose	1-CH	4.66(d)	S
21	α-Glucose	1-CH	5.23(d)	S
22	Histidine	2-CH, 4-CH, CH2	7.75(t), 7.08(d), 6.05(d)	S
23	Tyrosine	CH, CH	6.89(dd), 7.18(dd)	S
24	Formate	CH	8.45(s)	S,U
25	Succinate	CH3	2.41(s)	U
26	2-oxoglutarate(2-OG)	CH2, CH3	2.45(t), 3.01(t)	U
27	Dimethylamine	CH3	2.72(s)	U
28	Taurine	S-CH2, N-CH2	3.26(t), 3.40(t)	U
29	Glycine	CH2	3.57(s)	U
30	Betaine	CH2, CH3	3.26(s), 3.93(s)	U
31	Malate	CH	4.31(dd)	U
32	Allantoate	CH	5.40(s)	U
33	Fumarate	CH	6.53(s)	U
34	Phenylacetylglycine	2,6-CH, 3,5-CH, 7-CH, 10-CH	7.43(m), 7.37(m), 3.75(d), 3.68(s)	U
35	Hippurate	CH2, CH, CH, CH, NH	3.98(d), 7.56(t), 7.65(t), 7.84(d)	U

^as, singlet; d, doublet; t, triplet; q, quartet; m, multiplet; dd, doublet of doublets. Bold letters indicated these peaks were visually assigned in Figure 3.

^bS, serum; U, urine.