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.
Metabolites
1H Shift (multiplicity)
Sample
2-oxoglutarate
2.43 (t), 3.00 (t)
U
2
Acetate
1.92 (s)
U, C
3
ADP/ATP
5.99 (s), 7.88 (d), 8.19 (s)
C
4
Alanine
1.48 (d), 3.78 (q)
U, C
5
Cholesterol (total)
0.61 (s), 0.79 (dd), 0.84 (d), 0.94 (s), 1.76 (m)
C
6
Choline
3.19 (s)
C
7
Citrate
2.55 (d), 2.70 (d)
U
8
Creatine
3.04 (s), 3.93 (s)
C
9
Creatinine
3.04 (s), 4.06 (s)
U
10
Dimethylamine
2.72 (s)
U
11
Fatty Acid
0.81 (t), 1.20 (m), 2.24 (m)
C
12
Formate
8.46 (s)
U, C
13
Fumarate
6.52 (s)
C
14
Glutamate
2.10 (m), 2.35 (m), 3.78 (t)
C
15
Glutamine
2.11 (m), 2.44 (m), 3.77 (t)
C
16
Glutathione
2.54 (m), 2.95 (m), 4.56 (m)
C
17
Glycerol
4.07 (dd), 4.22 (dd), 5.19 (br)
C
18
Glycerophospholipid
3.86 (s), 5.13 (m)
C
19
Glycine
3.56 (s)
U, C
20
Hippurate
7.83 (d), 7.64 (t), 7.55 (t), 3.97 (d)
U
21
Inosine
8.22 (s), 8.33 (s)
C
22
Isoleucine
0.94 (t), 1.01 (d)
C
23
Lactate
1.33 (d), 4.12 (q)
U, C
24
Leucine
0.96 (d), 0.97 (d)
C
25
Methylamine
2.61 (s)
U
26
N,N-Dimethylglycine
2.92 (s)
U
27
NADP+
8.84 (d), 9.14 (d), 9.33 (s)
C
28
Phenylalanine
7.33 (d), 7.38 (t), 7.43 (m)
C
29
Phosphatidylcholine
3.23 (s), 3.67 (s), 4.32 (m)
C
30
Phosphocholine
3.20 (s)
C
31
Succinate
2.40 (s)
U
32
Taurine
3.25 (t), 3.42 (t)
U, C
33
Threonine
1.33 (d)
C
34
Trimethyamine N-oxide
3.26 (s)
U
35
Tyrosine
6.92 (d), 7.20 (d)
C
36
Unsaturated Fatty Acid
2.75 (m), 5.27 (br)
C
37
Uracil
5.79 (d), 7.52 (d)
C
38
Valine
0.99 (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.
