Table 2. Identified metabolites in 1H NMR spectra of aqueous thyroid tissue extracts.
| No | Metabolite | H group | δ 1H NMR (multiplicity*) |
|---|---|---|---|
| 1 | Isoleucine | α-CH; β-CH; β-CH 3; γ-CH2(i); γ-CH2(ii); δ-CH3 | 3.66 (d); 1.99 (m); 1.01 (d); 1.27 (m); 1.48 (m); 0.95 (t) |
| 2 | Valine | α-CH; β-CH; γ-CH3; γ'-CH 3 | 3.62 (d); 2.27 (m); 1.00 (d); 1.04 (d) |
| 3 | 3-Hydroxybutyrate | γ-CH3 | 1.19 (d) |
| 4 | Alanine | CH; CH 3 | 3.78 (q); 1.49 (d) |
| 5 | Acetate | CH3 | 1.93 (s) |
| 6 | NAC | NHCOOH3 | 2.02 (s) |
| 7 | Methionine | α-CH; β-CH2; γ-CH2; S-CH 3 | 3.87 (t); 2.15 (m); 2.65 (t); 2.14 (s) |
| 8 | Acetone | β-CH3 | 2.22 (s) |
| 9 | Glutamate | α-CH; β-CH2; γ-CH 2 | 3.77 (t); 2.08 (m); 2.36 (m) |
| 10 | Succinate | 2xCH2 | 2.41 (s) |
| 11 | Citrate | CH2 (i); CH 2 (ii) | 2.65 (d); 2.51 (d) |
| 12 | Creatine | N-CH 3; CH2 | 3.02 (s); 3.92 (s) |
| 13 | Choline | N-(CH3)3 | 3.18 (s) |
| 14 | PC | N-(CH3)3 | 3.19 (s) |
| 15 | GPC | N-(CH3)3 | 3.20 (s) |
| 16 | Scyllo-inositol | 6xCH | 3.34 (s) |
| 17 | Taurine | N-CH 2; SO3-CH2 | 3.43 (t); 3.28 (t) |
| 18 | Glycine | CH | 3.55 (s) |
| 19 | Myo-inositol | H5; H4,H6; H1,H3; H2 | 3.30 (t); 3.63 (dd); 3.52 (m); 4.08 () |
| 20 | Lactate | β-CH3; α-CH | 1.33 (d); 4.12 (q) |
| 21 | Threonine | α-CH; β-CH; γ-CH3 | 3.59 (d); 4.26 (m); 1.34 (d) |
| 22 | β-Glucose | H1; H2; H3; CH2 | 4.66 (d); 3.25 (dd); 3.48 (t); 3.90 (dd) |
| 23 | Tyrosine | 2,6-CH; 3,5-CH; α-CH; β-CH2 | 7.20 (d); 6.90 (d); 3.95 (dd); 3.20 (dd), 3.07 (dd) |
| 24 | Phenylalanine | 2,6-CH; 4-CH; 3,5-CH | 7.34 (m); 7.38 (m); 7.43 (m) |
| 25 | Uracil | 5-CH; 6-CH | 5.81 (d); 7.55 (d) |
| 26 | Hypoxanthine | 8-CH; 2-CH | 8.22 (s); 8.20 (s) |
| 27 | Formate | CH | 8.46 (s) |
| 28 | Histidine | 4-CH; 2-CH | 7.10 (s); 7.89 (s) |
* s, singlet; d, doublet; t, triplet; m, multiplet; q, quartet; dd, double doublet; NAC: N-acetylated compounds; PC: phosphocholine; GPC: glycerophosphocholine. Underlined signals were used for quantification.