Evidence-Based Complementary and Alternative Medicine / 2015 / Article / Tab 1

Research Article

Toxic Markers of Matrine Determined Using 1H-NMR-Based Metabolomics in Cultured Cells In Vitro and Rats In Vivo

Table 1

The 1H NMR data of the metabolites in the urine of rats and HepG2 cells.

No.Metabolites1H Shift (multiplicity)Sample

2-oxoglutarate2.43 (t), 3.00 (t)U
2Acetate1.92 (s)U, C
3ADP/ATP5.99 (s), 7.88 (d), 8.19 (s)C
4Alanine1.48 (d), 3.78 (q)U, C
5Cholesterol (total)0.61 (s), 0.79 (dd), 0.84 (d), 0.94 (s), 1.76 (m)C
6Choline3.19 (s)C
7Citrate2.55 (d), 2.70 (d)U
8Creatine3.04 (s), 3.93 (s)C
9Creatinine3.04 (s), 4.06 (s)U
10Dimethylamine2.72 (s)U
11Fatty Acid0.81 (t), 1.20 (m), 2.24 (m)C
12Formate8.46 (s)U, C
13Fumarate6.52 (s)C
14Glutamate2.10 (m), 2.35 (m), 3.78 (t)C
15Glutamine2.11 (m), 2.44 (m), 3.77 (t)C
16Glutathione2.54 (m), 2.95 (m), 4.56 (m)C
17Glycerol4.07 (dd), 4.22 (dd), 5.19 (br)C
18Glycerophospholipid3.86 (s), 5.13 (m)C
19Glycine3.56 (s)U, C
20Hippurate7.83 (d), 7.64 (t), 7.55 (t), 3.97 (d)U
21Inosine8.22 (s), 8.33 (s)C
22Isoleucine0.94 (t), 1.01 (d)C
23Lactate1.33 (d), 4.12 (q)U, C
24Leucine0.96 (d), 0.97 (d)C
25Methylamine2.61 (s)U
26N,N-Dimethylglycine2.92 (s)U
27NADP+8.84 (d), 9.14 (d), 9.33 (s)C
28Phenylalanine7.33 (d), 7.38 (t), 7.43 (m)C
29Phosphatidylcholine3.23 (s), 3.67 (s), 4.32 (m)C
30Phosphocholine3.20 (s)C
31Succinate2.40 (s)U
32Taurine3.25 (t), 3.42 (t)U, C
33Threonine1.33 (d)C
34Trimethyamine N-oxide3.26 (s)U
35Tyrosine6.92 (d), 7.20 (d)C
36Unsaturated Fatty Acid2.75 (m), 5.27 (br)C
37Uracil5.79 (d), 7.52 (d)C
38Valine0.99 (d), 1.04 (d)C

The numbering system is the same as used in Figure 1.
Multiplicity: s, singlet; d, doublet; t, triplet; q, quartet; dd, doublet of doublets; m, multiplet; br, broad resonance.
U, urine of rats; C, aqueous extracts of HepG2 cells; C, lipophilic extracts of HepG2 cells.

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